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_test2-cb55d7fe/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/aptamer_test2-cb55d7fe/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_test2-cb55d7fe/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/aptamer_test2-cb55d7fe/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_test2-cb55d7fe/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/aptamer_test2-cb55d7fe/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_test2-cb55d7fe/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/aptamer_test2-cb55d7fe/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_test2-cb55d7fe/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/aptamer_test2-cb55d7fe/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_test2-cb55d7fe/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/aptamer_test2-cb55d7fe/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_test2-cb55d7fe/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/aptamer_test2-cb55d7fe/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_test2-cb55d7fe/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/aptamer_test2-cb55d7fe/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_test2-cb55d7fe/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/aptamer_test2-cb55d7fe/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_test2-cb55d7fe/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/aptamer_test2-cb55d7fe/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: -124.526730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.526730 (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: 0.000 (S_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: -124.526730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.526730 (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: 0.000 (S_DIST_RNA)
chem. 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: -124.526730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.526730 (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: 0.000 (S_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: -124.526730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.526730 (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: 0.000 (S_DIST_RNA)
chem. 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: -124.526730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.526730 (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: 0.000 (S_DIST_RNA)
chem. 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: -124.526730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.526730 (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: 0.000 (S_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: -124.526730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.526730 (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: 0.000 (S_DIST_RNA)
chem. 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: -124.526730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.526730 (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: 0.000 (S_DIST_RNA)
chem. 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: -124.526730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.526730 (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: 0.000 (S_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: -124.526730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.526730 (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: 0.000 (S_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: -193.494577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.494577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.494577 (E_RNA)
where:
Base-Base interactions energy: -91.717
where: short stacking energy: -62.207
Base-Backbone interact. energy: -0.524
local terms energy: -101.253170
where:
bonds (distance) C4'-P energy: -26.130
bonds (distance) P-C4' energy: -24.229
flat angles C4'-P-C4' energy: -20.761
flat angles P-C4'-P energy: -19.300
tors. eta vs tors. theta energy: -10.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -185.774138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.774138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.774138 (E_RNA)
where:
Base-Base interactions energy: -96.671
where: short stacking energy: -66.882
Base-Backbone interact. energy: -0.203
local terms energy: -88.900269
where:
bonds (distance) C4'-P energy: -21.452
bonds (distance) P-C4' energy: -20.586
flat angles C4'-P-C4' energy: -20.146
flat angles P-C4'-P energy: -12.375
tors. eta vs tors. theta energy: -14.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -178.238913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.238913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.238913 (E_RNA)
where:
Base-Base interactions energy: -77.075
where: short stacking energy: -59.587
Base-Backbone interact. energy: -0.145
local terms energy: -101.018248
where:
bonds (distance) C4'-P energy: -21.751
bonds (distance) P-C4' energy: -22.328
flat angles C4'-P-C4' energy: -25.029
flat angles P-C4'-P energy: -18.016
tors. eta vs tors. theta energy: -13.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -192.918617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.918617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.518617 (E_RNA)
where:
Base-Base interactions energy: -93.899
where: short stacking energy: -55.794
Base-Backbone interact. energy: -0.197
local terms energy: -84.422683
where:
bonds (distance) C4'-P energy: -22.097
bonds (distance) P-C4' energy: -23.564
flat angles C4'-P-C4' energy: -17.825
flat angles P-C4'-P energy: -13.209
tors. eta vs tors. theta energy: -7.728
Dist. restrs. and SS energy: -14.400 (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: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -181.748131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.748131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.548131 (E_RNA)
where:
Base-Base interactions energy: -80.657
where: short stacking energy: -50.473
Base-Backbone interact. energy: -0.636
local terms energy: -84.254617
where:
bonds (distance) C4'-P energy: -17.884
bonds (distance) P-C4' energy: -22.242
flat angles C4'-P-C4' energy: -16.432
flat angles P-C4'-P energy: -14.162
tors. eta vs tors. theta energy: -13.535
Dist. restrs. and SS energy: -16.200 (S_DIST_RNA)
chem. 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: -136.762323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.762323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.762323 (E_RNA)
where:
Base-Base interactions energy: -50.852
where: short stacking energy: -50.852
Base-Backbone interact. energy: -0.104
local terms energy: -85.806694
where:
bonds (distance) C4'-P energy: -21.196
bonds (distance) P-C4' energy: -26.171
flat angles C4'-P-C4' energy: -16.353
flat angles P-C4'-P energy: -16.629
tors. eta vs tors. theta energy: -5.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -159.472721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.472721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.472721 (E_RNA)
where:
Base-Base interactions energy: -71.925
where: short stacking energy: -33.792
Base-Backbone interact. energy: -0.489
local terms energy: -78.058846
where:
bonds (distance) C4'-P energy: -21.892
bonds (distance) P-C4' energy: -17.928
flat angles C4'-P-C4' energy: -23.574
flat angles P-C4'-P energy: -14.421
tors. eta vs tors. theta energy: -0.244
Dist. restrs. and SS energy: -9.000 (S_DIST_RNA)
chem. 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: -124.884558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.884558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.884558 (E_RNA)
where:
Base-Base interactions energy: -59.472
where: short stacking energy: -31.950
Base-Backbone interact. energy: -0.113
local terms energy: -65.299334
where:
bonds (distance) C4'-P energy: -20.207
bonds (distance) P-C4' energy: -20.364
flat angles C4'-P-C4' energy: -14.672
flat angles P-C4'-P energy: -8.145
tors. eta vs tors. theta energy: -1.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -124.712020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.712020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.712020 (E_RNA)
where:
Base-Base interactions energy: -45.515
where: short stacking energy: -36.178
Base-Backbone interact. energy: 1.090
local terms energy: -80.287553
where:
bonds (distance) C4'-P energy: -22.917
bonds (distance) P-C4' energy: -18.759
flat angles C4'-P-C4' energy: -20.814
flat angles P-C4'-P energy: -11.468
tors. eta vs tors. theta energy: -6.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -123.949768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.949768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.949768 (E_RNA)
where:
Base-Base interactions energy: -2.036
where: short stacking energy: -2.036
Base-Backbone interact. energy: -0.000
local terms energy: -121.913947
where:
bonds (distance) C4'-P energy: -31.946
bonds (distance) P-C4' energy: -30.411
flat angles C4'-P-C4' energy: -23.644
flat angles P-C4'-P energy: -27.679
tors. eta vs tors. theta energy: -8.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -213.953605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.953605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.953605 (E_RNA)
where:
Base-Base interactions energy: -113.884
where: short stacking energy: -72.370
Base-Backbone interact. energy: 6.435
local terms energy: -106.505143
where:
bonds (distance) C4'-P energy: -24.631
bonds (distance) P-C4' energy: -26.669
flat angles C4'-P-C4' energy: -21.683
flat angles P-C4'-P energy: -19.046
tors. eta vs tors. theta energy: -14.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -254.207777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.207777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.007777 (E_RNA)
where:
Base-Base interactions energy: -134.173
where: short stacking energy: -77.939
Base-Backbone interact. energy: -1.076
local terms energy: -111.757861
where:
bonds (distance) C4'-P energy: -21.784
bonds (distance) P-C4' energy: -24.619
flat angles C4'-P-C4' energy: -22.845
flat angles P-C4'-P energy: -16.213
tors. eta vs tors. theta energy: -26.297
Dist. restrs. and SS energy: -7.200 (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: 2
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -198.369842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.369842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.369842 (E_RNA)
where:
Base-Base interactions energy: -93.528
where: short stacking energy: -69.870
Base-Backbone interact. energy: 0.689
local terms energy: -105.530711
where:
bonds (distance) C4'-P energy: -25.117
bonds (distance) P-C4' energy: -23.204
flat angles C4'-P-C4' energy: -22.262
flat angles P-C4'-P energy: -14.111
tors. eta vs tors. theta energy: -20.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -198.839972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.839972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.639972 (E_RNA)
where:
Base-Base interactions energy: -88.443
where: short stacking energy: -43.388
Base-Backbone interact. energy: -0.570
local terms energy: -84.626806
where:
bonds (distance) C4'-P energy: -24.063
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -20.146
flat angles P-C4'-P energy: -14.689
tors. eta vs tors. theta energy: -8.191
Dist. restrs. and SS energy: -25.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -255.665295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.665295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.065295 (E_RNA)
where:
Base-Base interactions energy: -140.182
where: short stacking energy: -62.566
Base-Backbone interact. energy: -2.732
local terms energy: -91.150678
where:
bonds (distance) C4'-P energy: -20.306
bonds (distance) P-C4' energy: -19.504
flat angles C4'-P-C4' energy: -22.260
flat angles P-C4'-P energy: -15.145
tors. eta vs tors. theta energy: -13.936
Dist. restrs. and SS energy: -21.600 (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: 7
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -255.570889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.570889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.970889 (E_RNA)
where:
Base-Base interactions energy: -155.077
where: short stacking energy: -59.514
Base-Backbone interact. energy: -0.154
local terms energy: -78.739326
where:
bonds (distance) C4'-P energy: -18.972
bonds (distance) P-C4' energy: -20.385
flat angles C4'-P-C4' energy: -16.529
flat angles P-C4'-P energy: -12.513
tors. eta vs tors. theta energy: -10.340
Dist. restrs. and SS energy: -21.600 (S_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: -149.337105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.337105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.337105 (E_RNA)
where:
Base-Base interactions energy: -69.656
where: short stacking energy: -59.061
Base-Backbone interact. energy: -0.119
local terms energy: -79.562568
where:
bonds (distance) C4'-P energy: -15.152
bonds (distance) P-C4' energy: -19.122
flat angles C4'-P-C4' energy: -21.231
flat angles P-C4'-P energy: -11.783
tors. eta vs tors. theta energy: -12.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -132.514923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.514923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.514923 (E_RNA)
where:
Base-Base interactions energy: -62.504
where: short stacking energy: -58.839
Base-Backbone interact. energy: 0.398
local terms energy: -70.409780
where:
bonds (distance) C4'-P energy: -23.708
bonds (distance) P-C4' energy: -13.304
flat angles C4'-P-C4' energy: -16.253
flat angles P-C4'-P energy: -11.690
tors. eta vs tors. theta energy: -5.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -137.467763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.467763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.067763 (E_RNA)
where:
Base-Base interactions energy: -52.458
where: short stacking energy: -37.413
Base-Backbone interact. energy: -0.317
local terms energy: -79.292433
where:
bonds (distance) C4'-P energy: -17.833
bonds (distance) P-C4' energy: -24.268
flat angles C4'-P-C4' energy: -20.182
flat angles P-C4'-P energy: -10.777
tors. eta vs tors. theta energy: -6.232
Dist. restrs. and SS energy: -5.400 (S_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: -226.249806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.249806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.049806 (E_RNA)
where:
Base-Base interactions energy: -125.338
where: short stacking energy: -55.980
Base-Backbone interact. energy: -1.078
local terms energy: -65.633921
where:
bonds (distance) C4'-P energy: -17.313
bonds (distance) P-C4' energy: -19.367
flat angles C4'-P-C4' energy: -17.042
flat angles P-C4'-P energy: -5.525
tors. eta vs tors. theta energy: -6.388
Dist. restrs. and SS energy: -34.200 (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: 3
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -278.247090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.247090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.647090 (E_RNA)
where:
Base-Base interactions energy: -161.233
where: short stacking energy: -72.705
Base-Backbone interact. energy: -0.949
local terms energy: -94.465213
where:
bonds (distance) C4'-P energy: -19.033
bonds (distance) P-C4' energy: -22.956
flat angles C4'-P-C4' energy: -22.503
flat angles P-C4'-P energy: -15.594
tors. eta vs tors. theta energy: -14.379
Dist. restrs. and SS energy: -21.600 (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: 1
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -207.299345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.299345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.299345 (E_RNA)
where:
Base-Base interactions energy: -96.759
where: short stacking energy: -64.225
Base-Backbone interact. energy: -0.047
local terms energy: -110.492579
where:
bonds (distance) C4'-P energy: -21.624
bonds (distance) P-C4' energy: -26.315
flat angles C4'-P-C4' energy: -21.190
flat angles P-C4'-P energy: -21.283
tors. eta vs tors. theta energy: -20.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -198.393499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.393499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.793499 (E_RNA)
where:
Base-Base interactions energy: -95.471
where: short stacking energy: -62.626
Base-Backbone interact. energy: -0.049
local terms energy: -90.274027
where:
bonds (distance) C4'-P energy: -19.250
bonds (distance) P-C4' energy: -22.409
flat angles C4'-P-C4' energy: -20.882
flat angles P-C4'-P energy: -14.397
tors. eta vs tors. theta energy: -13.336
Dist. restrs. and SS energy: -12.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -248.200299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.200299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.600299 (E_RNA)
where:
Base-Base interactions energy: -133.174
where: short stacking energy: -61.166
Base-Backbone interact. energy: 2.881
local terms energy: -87.306512
where:
bonds (distance) C4'-P energy: -22.081
bonds (distance) P-C4' energy: -23.402
flat angles C4'-P-C4' energy: -21.426
flat angles P-C4'-P energy: -11.766
tors. eta vs tors. theta energy: -8.632
Dist. restrs. and SS energy: -30.600 (S_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: -304.561002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.561002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.961002 (E_RNA)
where:
Base-Base interactions energy: -182.313
where: short stacking energy: -68.562
Base-Backbone interact. energy: 2.102
local terms energy: -93.750063
where:
bonds (distance) C4'-P energy: -22.463
bonds (distance) P-C4' energy: -22.468
flat angles C4'-P-C4' energy: -19.680
flat angles P-C4'-P energy: -18.144
tors. eta vs tors. theta energy: -10.995
Dist. restrs. and SS energy: -30.600 (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: 4
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -257.803725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.803725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.203725 (E_RNA)
where:
Base-Base interactions energy: -141.520
where: short stacking energy: -60.874
Base-Backbone interact. energy: 0.238
local terms energy: -94.921640
where:
bonds (distance) C4'-P energy: -24.288
bonds (distance) P-C4' energy: -23.356
flat angles C4'-P-C4' energy: -21.306
flat angles P-C4'-P energy: -12.206
tors. eta vs tors. theta energy: -13.765
Dist. restrs. and SS energy: -21.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -193.834656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.834656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.434656 (E_RNA)
where:
Base-Base interactions energy: -108.575
where: short stacking energy: -50.154
Base-Backbone interact. energy: -0.386
local terms energy: -61.473825
where:
bonds (distance) C4'-P energy: -19.018
bonds (distance) P-C4' energy: -12.930
flat angles C4'-P-C4' energy: -20.060
flat angles P-C4'-P energy: -7.759
tors. eta vs tors. theta energy: -1.707
Dist. restrs. and SS energy: -23.400 (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: 6
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -127.393818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.393818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.393818 (E_RNA)
where:
Base-Base interactions energy: -40.606
where: short stacking energy: -27.121
Base-Backbone interact. energy: -0.352
local terms energy: -86.435828
where:
bonds (distance) C4'-P energy: -22.960
bonds (distance) P-C4' energy: -25.844
flat angles C4'-P-C4' energy: -23.383
flat angles P-C4'-P energy: -13.979
tors. eta vs tors. theta energy: -0.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -251.060776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.060776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.060776 (E_RNA)
where:
Base-Base interactions energy: -148.456
where: short stacking energy: -60.437
Base-Backbone interact. energy: -0.254
local terms energy: -66.350855
where:
bonds (distance) C4'-P energy: -13.980
bonds (distance) P-C4' energy: -20.542
flat angles C4'-P-C4' energy: -13.740
flat angles P-C4'-P energy: -10.263
tors. eta vs tors. theta energy: -7.826
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -198.448330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.448330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.648330 (E_RNA)
where:
Base-Base interactions energy: -96.927
where: short stacking energy: -48.487
Base-Backbone interact. energy: -0.111
local terms energy: -72.610304
where:
bonds (distance) C4'-P energy: -13.484
bonds (distance) P-C4' energy: -23.127
flat angles C4'-P-C4' energy: -15.370
flat angles P-C4'-P energy: -12.668
tors. eta vs tors. theta energy: -7.963
Dist. restrs. and SS energy: -28.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -303.193495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.193495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.593495 (E_RNA)
where:
Base-Base interactions energy: -181.903
where: short stacking energy: -71.839
Base-Backbone interact. energy: 1.016
local terms energy: -91.706502
where:
bonds (distance) C4'-P energy: -21.200
bonds (distance) P-C4' energy: -19.234
flat angles C4'-P-C4' energy: -27.698
flat angles P-C4'-P energy: -10.738
tors. eta vs tors. theta energy: -12.836
Dist. restrs. and SS energy: -30.600 (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: 1
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -219.916144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.916144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.316144 (E_RNA)
where:
Base-Base interactions energy: -117.853
where: short stacking energy: -65.303
Base-Backbone interact. energy: 0.077
local terms energy: -89.540318
where:
bonds (distance) C4'-P energy: -17.017
bonds (distance) P-C4' energy: -23.504
flat angles C4'-P-C4' energy: -22.496
flat angles P-C4'-P energy: -18.178
tors. eta vs tors. theta energy: -8.345
Dist. restrs. and SS energy: -12.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -248.817420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.817420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.417420 (E_RNA)
where:
Base-Base interactions energy: -149.416
where: short stacking energy: -68.694
Base-Backbone interact. energy: -0.066
local terms energy: -75.935427
where:
bonds (distance) C4'-P energy: -18.315
bonds (distance) P-C4' energy: -24.569
flat angles C4'-P-C4' energy: -15.994
flat angles P-C4'-P energy: -4.400
tors. eta vs tors. theta energy: -12.657
Dist. restrs. and SS energy: -23.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -329.854984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.854984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.454984 (E_RNA)
where:
Base-Base interactions energy: -200.881
where: short stacking energy: -71.567
Base-Backbone interact. energy: 0.223
local terms energy: -96.797732
where:
bonds (distance) C4'-P energy: -22.028
bonds (distance) P-C4' energy: -23.762
flat angles C4'-P-C4' energy: -24.412
flat angles P-C4'-P energy: -11.554
tors. eta vs tors. theta energy: -15.042
Dist. restrs. and SS energy: -32.400 (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: 5
Temperature: 1.100000
Total energy: -253.320969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.320969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.920969 (E_RNA)
where:
Base-Base interactions energy: -132.895
where: short stacking energy: -46.927
Base-Backbone interact. energy: -0.719
local terms energy: -87.307711
where:
bonds (distance) C4'-P energy: -23.188
bonds (distance) P-C4' energy: -23.915
flat angles C4'-P-C4' energy: -20.656
flat angles P-C4'-P energy: -8.864
tors. eta vs tors. theta energy: -10.685
Dist. restrs. and SS energy: -32.400 (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: 4
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -276.580401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.580401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.980401 (E_RNA)
where:
Base-Base interactions energy: -170.546
where: short stacking energy: -68.599
Base-Backbone interact. energy: -0.579
local terms energy: -83.855768
where:
bonds (distance) C4'-P energy: -23.870
bonds (distance) P-C4' energy: -13.309
flat angles C4'-P-C4' energy: -17.359
flat angles P-C4'-P energy: -14.007
tors. eta vs tors. theta energy: -15.311
Dist. restrs. and SS energy: -21.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -214.637556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.637556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.037556 (E_RNA)
where:
Base-Base interactions energy: -106.410
where: short stacking energy: -60.340
Base-Backbone interact. energy: -0.662
local terms energy: -76.965919
where:
bonds (distance) C4'-P energy: -12.860
bonds (distance) P-C4' energy: -24.631
flat angles C4'-P-C4' energy: -12.281
flat angles P-C4'-P energy: -13.787
tors. eta vs tors. theta energy: -13.407
Dist. restrs. and SS energy: -30.600 (S_DIST_RNA)
chem. 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: -254.294307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.294307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.294307 (E_RNA)
where:
Base-Base interactions energy: -141.049
where: short stacking energy: -70.569
Base-Backbone interact. energy: -0.045
local terms energy: -77.199732
where:
bonds (distance) C4'-P energy: -13.238
bonds (distance) P-C4' energy: -21.358
flat angles C4'-P-C4' energy: -19.808
flat angles P-C4'-P energy: -10.685
tors. eta vs tors. theta energy: -12.111
Dist. restrs. and SS energy: -36.000 (S_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: 5
Temperature: 1.300000
Total energy: -108.691773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.691773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.691773 (E_RNA)
where:
Base-Base interactions energy: -37.318
where: short stacking energy: -29.561
Base-Backbone interact. energy: -0.247
local terms energy: -71.127395
where:
bonds (distance) C4'-P energy: -19.761
bonds (distance) P-C4' energy: -25.391
flat angles C4'-P-C4' energy: -20.841
flat angles P-C4'-P energy: -8.856
tors. eta vs tors. theta energy: 3.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -219.608652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.608652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.608652 (E_RNA)
where:
Base-Base interactions energy: -117.914
where: short stacking energy: -52.465
Base-Backbone interact. energy: 0.129
local terms energy: -65.823664
where:
bonds (distance) C4'-P energy: -14.799
bonds (distance) P-C4' energy: -18.940
flat angles C4'-P-C4' energy: -19.907
flat angles P-C4'-P energy: -5.462
tors. eta vs tors. theta energy: -6.715
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. 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: -316.255828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.255828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.455828 (E_RNA)
where:
Base-Base interactions energy: -187.310
where: short stacking energy: -69.316
Base-Backbone interact. energy: -0.770
local terms energy: -90.376634
where:
bonds (distance) C4'-P energy: -21.435
bonds (distance) P-C4' energy: -24.245
flat angles C4'-P-C4' energy: -21.785
flat angles P-C4'-P energy: -10.538
tors. eta vs tors. theta energy: -12.374
Dist. restrs. and SS energy: -37.800 (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: 1
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -217.775904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.775904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.375904 (E_RNA)
where:
Base-Base interactions energy: -114.856
where: short stacking energy: -64.333
Base-Backbone interact. energy: -0.375
local terms energy: -88.144501
where:
bonds (distance) C4'-P energy: -20.467
bonds (distance) P-C4' energy: -18.584
flat angles C4'-P-C4' energy: -25.231
flat angles P-C4'-P energy: -13.023
tors. eta vs tors. theta energy: -10.840
Dist. restrs. and SS energy: -14.400 (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: 7
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -316.376554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.376554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.576554 (E_RNA)
where:
Base-Base interactions energy: -188.505
where: short stacking energy: -75.983
Base-Backbone interact. energy: 0.627
local terms energy: -99.699266
where:
bonds (distance) C4'-P energy: -21.423
bonds (distance) P-C4' energy: -20.966
flat angles C4'-P-C4' energy: -23.511
flat angles P-C4'-P energy: -17.271
tors. eta vs tors. theta energy: -16.527
Dist. restrs. and SS energy: -28.800 (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: 5
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -246.135308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.135308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.335308 (E_RNA)
where:
Base-Base interactions energy: -136.984
where: short stacking energy: -77.083
Base-Backbone interact. energy: -0.126
local terms energy: -89.224768
where:
bonds (distance) C4'-P energy: -20.306
bonds (distance) P-C4' energy: -25.070
flat angles C4'-P-C4' energy: -14.786
flat angles P-C4'-P energy: -13.759
tors. eta vs tors. theta energy: -15.304
Dist. restrs. and SS energy: -19.800 (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: 4
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -322.174709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.174709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.374709 (E_RNA)
where:
Base-Base interactions energy: -203.449
where: short stacking energy: -83.920
Base-Backbone interact. energy: -0.494
local terms energy: -89.431588
where:
bonds (distance) C4'-P energy: -20.352
bonds (distance) P-C4' energy: -20.740
flat angles C4'-P-C4' energy: -14.568
flat angles P-C4'-P energy: -14.481
tors. eta vs tors. theta energy: -19.290
Dist. restrs. and SS energy: -28.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -260.062717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.062717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.862717 (E_RNA)
where:
Base-Base interactions energy: -147.894
where: short stacking energy: -58.393
Base-Backbone interact. energy: -0.586
local terms energy: -77.382659
where:
bonds (distance) C4'-P energy: -22.491
bonds (distance) P-C4' energy: -20.667
flat angles C4'-P-C4' energy: -14.583
flat angles P-C4'-P energy: -13.066
tors. eta vs tors. theta energy: -6.576
Dist. restrs. and SS energy: -34.200 (S_DIST_RNA)
chem. 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: -271.092265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.092265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.892265 (E_RNA)
where:
Base-Base interactions energy: -143.139
where: short stacking energy: -64.139
Base-Backbone interact. energy: -0.828
local terms energy: -83.925253
where:
bonds (distance) C4'-P energy: -22.876
bonds (distance) P-C4' energy: -16.154
flat angles C4'-P-C4' energy: -20.689
flat angles P-C4'-P energy: -14.532
tors. eta vs tors. theta energy: -9.673
Dist. restrs. and SS energy: -43.200 (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: 8
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -202.288987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.288987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.288987 (E_RNA)
where:
Base-Base interactions energy: -98.338
where: short stacking energy: -38.035
Base-Backbone interact. energy: -1.082
local terms energy: -66.868299
where:
bonds (distance) C4'-P energy: -23.038
bonds (distance) P-C4' energy: -20.847
flat angles C4'-P-C4' energy: -11.145
flat angles P-C4'-P energy: -9.883
tors. eta vs tors. theta energy: -1.956
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -269.094644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.094644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.094644 (E_RNA)
where:
Base-Base interactions energy: -169.926
where: short stacking energy: -77.077
Base-Backbone interact. energy: 1.871
local terms energy: -65.039949
where:
bonds (distance) C4'-P energy: -9.823
bonds (distance) P-C4' energy: -21.985
flat angles C4'-P-C4' energy: -14.908
flat angles P-C4'-P energy: -5.777
tors. eta vs tors. theta energy: -12.548
Dist. restrs. and SS energy: -36.000 (S_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: 6
Temperature: 1.350000
Total energy: -106.707747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.707747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.707747 (E_RNA)
where:
Base-Base interactions energy: -37.785
where: short stacking energy: -35.911
Base-Backbone interact. energy: -0.694
local terms energy: -68.228779
where:
bonds (distance) C4'-P energy: -24.370
bonds (distance) P-C4' energy: -18.711
flat angles C4'-P-C4' energy: -17.164
flat angles P-C4'-P energy: -6.696
tors. eta vs tors. theta energy: -1.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -322.061726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.061726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.661726 (E_RNA)
where:
Base-Base interactions energy: -186.489
where: short stacking energy: -66.816
Base-Backbone interact. energy: -1.371
local terms energy: -101.801581
where:
bonds (distance) C4'-P energy: -20.574
bonds (distance) P-C4' energy: -24.334
flat angles C4'-P-C4' energy: -24.656
flat angles P-C4'-P energy: -16.504
tors. eta vs tors. theta energy: -15.733
Dist. restrs. and SS energy: -32.400 (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: 7
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -350.965909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.965909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.365909 (E_RNA)
where:
Base-Base interactions energy: -215.093
where: short stacking energy: -83.982
Base-Backbone interact. energy: 0.753
local terms energy: -106.026403
where:
bonds (distance) C4'-P energy: -25.365
bonds (distance) P-C4' energy: -25.552
flat angles C4'-P-C4' energy: -25.032
flat angles P-C4'-P energy: -11.193
tors. eta vs tors. theta energy: -18.884
Dist. restrs. and SS energy: -30.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -223.306332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.306332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.506332 (E_RNA)
where:
Base-Base interactions energy: -120.290
where: short stacking energy: -62.609
Base-Backbone interact. energy: -0.052
local terms energy: -92.164752
where:
bonds (distance) C4'-P energy: -18.613
bonds (distance) P-C4' energy: -20.939
flat angles C4'-P-C4' energy: -24.658
flat angles P-C4'-P energy: -16.834
tors. eta vs tors. theta energy: -11.121
Dist. restrs. and SS energy: -10.800 (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: 4
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -324.873899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.873899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.073899 (E_RNA)
where:
Base-Base interactions energy: -199.840
where: short stacking energy: -89.478
Base-Backbone interact. energy: 1.452
local terms energy: -97.685886
where:
bonds (distance) C4'-P energy: -23.546
bonds (distance) P-C4' energy: -19.405
flat angles C4'-P-C4' energy: -21.144
flat angles P-C4'-P energy: -12.040
tors. eta vs tors. theta energy: -21.551
Dist. restrs. and SS energy: -28.800 (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: 7
Temperature: 1.100000
Total energy: -240.998777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.998777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.398777 (E_RNA)
where:
Base-Base interactions energy: -131.617
where: short stacking energy: -69.434
Base-Backbone interact. energy: 2.561
local terms energy: -90.342705
where:
bonds (distance) C4'-P energy: -23.488
bonds (distance) P-C4' energy: -25.451
flat angles C4'-P-C4' energy: -15.895
flat angles P-C4'-P energy: -13.711
tors. eta vs tors. theta energy: -11.798
Dist. restrs. and SS energy: -21.600 (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: 10
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -280.063217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.063217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.863217 (E_RNA)
where:
Base-Base interactions energy: -155.214
where: short stacking energy: -56.305
Base-Backbone interact. energy: 0.362
local terms energy: -82.011219
where:
bonds (distance) C4'-P energy: -20.024
bonds (distance) P-C4' energy: -17.818
flat angles C4'-P-C4' energy: -19.808
flat angles P-C4'-P energy: -15.419
tors. eta vs tors. theta energy: -8.942
Dist. restrs. and SS energy: -43.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -243.995068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.995068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.995068 (E_RNA)
where:
Base-Base interactions energy: -128.335
where: short stacking energy: -53.463
Base-Backbone interact. energy: 3.408
local terms energy: -92.067978
where:
bonds (distance) C4'-P energy: -19.147
bonds (distance) P-C4' energy: -23.178
flat angles C4'-P-C4' energy: -23.007
flat angles P-C4'-P energy: -14.636
tors. eta vs tors. theta energy: -12.099
Dist. restrs. and SS energy: -27.000 (S_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: 7
Temperature: 1.250000
Total energy: -275.004639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.004639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.204639 (E_RNA)
where:
Base-Base interactions energy: -166.200
where: short stacking energy: -80.060
Base-Backbone interact. energy: -1.059
local terms energy: -78.945983
where:
bonds (distance) C4'-P energy: -20.678
bonds (distance) P-C4' energy: -19.003
flat angles C4'-P-C4' energy: -18.170
flat angles P-C4'-P energy: -6.358
tors. eta vs tors. theta energy: -14.737
Dist. restrs. and SS energy: -28.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -210.449930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.449930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.249930 (E_RNA)
where:
Base-Base interactions energy: -108.534
where: short stacking energy: -48.193
Base-Backbone interact. energy: 0.706
local terms energy: -68.421946
where:
bonds (distance) C4'-P energy: -16.870
bonds (distance) P-C4' energy: -18.505
flat angles C4'-P-C4' energy: -16.053
flat angles P-C4'-P energy: -13.244
tors. eta vs tors. theta energy: -3.750
Dist. restrs. and SS energy: -34.200 (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: 6
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -114.344600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.344600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.544600 (E_RNA)
where:
Base-Base interactions energy: -47.672
where: short stacking energy: -40.795
Base-Backbone interact. energy: -0.667
local terms energy: -64.205394
where:
bonds (distance) C4'-P energy: -18.533
bonds (distance) P-C4' energy: -14.703
flat angles C4'-P-C4' energy: -21.013
flat angles P-C4'-P energy: -8.476
tors. eta vs tors. theta energy: -1.481
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: 1, replica: 7
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -365.122737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.122737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.722737 (E_RNA)
where:
Base-Base interactions energy: -230.849
where: short stacking energy: -83.558
Base-Backbone interact. energy: 1.607
local terms energy: -103.480882
where:
bonds (distance) C4'-P energy: -23.774
bonds (distance) P-C4' energy: -24.708
flat angles C4'-P-C4' energy: -21.666
flat angles P-C4'-P energy: -15.730
tors. eta vs tors. theta energy: -17.603
Dist. restrs. and SS energy: -32.400 (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: 8
Temperature: 0.950000
Total energy: -336.260631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.260631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.460631 (E_RNA)
where:
Base-Base interactions energy: -207.167
where: short stacking energy: -63.103
Base-Backbone interact. energy: -0.847
local terms energy: -90.446563
where:
bonds (distance) C4'-P energy: -22.421
bonds (distance) P-C4' energy: -21.284
flat angles C4'-P-C4' energy: -21.665
flat angles P-C4'-P energy: -8.307
tors. eta vs tors. theta energy: -16.770
Dist. restrs. and SS energy: -37.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -334.263328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.263328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.463328 (E_RNA)
where:
Base-Base interactions energy: -197.229
where: short stacking energy: -86.829
Base-Backbone interact. energy: -0.160
local terms energy: -108.074650
where:
bonds (distance) C4'-P energy: -22.575
bonds (distance) P-C4' energy: -23.981
flat angles C4'-P-C4' energy: -23.753
flat angles P-C4'-P energy: -12.686
tors. eta vs tors. theta energy: -25.080
Dist. restrs. and SS energy: -28.800 (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: 1
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -221.475287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.475287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.875287 (E_RNA)
where:
Base-Base interactions energy: -111.389
where: short stacking energy: -59.051
Base-Backbone interact. energy: -0.701
local terms energy: -96.785103
where:
bonds (distance) C4'-P energy: -23.597
bonds (distance) P-C4' energy: -25.648
flat angles C4'-P-C4' energy: -19.308
flat angles P-C4'-P energy: -15.447
tors. eta vs tors. theta energy: -12.785
Dist. restrs. and SS energy: -12.600 (S_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: -295.182431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.182431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.382431 (E_RNA)
where:
Base-Base interactions energy: -166.839
where: short stacking energy: -76.783
Base-Backbone interact. energy: -0.161
local terms energy: -90.382716
where:
bonds (distance) C4'-P energy: -20.661
bonds (distance) P-C4' energy: -23.060
flat angles C4'-P-C4' energy: -17.420
flat angles P-C4'-P energy: -13.841
tors. eta vs tors. theta energy: -15.401
Dist. restrs. and SS energy: -37.800 (S_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: 8
Temperature: 1.150000
Total energy: -230.245445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.245445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.645445 (E_RNA)
where:
Base-Base interactions energy: -136.607
where: short stacking energy: -53.144
Base-Backbone interact. energy: -0.582
local terms energy: -71.456176
where:
bonds (distance) C4'-P energy: -18.902
bonds (distance) P-C4' energy: -20.990
flat angles C4'-P-C4' energy: -18.141
flat angles P-C4'-P energy: -6.472
tors. eta vs tors. theta energy: -6.951
Dist. restrs. and SS energy: -21.600 (S_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: 8
Temperature: 1.200000
Total energy: -280.160003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.160003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.160003 (E_RNA)
where:
Base-Base interactions energy: -147.480
where: short stacking energy: -74.152
Base-Backbone interact. energy: -0.284
local terms energy: -96.396378
where:
bonds (distance) C4'-P energy: -20.209
bonds (distance) P-C4' energy: -21.507
flat angles C4'-P-C4' energy: -22.682
flat angles P-C4'-P energy: -16.509
tors. eta vs tors. theta energy: -15.489
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -244.233562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.233562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.433562 (E_RNA)
where:
Base-Base interactions energy: -142.351
where: short stacking energy: -61.450
Base-Backbone interact. energy: -0.572
local terms energy: -72.510466
where:
bonds (distance) C4'-P energy: -12.357
bonds (distance) P-C4' energy: -24.507
flat angles C4'-P-C4' energy: -18.085
flat angles P-C4'-P energy: -8.648
tors. eta vs tors. theta energy: -8.913
Dist. restrs. and SS energy: -28.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -225.100995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.100995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.300995 (E_RNA)
where:
Base-Base interactions energy: -129.781
where: short stacking energy: -55.031
Base-Backbone interact. energy: 3.680
local terms energy: -70.200040
where:
bonds (distance) C4'-P energy: -12.633
bonds (distance) P-C4' energy: -24.434
flat angles C4'-P-C4' energy: -16.205
flat angles P-C4'-P energy: -11.796
tors. eta vs tors. theta energy: -5.133
Dist. restrs. and SS energy: -28.800 (S_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: 8
Temperature: 1.350000
Total energy: -134.178271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.178271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.378271 (E_RNA)
where:
Base-Base interactions energy: -54.634
where: short stacking energy: -24.924
Base-Backbone interact. energy: -0.520
local terms energy: -59.224552
where:
bonds (distance) C4'-P energy: -23.689
bonds (distance) P-C4' energy: -19.724
flat angles C4'-P-C4' energy: -12.719
flat angles P-C4'-P energy: -8.274
tors. eta vs tors. theta energy: 5.180
Dist. restrs. and SS energy: -19.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -370.061969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.061969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.461969 (E_RNA)
where:
Base-Base interactions energy: -231.829
where: short stacking energy: -90.333
Base-Backbone interact. energy: 1.375
local terms energy: -109.007994
where:
bonds (distance) C4'-P energy: -24.990
bonds (distance) P-C4' energy: -22.125
flat angles C4'-P-C4' energy: -28.387
flat angles P-C4'-P energy: -11.057
tors. eta vs tors. theta energy: -22.448
Dist. restrs. and SS energy: -30.600 (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: 3
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -348.711593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.711593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.111593 (E_RNA)
where:
Base-Base interactions energy: -206.949
where: short stacking energy: -69.940
Base-Backbone interact. energy: -1.453
local terms energy: -100.709427
where:
bonds (distance) C4'-P energy: -23.484
bonds (distance) P-C4' energy: -23.243
flat angles C4'-P-C4' energy: -20.880
flat angles P-C4'-P energy: -13.624
tors. eta vs tors. theta energy: -19.478
Dist. restrs. and SS energy: -39.600 (S_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: 9
Temperature: 1.000000
Total energy: -344.418484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.418484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.818484 (E_RNA)
where:
Base-Base interactions energy: -225.780
where: short stacking energy: -100.798
Base-Backbone interact. energy: -1.018
local terms energy: -96.020818
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -20.339
flat angles C4'-P-C4' energy: -20.249
flat angles P-C4'-P energy: -9.337
tors. eta vs tors. theta energy: -25.694
Dist. restrs. and SS energy: -21.600 (S_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: -301.527696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.527696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.527696 (E_RNA)
where:
Base-Base interactions energy: -162.238
where: short stacking energy: -79.930
Base-Backbone interact. energy: -0.215
local terms energy: -103.075525
where:
bonds (distance) C4'-P energy: -22.728
bonds (distance) P-C4' energy: -23.597
flat angles C4'-P-C4' energy: -24.239
flat angles P-C4'-P energy: -16.345
tors. eta vs tors. theta energy: -16.167
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -215.933429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.933429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.733429 (E_RNA)
where:
Base-Base interactions energy: -124.125
where: short stacking energy: -50.547
Base-Backbone interact. energy: -0.626
local terms energy: -74.982673
where:
bonds (distance) C4'-P energy: -21.962
bonds (distance) P-C4' energy: -23.142
flat angles C4'-P-C4' energy: -11.970
flat angles P-C4'-P energy: -13.892
tors. eta vs tors. theta energy: -4.016
Dist. restrs. and SS energy: -16.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -293.556448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.556448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.156448 (E_RNA)
where:
Base-Base interactions energy: -170.433
where: short stacking energy: -82.972
Base-Backbone interact. energy: -0.328
local terms energy: -90.396096
where:
bonds (distance) C4'-P energy: -18.909
bonds (distance) P-C4' energy: -22.420
flat angles C4'-P-C4' energy: -25.096
flat angles P-C4'-P energy: -9.992
tors. eta vs tors. theta energy: -13.979
Dist. restrs. and SS energy: -32.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -263.524877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.524877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.324877 (E_RNA)
where:
Base-Base interactions energy: -159.763
where: short stacking energy: -66.392
Base-Backbone interact. energy: -0.280
local terms energy: -78.281852
where:
bonds (distance) C4'-P energy: -17.222
bonds (distance) P-C4' energy: -20.672
flat angles C4'-P-C4' energy: -18.934
flat angles P-C4'-P energy: -11.138
tors. eta vs tors. theta energy: -10.314
Dist. restrs. and SS energy: -25.200 (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: 2
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -253.042030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.042030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.842030 (E_RNA)
where:
Base-Base interactions energy: -146.770
where: short stacking energy: -72.920
Base-Backbone interact. energy: 0.573
local terms energy: -81.645064
where:
bonds (distance) C4'-P energy: -15.711
bonds (distance) P-C4' energy: -20.340
flat angles C4'-P-C4' energy: -20.056
flat angles P-C4'-P energy: -9.690
tors. eta vs tors. theta energy: -15.847
Dist. restrs. and SS energy: -25.200 (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: 9
Temperature: 1.300000
Total energy: -254.016566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.016566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.416566 (E_RNA)
where:
Base-Base interactions energy: -140.445
where: short stacking energy: -63.920
Base-Backbone interact. energy: -0.214
local terms energy: -82.757225
where:
bonds (distance) C4'-P energy: -19.928
bonds (distance) P-C4' energy: -11.401
flat angles C4'-P-C4' energy: -19.613
flat angles P-C4'-P energy: -14.137
tors. eta vs tors. theta energy: -17.678
Dist. restrs. and SS energy: -30.600 (S_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: 9
Temperature: 1.350000
Total energy: -170.102741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.102741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.702741 (E_RNA)
where:
Base-Base interactions energy: -69.283
where: short stacking energy: -33.198
Base-Backbone interact. energy: -0.783
local terms energy: -76.636421
where:
bonds (distance) C4'-P energy: -24.131
bonds (distance) P-C4' energy: -19.151
flat angles C4'-P-C4' energy: -19.055
flat angles P-C4'-P energy: -7.785
tors. eta vs tors. theta energy: -6.514
Dist. restrs. and SS energy: -23.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -372.124578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.124578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.924578 (E_RNA)
where:
Base-Base interactions energy: -234.344
where: short stacking energy: -91.886
Base-Backbone interact. energy: 2.124
local terms energy: -105.704345
where:
bonds (distance) C4'-P energy: -26.316
bonds (distance) P-C4' energy: -23.224
flat angles C4'-P-C4' energy: -21.453
flat angles P-C4'-P energy: -17.732
tors. eta vs tors. theta energy: -16.978
Dist. restrs. and SS energy: -34.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -350.610177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.610177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.210177 (E_RNA)
where:
Base-Base interactions energy: -215.981
where: short stacking energy: -76.490
Base-Backbone interact. energy: -0.596
local terms energy: -92.632560
where:
bonds (distance) C4'-P energy: -18.463
bonds (distance) P-C4' energy: -19.313
flat angles C4'-P-C4' energy: -16.710
flat angles P-C4'-P energy: -15.038
tors. eta vs tors. theta energy: -23.109
Dist. restrs. and SS energy: -41.400 (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: 10
Temperature: 1.000000
Total energy: -341.626214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.626214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.826214 (E_RNA)
where:
Base-Base interactions energy: -209.632
where: short stacking energy: -102.231
Base-Backbone interact. energy: -0.498
local terms energy: -102.695710
where:
bonds (distance) C4'-P energy: -14.482
bonds (distance) P-C4' energy: -25.001
flat angles C4'-P-C4' energy: -23.408
flat angles P-C4'-P energy: -12.216
tors. eta vs tors. theta energy: -27.590
Dist. restrs. and SS energy: -28.800 (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: 10
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -291.180288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.180288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.180288 (E_RNA)
where:
Base-Base interactions energy: -164.419
where: short stacking energy: -72.660
Base-Backbone interact. energy: -0.275
local terms energy: -90.485941
where:
bonds (distance) C4'-P energy: -18.086
bonds (distance) P-C4' energy: -22.256
flat angles C4'-P-C4' energy: -21.464
flat angles P-C4'-P energy: -12.504
tors. eta vs tors. theta energy: -16.176
Dist. restrs. and SS energy: -36.000 (S_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: 10
Temperature: 1.100000
Total energy: -290.941117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.941117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.741117 (E_RNA)
where:
Base-Base interactions energy: -163.582
where: short stacking energy: -68.621
Base-Backbone interact. energy: -0.204
local terms energy: -92.954953
where:
bonds (distance) C4'-P energy: -21.600
bonds (distance) P-C4' energy: -18.750
flat angles C4'-P-C4' energy: -24.354
flat angles P-C4'-P energy: -13.049
tors. eta vs tors. theta energy: -15.202
Dist. restrs. and SS energy: -34.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -220.817860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.817860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.017860 (E_RNA)
where:
Base-Base interactions energy: -125.575
where: short stacking energy: -52.302
Base-Backbone interact. energy: -0.883
local terms energy: -83.559469
where:
bonds (distance) C4'-P energy: -21.679
bonds (distance) P-C4' energy: -20.301
flat angles C4'-P-C4' energy: -14.107
flat angles P-C4'-P energy: -15.054
tors. eta vs tors. theta energy: -12.418
Dist. restrs. and SS energy: -10.800 (S_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: 10
Temperature: 1.200000
Total energy: -271.731885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.731885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.531885 (E_RNA)
where:
Base-Base interactions energy: -158.033
where: short stacking energy: -61.193
Base-Backbone interact. energy: -0.174
local terms energy: -79.324598
where:
bonds (distance) C4'-P energy: -19.725
bonds (distance) P-C4' energy: -19.747
flat angles C4'-P-C4' energy: -18.152
flat angles P-C4'-P energy: -16.488
tors. eta vs tors. theta energy: -5.213
Dist. restrs. and SS energy: -34.200 (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: 10
Temperature: 1.250000
Total energy: -224.451697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.451697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.651697 (E_RNA)
where:
Base-Base interactions energy: -122.494
where: short stacking energy: -56.146
Base-Backbone interact. energy: -0.185
local terms energy: -81.972868
where:
bonds (distance) C4'-P energy: -19.216
bonds (distance) P-C4' energy: -23.171
flat angles C4'-P-C4' energy: -19.960
flat angles P-C4'-P energy: -9.871
tors. eta vs tors. theta energy: -9.756
Dist. restrs. and SS energy: -19.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -261.706898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.706898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.706898 (E_RNA)
where:
Base-Base interactions energy: -148.114
where: short stacking energy: -66.555
Base-Backbone interact. energy: -1.037
local terms energy: -76.555917
where:
bonds (distance) C4'-P energy: -19.414
bonds (distance) P-C4' energy: -17.938
flat angles C4'-P-C4' energy: -18.141
flat angles P-C4'-P energy: -13.152
tors. eta vs tors. theta energy: -7.910
Dist. restrs. and SS energy: -36.000 (S_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: 10
Temperature: 1.350000
Total energy: -139.587472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.587472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.587472 (E_RNA)
where:
Base-Base interactions energy: -55.006
where: short stacking energy: -17.844
Base-Backbone interact. energy: -0.489
local terms energy: -57.093073
where:
bonds (distance) C4'-P energy: -17.937
bonds (distance) P-C4' energy: -17.427
flat angles C4'-P-C4' energy: -11.939
flat angles P-C4'-P energy: -17.600
tors. eta vs tors. theta energy: 7.811
Dist. restrs. and SS energy: -27.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -358.819557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.819557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.619557 (E_RNA)
where:
Base-Base interactions energy: -213.648
where: short stacking energy: -83.882
Base-Backbone interact. energy: 1.132
local terms energy: -112.103661
where:
bonds (distance) C4'-P energy: -25.748
bonds (distance) P-C4' energy: -22.386
flat angles C4'-P-C4' energy: -26.818
flat angles P-C4'-P energy: -20.233
tors. eta vs tors. theta energy: -16.918
Dist. restrs. and SS energy: -34.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -357.208857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.208857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.408857 (E_RNA)
where:
Base-Base interactions energy: -213.159
where: short stacking energy: -91.844
Base-Backbone interact. energy: -0.208
local terms energy: -115.041840
where:
bonds (distance) C4'-P energy: -23.717
bonds (distance) P-C4' energy: -23.256
flat angles C4'-P-C4' energy: -18.710
flat angles P-C4'-P energy: -20.240
tors. eta vs tors. theta energy: -29.118
Dist. restrs. and SS energy: -28.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -351.034737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.034737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.034737 (E_RNA)
where:
Base-Base interactions energy: -226.411
where: short stacking energy: -75.865
Base-Backbone interact. energy: -0.863
local terms energy: -78.761096
where:
bonds (distance) C4'-P energy: -20.765
bonds (distance) P-C4' energy: -14.208
flat angles C4'-P-C4' energy: -18.729
flat angles P-C4'-P energy: -12.226
tors. eta vs tors. theta energy: -12.833
Dist. restrs. and SS energy: -45.000 (S_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: 11
Temperature: 1.050000
Total energy: -348.500419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.500419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.300419 (E_RNA)
where:
Base-Base interactions energy: -209.270
where: short stacking energy: -83.106
Base-Backbone interact. energy: -0.322
local terms energy: -95.709125
where:
bonds (distance) C4'-P energy: -18.205
bonds (distance) P-C4' energy: -13.477
flat angles C4'-P-C4' energy: -22.390
flat angles P-C4'-P energy: -17.154
tors. eta vs tors. theta energy: -24.483
Dist. restrs. and SS energy: -43.200 (S_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: 11
Temperature: 1.100000
Total energy: -292.619285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.619285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.619285 (E_RNA)
where:
Base-Base interactions energy: -163.776
where: short stacking energy: -75.738
Base-Backbone interact. energy: 0.751
local terms energy: -93.593949
where:
bonds (distance) C4'-P energy: -15.743
bonds (distance) P-C4' energy: -22.944
flat angles C4'-P-C4' energy: -22.321
flat angles P-C4'-P energy: -15.265
tors. eta vs tors. theta energy: -17.321
Dist. restrs. and SS energy: -36.000 (S_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: 11
Temperature: 1.150000
Total energy: -263.409419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.409419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.809419 (E_RNA)
where:
Base-Base interactions energy: -147.247
where: short stacking energy: -54.648
Base-Backbone interact. energy: -1.551
local terms energy: -84.011790
where:
bonds (distance) C4'-P energy: -19.787
bonds (distance) P-C4' energy: -26.383
flat angles C4'-P-C4' energy: -17.434
flat angles P-C4'-P energy: -14.675
tors. eta vs tors. theta energy: -5.734
Dist. restrs. and SS energy: -30.600 (S_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: 11
Temperature: 1.200000
Total energy: -241.115230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.115230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.115230 (E_RNA)
where:
Base-Base interactions energy: -138.008
where: short stacking energy: -60.312
Base-Backbone interact. energy: 0.553
local terms energy: -85.660290
where:
bonds (distance) C4'-P energy: -20.769
bonds (distance) P-C4' energy: -17.529
flat angles C4'-P-C4' energy: -24.982
flat angles P-C4'-P energy: -14.052
tors. eta vs tors. theta energy: -8.329
Dist. restrs. and SS energy: -18.000 (S_DIST_RNA)
chem. 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: -267.562065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.562065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.562065 (E_RNA)
where:
Base-Base interactions energy: -149.853
where: short stacking energy: -70.852
Base-Backbone interact. energy: 1.107
local terms energy: -82.816018
where:
bonds (distance) C4'-P energy: -18.766
bonds (distance) P-C4' energy: -14.397
flat angles C4'-P-C4' energy: -19.910
flat angles P-C4'-P energy: -18.326
tors. eta vs tors. theta energy: -11.417
Dist. restrs. and SS energy: -36.000 (S_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: -262.862030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.862030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.862030 (E_RNA)
where:
Base-Base interactions energy: -149.522
where: short stacking energy: -59.217
Base-Backbone interact. energy: -0.377
local terms energy: -76.962835
where:
bonds (distance) C4'-P energy: -18.185
bonds (distance) P-C4' energy: -20.757
flat angles C4'-P-C4' energy: -13.340
flat angles P-C4'-P energy: -12.844
tors. eta vs tors. theta energy: -11.836
Dist. restrs. and SS energy: -36.000 (S_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: 11
Temperature: 1.350000
Total energy: -234.629826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.629826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.629826 (E_RNA)
where:
Base-Base interactions energy: -134.274
where: short stacking energy: -56.148
Base-Backbone interact. energy: -0.518
local terms energy: -63.838110
where:
bonds (distance) C4'-P energy: -17.789
bonds (distance) P-C4' energy: -21.285
flat angles C4'-P-C4' energy: -12.181
flat angles P-C4'-P energy: -10.199
tors. eta vs tors. theta energy: -2.385
Dist. restrs. and SS energy: -36.000 (S_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: 12
Temperature: 0.900000
Total energy: -356.835957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.835957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.035957 (E_RNA)
where:
Base-Base interactions energy: -213.419
where: short stacking energy: -103.647
Base-Backbone interact. energy: -0.781
local terms energy: -113.835844
where:
bonds (distance) C4'-P energy: -25.634
bonds (distance) P-C4' energy: -24.393
flat angles C4'-P-C4' energy: -26.647
flat angles P-C4'-P energy: -13.950
tors. eta vs tors. theta energy: -23.212
Dist. restrs. and SS energy: -28.800 (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: 7
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -346.911671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.911671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.511671 (E_RNA)
where:
Base-Base interactions energy: -213.183
where: short stacking energy: -91.688
Base-Backbone interact. energy: -0.395
local terms energy: -100.933726
where:
bonds (distance) C4'-P energy: -21.978
bonds (distance) P-C4' energy: -22.536
flat angles C4'-P-C4' energy: -23.438
flat angles P-C4'-P energy: -16.459
tors. eta vs tors. theta energy: -16.522
Dist. restrs. and SS energy: -32.400 (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: 10
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -379.331493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.331493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.131493 (E_RNA)
where:
Base-Base interactions energy: -222.491
where: short stacking energy: -104.330
Base-Backbone interact. energy: -0.253
local terms energy: -113.386629
where:
bonds (distance) C4'-P energy: -22.556
bonds (distance) P-C4' energy: -24.937
flat angles C4'-P-C4' energy: -19.545
flat angles P-C4'-P energy: -17.307
tors. eta vs tors. theta energy: -29.041
Dist. restrs. and SS energy: -43.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -340.377474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.377474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.177474 (E_RNA)
where:
Base-Base interactions energy: -205.323
where: short stacking energy: -65.487
Base-Backbone interact. energy: -0.907
local terms energy: -90.948375
where:
bonds (distance) C4'-P energy: -20.488
bonds (distance) P-C4' energy: -19.763
flat angles C4'-P-C4' energy: -22.206
flat angles P-C4'-P energy: -11.698
tors. eta vs tors. theta energy: -16.794
Dist. restrs. and SS energy: -43.200 (S_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: 12
Temperature: 1.100000
Total energy: -316.038943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.038943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.038943 (E_RNA)
where:
Base-Base interactions energy: -184.544
where: short stacking energy: -95.213
Base-Backbone interact. energy: -0.017
local terms energy: -95.478567
where:
bonds (distance) C4'-P energy: -19.340
bonds (distance) P-C4' energy: -15.532
flat angles C4'-P-C4' energy: -22.921
flat angles P-C4'-P energy: -11.162
tors. eta vs tors. theta energy: -26.524
Dist. restrs. and SS energy: -36.000 (S_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: 12
Temperature: 1.150000
Total energy: -273.083417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.083417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.483417 (E_RNA)
where:
Base-Base interactions energy: -152.926
where: short stacking energy: -59.436
Base-Backbone interact. energy: -1.609
local terms energy: -87.948498
where:
bonds (distance) C4'-P energy: -18.575
bonds (distance) P-C4' energy: -19.163
flat angles C4'-P-C4' energy: -23.590
flat angles P-C4'-P energy: -12.055
tors. eta vs tors. theta energy: -14.565
Dist. restrs. and SS energy: -30.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -271.958608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.958608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.958608 (E_RNA)
where:
Base-Base interactions energy: -148.785
where: short stacking energy: -69.354
Base-Backbone interact. energy: 1.757
local terms energy: -88.930276
where:
bonds (distance) C4'-P energy: -18.763
bonds (distance) P-C4' energy: -22.313
flat angles C4'-P-C4' energy: -20.621
flat angles P-C4'-P energy: -12.798
tors. eta vs tors. theta energy: -14.436
Dist. restrs. and SS energy: -36.000 (S_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: 12
Temperature: 1.250000
Total energy: -230.947819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.947819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.347819 (E_RNA)
where:
Base-Base interactions energy: -138.123
where: short stacking energy: -51.573
Base-Backbone interact. energy: -0.027
local terms energy: -71.198020
where:
bonds (distance) C4'-P energy: -19.875
bonds (distance) P-C4' energy: -26.833
flat angles C4'-P-C4' energy: -10.961
flat angles P-C4'-P energy: -11.158
tors. eta vs tors. theta energy: -2.370
Dist. restrs. and SS energy: -21.600 (S_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: 12
Temperature: 1.300000
Total energy: -262.548727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.548727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.548727 (E_RNA)
where:
Base-Base interactions energy: -129.139
where: short stacking energy: -63.031
Base-Backbone interact. energy: -0.029
local terms energy: -97.381027
where:
bonds (distance) C4'-P energy: -19.846
bonds (distance) P-C4' energy: -23.139
flat angles C4'-P-C4' energy: -21.252
flat angles P-C4'-P energy: -18.921
tors. eta vs tors. theta energy: -14.222
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. 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: -262.408942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.408942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.408942 (E_RNA)
where:
Base-Base interactions energy: -147.154
where: short stacking energy: -58.039
Base-Backbone interact. energy: 0.195
local terms energy: -79.450407
where:
bonds (distance) C4'-P energy: -17.098
bonds (distance) P-C4' energy: -17.917
flat angles C4'-P-C4' energy: -22.311
flat angles P-C4'-P energy: -9.349
tors. eta vs tors. theta energy: -12.775
Dist. restrs. and SS energy: -36.000 (S_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: 13
Temperature: 0.900000
Total energy: -359.002498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.002498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.202498 (E_RNA)
where:
Base-Base interactions energy: -222.403
where: short stacking energy: -104.074
Base-Backbone interact. energy: 0.387
local terms energy: -108.186724
where:
bonds (distance) C4'-P energy: -21.224
bonds (distance) P-C4' energy: -24.063
flat angles C4'-P-C4' energy: -23.939
flat angles P-C4'-P energy: -15.261
tors. eta vs tors. theta energy: -23.700
Dist. restrs. and SS energy: -28.800 (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: 10
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -376.506657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.506657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.306657 (E_RNA)
where:
Base-Base interactions energy: -223.047
where: short stacking energy: -104.804
Base-Backbone interact. energy: -0.127
local terms energy: -110.132737
where:
bonds (distance) C4'-P energy: -19.648
bonds (distance) P-C4' energy: -24.617
flat angles C4'-P-C4' energy: -26.246
flat angles P-C4'-P energy: -12.960
tors. eta vs tors. theta energy: -26.661
Dist. restrs. and SS energy: -43.200 (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: 7
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -333.474146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.474146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.874146 (E_RNA)
where:
Base-Base interactions energy: -205.245
where: short stacking energy: -83.656
Base-Backbone interact. energy: 3.515
local terms energy: -101.143857
where:
bonds (distance) C4'-P energy: -12.839
bonds (distance) P-C4' energy: -24.336
flat angles C4'-P-C4' energy: -23.609
flat angles P-C4'-P energy: -19.307
tors. eta vs tors. theta energy: -21.052
Dist. restrs. and SS energy: -30.600 (S_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: 13
Temperature: 1.050000
Total energy: -317.497485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.497485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.497485 (E_RNA)
where:
Base-Base interactions energy: -178.677
where: short stacking energy: -81.899
Base-Backbone interact. energy: -0.264
local terms energy: -102.556198
where:
bonds (distance) C4'-P energy: -21.501
bonds (distance) P-C4' energy: -14.178
flat angles C4'-P-C4' energy: -25.183
flat angles P-C4'-P energy: -15.578
tors. eta vs tors. theta energy: -26.116
Dist. restrs. and SS energy: -36.000 (S_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: 13
Temperature: 1.100000
Total energy: -319.456108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.456108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.056108 (E_RNA)
where:
Base-Base interactions energy: -192.312
where: short stacking energy: -61.427
Base-Backbone interact. energy: -0.958
local terms energy: -84.786134
where:
bonds (distance) C4'-P energy: -15.620
bonds (distance) P-C4' energy: -22.477
flat angles C4'-P-C4' energy: -21.649
flat angles P-C4'-P energy: -8.139
tors. eta vs tors. theta energy: -16.901
Dist. restrs. and SS energy: -41.400 (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: 13
Temperature: 1.150000
Total energy: -274.492331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.492331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.892331 (E_RNA)
where:
Base-Base interactions energy: -159.886
where: short stacking energy: -70.465
Base-Backbone interact. energy: -0.296
local terms energy: -83.711015
where:
bonds (distance) C4'-P energy: -16.775
bonds (distance) P-C4' energy: -24.417
flat angles C4'-P-C4' energy: -17.434
flat angles P-C4'-P energy: -13.239
tors. eta vs tors. theta energy: -11.846
Dist. restrs. and SS energy: -30.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -252.953351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.953351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.953351 (E_RNA)
where:
Base-Base interactions energy: -131.383
where: short stacking energy: -62.793
Base-Backbone interact. energy: 0.313
local terms energy: -85.883949
where:
bonds (distance) C4'-P energy: -22.625
bonds (distance) P-C4' energy: -20.361
flat angles C4'-P-C4' energy: -24.054
flat angles P-C4'-P energy: -7.893
tors. eta vs tors. theta energy: -10.951
Dist. restrs. and SS energy: -36.000 (S_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: 13
Temperature: 1.250000
Total energy: -256.409589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.409589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.409589 (E_RNA)
where:
Base-Base interactions energy: -131.424
where: short stacking energy: -62.780
Base-Backbone interact. energy: -0.527
local terms energy: -88.458748
where:
bonds (distance) C4'-P energy: -19.445
bonds (distance) P-C4' energy: -23.245
flat angles C4'-P-C4' energy: -17.544
flat angles P-C4'-P energy: -18.600
tors. eta vs tors. theta energy: -9.625
Dist. restrs. and SS energy: -36.000 (S_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: 13
Temperature: 1.300000
Total energy: -244.776373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.776373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.776373 (E_RNA)
where:
Base-Base interactions energy: -134.552
where: short stacking energy: -50.980
Base-Backbone interact. energy: -0.193
local terms energy: -74.031510
where:
bonds (distance) C4'-P energy: -18.408
bonds (distance) P-C4' energy: -18.868
flat angles C4'-P-C4' energy: -12.556
flat angles P-C4'-P energy: -16.269
tors. eta vs tors. theta energy: -7.931
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. 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: -242.658297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.658297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.658297 (E_RNA)
where:
Base-Base interactions energy: -126.890
where: short stacking energy: -52.753
Base-Backbone interact. energy: -0.385
local terms energy: -79.382863
where:
bonds (distance) C4'-P energy: -24.122
bonds (distance) P-C4' energy: -23.291
flat angles C4'-P-C4' energy: -16.602
flat angles P-C4'-P energy: -9.753
tors. eta vs tors. theta energy: -5.616
Dist. restrs. and SS energy: -36.000 (S_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: 14
Temperature: 0.900000
Total energy: -383.286147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.286147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.086147 (E_RNA)
where:
Base-Base interactions energy: -230.294
where: short stacking energy: -98.871
Base-Backbone interact. energy: -0.658
local terms energy: -109.134425
where:
bonds (distance) C4'-P energy: -23.033
bonds (distance) P-C4' energy: -23.424
flat angles C4'-P-C4' energy: -18.617
flat angles P-C4'-P energy: -17.062
tors. eta vs tors. theta energy: -26.998
Dist. restrs. and SS energy: -43.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -358.668068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.668068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.868068 (E_RNA)
where:
Base-Base interactions energy: -215.629
where: short stacking energy: -99.477
Base-Backbone interact. energy: 0.145
local terms energy: -114.384304
where:
bonds (distance) C4'-P energy: -26.073
bonds (distance) P-C4' energy: -21.889
flat angles C4'-P-C4' energy: -22.495
flat angles P-C4'-P energy: -20.295
tors. eta vs tors. theta energy: -23.633
Dist. restrs. and SS energy: -28.800 (S_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: 14
Temperature: 1.000000
Total energy: -327.556438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.556438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.556438 (E_RNA)
where:
Base-Base interactions energy: -178.795
where: short stacking energy: -86.762
Base-Backbone interact. energy: -0.180
local terms energy: -112.581495
where:
bonds (distance) C4'-P energy: -22.628
bonds (distance) P-C4' energy: -25.710
flat angles C4'-P-C4' energy: -23.133
flat angles P-C4'-P energy: -19.382
tors. eta vs tors. theta energy: -21.728
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -335.164570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.164570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.364570 (E_RNA)
where:
Base-Base interactions energy: -205.312
where: short stacking energy: -81.628
Base-Backbone interact. energy: 2.610
local terms energy: -103.662273
where:
bonds (distance) C4'-P energy: -20.596
bonds (distance) P-C4' energy: -23.387
flat angles C4'-P-C4' energy: -22.225
flat angles P-C4'-P energy: -13.888
tors. eta vs tors. theta energy: -23.566
Dist. restrs. and SS energy: -28.800 (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: 3
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -319.302052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.302052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.502052 (E_RNA)
where:
Base-Base interactions energy: -191.611
where: short stacking energy: -57.182
Base-Backbone interact. energy: -0.446
local terms energy: -80.445300
where:
bonds (distance) C4'-P energy: -19.425
bonds (distance) P-C4' energy: -18.689
flat angles C4'-P-C4' energy: -18.895
flat angles P-C4'-P energy: -13.672
tors. eta vs tors. theta energy: -9.764
Dist. restrs. and SS energy: -46.800 (S_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: 14
Temperature: 1.150000
Total energy: -278.876391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.876391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.076391 (E_RNA)
where:
Base-Base interactions energy: -163.590
where: short stacking energy: -70.339
Base-Backbone interact. energy: 0.377
local terms energy: -86.863652
where:
bonds (distance) C4'-P energy: -19.125
bonds (distance) P-C4' energy: -21.062
flat angles C4'-P-C4' energy: -21.153
flat angles P-C4'-P energy: -14.627
tors. eta vs tors. theta energy: -10.896
Dist. restrs. and SS energy: -28.800 (S_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: 14
Temperature: 1.200000
Total energy: -273.493212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.493212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.493212 (E_RNA)
where:
Base-Base interactions energy: -147.980
where: short stacking energy: -70.618
Base-Backbone interact. energy: -0.179
local terms energy: -89.334494
where:
bonds (distance) C4'-P energy: -21.031
bonds (distance) P-C4' energy: -23.550
flat angles C4'-P-C4' energy: -16.484
flat angles P-C4'-P energy: -16.795
tors. eta vs tors. theta energy: -11.474
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. 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: -255.903791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.903791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.703791 (E_RNA)
where:
Base-Base interactions energy: -136.892
where: short stacking energy: -67.217
Base-Backbone interact. energy: -0.831
local terms energy: -83.980599
where:
bonds (distance) C4'-P energy: -17.766
bonds (distance) P-C4' energy: -24.972
flat angles C4'-P-C4' energy: -20.645
flat angles P-C4'-P energy: -6.958
tors. eta vs tors. theta energy: -13.639
Dist. restrs. and SS energy: -34.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -282.974489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.974489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.974489 (E_RNA)
where:
Base-Base interactions energy: -158.102
where: short stacking energy: -79.622
Base-Backbone interact. energy: -0.148
local terms energy: -88.724337
where:
bonds (distance) C4'-P energy: -18.737
bonds (distance) P-C4' energy: -25.730
flat angles C4'-P-C4' energy: -11.032
flat angles P-C4'-P energy: -8.210
tors. eta vs tors. theta energy: -25.015
Dist. restrs. and SS energy: -36.000 (S_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: 14
Temperature: 1.350000
Total energy: -258.226687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.226687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.226687 (E_RNA)
where:
Base-Base interactions energy: -151.096
where: short stacking energy: -67.243
Base-Backbone interact. energy: 0.503
local terms energy: -71.633389
where:
bonds (distance) C4'-P energy: -20.478
bonds (distance) P-C4' energy: -14.418
flat angles C4'-P-C4' energy: -14.709
flat angles P-C4'-P energy: -5.356
tors. eta vs tors. theta energy: -16.672
Dist. restrs. and SS energy: -36.000 (S_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: 15
Temperature: 0.900000
Total energy: -382.597054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.597054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.397054 (E_RNA)
where:
Base-Base interactions energy: -226.977
where: short stacking energy: -102.843
Base-Backbone interact. energy: -0.733
local terms energy: -111.687370
where:
bonds (distance) C4'-P energy: -22.222
bonds (distance) P-C4' energy: -23.681
flat angles C4'-P-C4' energy: -24.095
flat angles P-C4'-P energy: -19.542
tors. eta vs tors. theta energy: -22.147
Dist. restrs. and SS energy: -43.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -333.534843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.534843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.534843 (E_RNA)
where:
Base-Base interactions energy: -187.399
where: short stacking energy: -93.117
Base-Backbone interact. energy: -0.234
local terms energy: -109.901381
where:
bonds (distance) C4'-P energy: -20.497
bonds (distance) P-C4' energy: -21.420
flat angles C4'-P-C4' energy: -26.498
flat angles P-C4'-P energy: -16.327
tors. eta vs tors. theta energy: -25.159
Dist. restrs. and SS energy: -36.000 (S_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: 15
Temperature: 1.000000
Total energy: -339.581575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.581575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.781575 (E_RNA)
where:
Base-Base interactions energy: -206.665
where: short stacking energy: -93.016
Base-Backbone interact. energy: -0.083
local terms energy: -104.033559
where:
bonds (distance) C4'-P energy: -19.033
bonds (distance) P-C4' energy: -21.873
flat angles C4'-P-C4' energy: -20.582
flat angles P-C4'-P energy: -18.785
tors. eta vs tors. theta energy: -23.761
Dist. restrs. and SS energy: -28.800 (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: 7
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -307.400506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.400506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.800506 (E_RNA)
where:
Base-Base interactions energy: -192.895
where: short stacking energy: -85.676
Base-Backbone interact. energy: -0.022
local terms energy: -92.883686
where:
bonds (distance) C4'-P energy: -15.951
bonds (distance) P-C4' energy: -20.922
flat angles C4'-P-C4' energy: -23.679
flat angles P-C4'-P energy: -13.174
tors. eta vs tors. theta energy: -19.158
Dist. restrs. and SS energy: -21.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -307.858490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.858490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.458490 (E_RNA)
where:
Base-Base interactions energy: -177.917
where: short stacking energy: -58.442
Base-Backbone interact. energy: -0.224
local terms energy: -88.317632
where:
bonds (distance) C4'-P energy: -24.352
bonds (distance) P-C4' energy: -21.817
flat angles C4'-P-C4' energy: -17.103
flat angles P-C4'-P energy: -15.670
tors. eta vs tors. theta energy: -9.376
Dist. restrs. and SS energy: -41.400 (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: 15
Temperature: 1.150000
Total energy: -294.454271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.454271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.454271 (E_RNA)
where:
Base-Base interactions energy: -176.970
where: short stacking energy: -91.856
Base-Backbone interact. energy: 0.022
local terms energy: -90.506852
where:
bonds (distance) C4'-P energy: -12.741
bonds (distance) P-C4' energy: -23.427
flat angles C4'-P-C4' energy: -22.385
flat angles P-C4'-P energy: -14.454
tors. eta vs tors. theta energy: -17.500
Dist. restrs. and SS energy: -27.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -271.831651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.831651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.831651 (E_RNA)
where:
Base-Base interactions energy: -145.120
where: short stacking energy: -67.225
Base-Backbone interact. energy: -0.140
local terms energy: -90.571389
where:
bonds (distance) C4'-P energy: -23.410
bonds (distance) P-C4' energy: -21.853
flat angles C4'-P-C4' energy: -21.442
flat angles P-C4'-P energy: -11.398
tors. eta vs tors. theta energy: -12.469
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -271.803110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.803110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.803110 (E_RNA)
where:
Base-Base interactions energy: -156.482
where: short stacking energy: -80.922
Base-Backbone interact. energy: -0.071
local terms energy: -79.249444
where:
bonds (distance) C4'-P energy: -18.306
bonds (distance) P-C4' energy: -16.123
flat angles C4'-P-C4' energy: -20.321
flat angles P-C4'-P energy: -7.205
tors. eta vs tors. theta energy: -17.294
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -290.109362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.109362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.909362 (E_RNA)
where:
Base-Base interactions energy: -172.610
where: short stacking energy: -78.672
Base-Backbone interact. energy: -0.133
local terms energy: -83.166448
where:
bonds (distance) C4'-P energy: -22.653
bonds (distance) P-C4' energy: -18.823
flat angles C4'-P-C4' energy: -11.110
flat angles P-C4'-P energy: -11.368
tors. eta vs tors. theta energy: -19.212
Dist. restrs. and SS energy: -34.200 (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: 1
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -248.970132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.970132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.770132 (E_RNA)
where:
Base-Base interactions energy: -140.403
where: short stacking energy: -60.228
Base-Backbone interact. energy: -0.098
local terms energy: -74.268329
where:
bonds (distance) C4'-P energy: -17.841
bonds (distance) P-C4' energy: -20.451
flat angles C4'-P-C4' energy: -13.390
flat angles P-C4'-P energy: -11.976
tors. eta vs tors. theta energy: -10.610
Dist. restrs. and SS energy: -34.200 (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: 10
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -387.229802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.229802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.829802 (E_RNA)
where:
Base-Base interactions energy: -227.484
where: short stacking energy: -84.979
Base-Backbone interact. energy: -0.039
local terms energy: -109.306799
where:
bonds (distance) C4'-P energy: -22.872
bonds (distance) P-C4' energy: -24.740
flat angles C4'-P-C4' energy: -21.674
flat angles P-C4'-P energy: -14.450
tors. eta vs tors. theta energy: -25.571
Dist. restrs. and SS energy: -50.400 (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: 16
Temperature: 0.950000
Total energy: -329.710378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.710378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.710378 (E_RNA)
where:
Base-Base interactions energy: -187.528
where: short stacking energy: -98.541
Base-Backbone interact. energy: -0.451
local terms energy: -105.731149
where:
bonds (distance) C4'-P energy: -20.269
bonds (distance) P-C4' energy: -19.824
flat angles C4'-P-C4' energy: -24.041
flat angles P-C4'-P energy: -16.028
tors. eta vs tors. theta energy: -25.569
Dist. restrs. and SS energy: -36.000 (S_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: 16
Temperature: 1.000000
Total energy: -322.155984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.155984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.955984 (E_RNA)
where:
Base-Base interactions energy: -189.782
where: short stacking energy: -79.494
Base-Backbone interact. energy: -0.754
local terms energy: -106.420396
where:
bonds (distance) C4'-P energy: -23.009
bonds (distance) P-C4' energy: -24.993
flat angles C4'-P-C4' energy: -22.703
flat angles P-C4'-P energy: -16.694
tors. eta vs tors. theta energy: -19.022
Dist. restrs. and SS energy: -25.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -336.391305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.391305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.591305 (E_RNA)
where:
Base-Base interactions energy: -202.453
where: short stacking energy: -90.750
Base-Backbone interact. energy: -0.013
local terms energy: -105.125310
where:
bonds (distance) C4'-P energy: -24.353
bonds (distance) P-C4' energy: -21.283
flat angles C4'-P-C4' energy: -20.612
flat angles P-C4'-P energy: -16.460
tors. eta vs tors. theta energy: -22.418
Dist. restrs. and SS energy: -28.800 (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: 2
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -312.608363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.608363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.608363 (E_RNA)
where:
Base-Base interactions energy: -165.793
where: short stacking energy: -86.759
Base-Backbone interact. energy: -0.062
local terms energy: -110.753550
where:
bonds (distance) C4'-P energy: -16.502
bonds (distance) P-C4' energy: -26.547
flat angles C4'-P-C4' energy: -24.264
flat angles P-C4'-P energy: -18.136
tors. eta vs tors. theta energy: -25.304
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -315.300227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.300227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.500227 (E_RNA)
where:
Base-Base interactions energy: -189.950
where: short stacking energy: -68.197
Base-Backbone interact. energy: 0.613
local terms energy: -88.162963
where:
bonds (distance) C4'-P energy: -19.080
bonds (distance) P-C4' energy: -21.344
flat angles C4'-P-C4' energy: -22.657
flat angles P-C4'-P energy: -14.166
tors. eta vs tors. theta energy: -10.916
Dist. restrs. and SS energy: -37.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -300.075260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.075260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.075260 (E_RNA)
where:
Base-Base interactions energy: -163.324
where: short stacking energy: -76.664
Base-Backbone interact. energy: -0.043
local terms energy: -100.708421
where:
bonds (distance) C4'-P energy: -21.253
bonds (distance) P-C4' energy: -27.056
flat angles C4'-P-C4' energy: -18.588
flat angles P-C4'-P energy: -12.195
tors. eta vs tors. theta energy: -21.617
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -287.379731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.379731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.379731 (E_RNA)
where:
Base-Base interactions energy: -160.945
where: short stacking energy: -75.117
Base-Backbone interact. energy: -0.328
local terms energy: -90.106318
where:
bonds (distance) C4'-P energy: -13.387
bonds (distance) P-C4' energy: -24.429
flat angles C4'-P-C4' energy: -21.549
flat angles P-C4'-P energy: -14.436
tors. eta vs tors. theta energy: -16.306
Dist. restrs. and SS energy: -36.000 (S_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: 16
Temperature: 1.300000
Total energy: -248.280715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.280715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.280715 (E_RNA)
where:
Base-Base interactions energy: -137.773
where: short stacking energy: -58.882
Base-Backbone interact. energy: -0.522
local terms energy: -73.985717
where:
bonds (distance) C4'-P energy: -15.756
bonds (distance) P-C4' energy: -15.497
flat angles C4'-P-C4' energy: -17.899
flat angles P-C4'-P energy: -14.734
tors. eta vs tors. theta energy: -10.099
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -276.134961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.134961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.134961 (E_RNA)
where:
Base-Base interactions energy: -145.332
where: short stacking energy: -61.976
Base-Backbone interact. energy: -0.240
local terms energy: -94.562903
where:
bonds (distance) C4'-P energy: -25.020
bonds (distance) P-C4' energy: -22.843
flat angles C4'-P-C4' energy: -15.919
flat angles P-C4'-P energy: -16.181
tors. eta vs tors. theta energy: -14.600
Dist. restrs. and SS energy: -36.000 (S_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: 17
Temperature: 0.900000
Total energy: -409.580260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.580260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.180260 (E_RNA)
where:
Base-Base interactions energy: -244.543
where: short stacking energy: -100.260
Base-Backbone interact. energy: -0.662
local terms energy: -113.974610
where:
bonds (distance) C4'-P energy: -25.067
bonds (distance) P-C4' energy: -23.182
flat angles C4'-P-C4' energy: -24.114
flat angles P-C4'-P energy: -14.116
tors. eta vs tors. theta energy: -27.495
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -314.214309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.214309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.614309 (E_RNA)
where:
Base-Base interactions energy: -191.600
where: short stacking energy: -69.158
Base-Backbone interact. energy: -0.131
local terms energy: -100.882738
where:
bonds (distance) C4'-P energy: -23.302
bonds (distance) P-C4' energy: -20.933
flat angles C4'-P-C4' energy: -23.172
flat angles P-C4'-P energy: -18.836
tors. eta vs tors. theta energy: -14.641
Dist. restrs. and SS energy: -21.600 (S_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: 17
Temperature: 1.000000
Total energy: -345.918709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.918709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.918709 (E_RNA)
where:
Base-Base interactions energy: -202.540
where: short stacking energy: -92.998
Base-Backbone interact. energy: -0.280
local terms energy: -107.098689
where:
bonds (distance) C4'-P energy: -19.076
bonds (distance) P-C4' energy: -24.267
flat angles C4'-P-C4' energy: -20.612
flat angles P-C4'-P energy: -17.233
tors. eta vs tors. theta energy: -25.911
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -309.338555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.338555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.338555 (E_RNA)
where:
Base-Base interactions energy: -179.470
where: short stacking energy: -81.668
Base-Backbone interact. energy: -0.547
local terms energy: -93.321565
where:
bonds (distance) C4'-P energy: -19.978
bonds (distance) P-C4' energy: -26.246
flat angles C4'-P-C4' energy: -18.336
flat angles P-C4'-P energy: -13.236
tors. eta vs tors. theta energy: -15.526
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -331.555278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.555278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.555278 (E_RNA)
where:
Base-Base interactions energy: -202.007
where: short stacking energy: -89.075
Base-Backbone interact. energy: -0.217
local terms energy: -102.330447
where:
bonds (distance) C4'-P energy: -15.603
bonds (distance) P-C4' energy: -21.216
flat angles C4'-P-C4' energy: -24.767
flat angles P-C4'-P energy: -18.686
tors. eta vs tors. theta energy: -22.059
Dist. restrs. and SS energy: -27.000 (S_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: 17
Temperature: 1.150000
Total energy: -303.819733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.819733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.819733 (E_RNA)
where:
Base-Base interactions energy: -173.791
where: short stacking energy: -84.800
Base-Backbone interact. energy: -0.520
local terms energy: -93.508645
where:
bonds (distance) C4'-P energy: -20.164
bonds (distance) P-C4' energy: -20.364
flat angles C4'-P-C4' energy: -17.955
flat angles P-C4'-P energy: -15.239
tors. eta vs tors. theta energy: -19.787
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -301.245375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.245375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.845375 (E_RNA)
where:
Base-Base interactions energy: -183.208
where: short stacking energy: -64.288
Base-Backbone interact. energy: 0.584
local terms energy: -77.221571
where:
bonds (distance) C4'-P energy: -19.117
bonds (distance) P-C4' energy: -20.266
flat angles C4'-P-C4' energy: -19.652
flat angles P-C4'-P energy: -4.923
tors. eta vs tors. theta energy: -13.264
Dist. restrs. and SS energy: -41.400 (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: 6
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -286.923092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.923092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.923092 (E_RNA)
where:
Base-Base interactions energy: -161.196
where: short stacking energy: -66.797
Base-Backbone interact. energy: 0.952
local terms energy: -90.679588
where:
bonds (distance) C4'-P energy: -23.081
bonds (distance) P-C4' energy: -22.275
flat angles C4'-P-C4' energy: -19.825
flat angles P-C4'-P energy: -11.639
tors. eta vs tors. theta energy: -13.860
Dist. restrs. and SS energy: -36.000 (S_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: 17
Temperature: 1.300000
Total energy: -261.710130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.710130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.710130 (E_RNA)
where:
Base-Base interactions energy: -135.923
where: short stacking energy: -59.616
Base-Backbone interact. energy: -0.749
local terms energy: -89.037888
where:
bonds (distance) C4'-P energy: -25.166
bonds (distance) P-C4' energy: -24.442
flat angles C4'-P-C4' energy: -21.376
flat angles P-C4'-P energy: -10.675
tors. eta vs tors. theta energy: -7.380
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -258.917145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.917145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.917145 (E_RNA)
where:
Base-Base interactions energy: -144.695
where: short stacking energy: -61.695
Base-Backbone interact. energy: 0.717
local terms energy: -78.939337
where:
bonds (distance) C4'-P energy: -17.515
bonds (distance) P-C4' energy: -13.223
flat angles C4'-P-C4' energy: -20.067
flat angles P-C4'-P energy: -15.351
tors. eta vs tors. theta energy: -12.784
Dist. restrs. and SS energy: -36.000 (S_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: 18
Temperature: 0.900000
Total energy: -411.007725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.007725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.607725 (E_RNA)
where:
Base-Base interactions energy: -240.345
where: short stacking energy: -93.984
Base-Backbone interact. energy: -0.485
local terms energy: -119.777059
where:
bonds (distance) C4'-P energy: -23.385
bonds (distance) P-C4' energy: -23.098
flat angles C4'-P-C4' energy: -25.234
flat angles P-C4'-P energy: -16.502
tors. eta vs tors. theta energy: -31.558
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -323.843198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.843198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.443198 (E_RNA)
where:
Base-Base interactions energy: -198.734
where: short stacking energy: -90.043
Base-Backbone interact. energy: 0.192
local terms energy: -101.900807
where:
bonds (distance) C4'-P energy: -21.009
bonds (distance) P-C4' energy: -25.261
flat angles C4'-P-C4' energy: -20.573
flat angles P-C4'-P energy: -16.012
tors. eta vs tors. theta energy: -19.045
Dist. restrs. and SS energy: -23.400 (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: 9
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -367.500170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.500170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.500170 (E_RNA)
where:
Base-Base interactions energy: -220.721
where: short stacking energy: -96.248
Base-Backbone interact. energy: -1.350
local terms energy: -109.428606
where:
bonds (distance) C4'-P energy: -20.732
bonds (distance) P-C4' energy: -19.963
flat angles C4'-P-C4' energy: -23.496
flat angles P-C4'-P energy: -16.787
tors. eta vs tors. theta energy: -28.451
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -302.336936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.336936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.336936 (E_RNA)
where:
Base-Base interactions energy: -173.813
where: short stacking energy: -76.079
Base-Backbone interact. energy: -0.393
local terms energy: -92.131430
where:
bonds (distance) C4'-P energy: -19.477
bonds (distance) P-C4' energy: -22.410
flat angles C4'-P-C4' energy: -19.453
flat angles P-C4'-P energy: -14.131
tors. eta vs tors. theta energy: -16.660
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -333.051302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.051302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.251302 (E_RNA)
where:
Base-Base interactions energy: -214.472
where: short stacking energy: -83.572
Base-Backbone interact. energy: 1.012
local terms energy: -90.791658
where:
bonds (distance) C4'-P energy: -11.802
bonds (distance) P-C4' energy: -20.924
flat angles C4'-P-C4' energy: -21.262
flat angles P-C4'-P energy: -16.396
tors. eta vs tors. theta energy: -20.407
Dist. restrs. and SS energy: -28.800 (S_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: 18
Temperature: 1.150000
Total energy: -292.678806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.678806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.678806 (E_RNA)
where:
Base-Base interactions energy: -153.546
where: short stacking energy: -69.043
Base-Backbone interact. energy: -1.895
local terms energy: -101.237294
where:
bonds (distance) C4'-P energy: -21.850
bonds (distance) P-C4' energy: -23.128
flat angles C4'-P-C4' energy: -21.751
flat angles P-C4'-P energy: -19.233
tors. eta vs tors. theta energy: -15.275
Dist. restrs. and SS energy: -36.000 (S_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: 18
Temperature: 1.200000
Total energy: -292.706191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.706191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.706191 (E_RNA)
where:
Base-Base interactions energy: -164.517
where: short stacking energy: -79.465
Base-Backbone interact. energy: -0.068
local terms energy: -92.120786
where:
bonds (distance) C4'-P energy: -17.881
bonds (distance) P-C4' energy: -12.473
flat angles C4'-P-C4' energy: -26.958
flat angles P-C4'-P energy: -13.999
tors. eta vs tors. theta energy: -20.810
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -263.916923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.916923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.516923 (E_RNA)
where:
Base-Base interactions energy: -150.075
where: short stacking energy: -69.099
Base-Backbone interact. energy: 0.490
local terms energy: -81.931445
where:
bonds (distance) C4'-P energy: -10.094
bonds (distance) P-C4' energy: -20.278
flat angles C4'-P-C4' energy: -20.321
flat angles P-C4'-P energy: -14.689
tors. eta vs tors. theta energy: -16.550
Dist. restrs. and SS energy: -32.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -268.204229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.204229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.204229 (E_RNA)
where:
Base-Base interactions energy: -155.220
where: short stacking energy: -63.966
Base-Backbone interact. energy: 2.687
local terms energy: -79.670347
where:
bonds (distance) C4'-P energy: -16.662
bonds (distance) P-C4' energy: -17.233
flat angles C4'-P-C4' energy: -21.235
flat angles P-C4'-P energy: -12.128
tors. eta vs tors. theta energy: -12.413
Dist. restrs. and SS energy: -36.000 (S_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: 18
Temperature: 1.350000
Total energy: -263.390006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.390006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.390006 (E_RNA)
where:
Base-Base interactions energy: -146.629
where: short stacking energy: -60.877
Base-Backbone interact. energy: -0.506
local terms energy: -80.255033
where:
bonds (distance) C4'-P energy: -16.829
bonds (distance) P-C4' energy: -20.788
flat angles C4'-P-C4' energy: -17.969
flat angles P-C4'-P energy: -12.855
tors. eta vs tors. theta energy: -11.814
Dist. restrs. and SS energy: -36.000 (S_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: 19
Temperature: 0.900000
Total energy: -403.646602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.646602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.046602 (E_RNA)
where:
Base-Base interactions energy: -238.456
where: short stacking energy: -95.432
Base-Backbone interact. energy: -0.323
local terms energy: -116.267788
where:
bonds (distance) C4'-P energy: -26.159
bonds (distance) P-C4' energy: -24.609
flat angles C4'-P-C4' energy: -22.206
flat angles P-C4'-P energy: -14.393
tors. eta vs tors. theta energy: -28.900
Dist. restrs. and SS energy: -48.600 (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: 9
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -359.372084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.372084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.972084 (E_RNA)
where:
Base-Base interactions energy: -213.418
where: short stacking energy: -87.873
Base-Backbone interact. energy: -0.684
local terms energy: -112.869682
where:
bonds (distance) C4'-P energy: -24.668
bonds (distance) P-C4' energy: -23.021
flat angles C4'-P-C4' energy: -24.755
flat angles P-C4'-P energy: -15.410
tors. eta vs tors. theta energy: -25.015
Dist. restrs. and SS energy: -32.400 (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: 7
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -310.591168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.591168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.191168 (E_RNA)
where:
Base-Base interactions energy: -191.800
where: short stacking energy: -84.792
Base-Backbone interact. energy: 1.212
local terms energy: -96.602841
where:
bonds (distance) C4'-P energy: -20.421
bonds (distance) P-C4' energy: -17.297
flat angles C4'-P-C4' energy: -20.218
flat angles P-C4'-P energy: -18.101
tors. eta vs tors. theta energy: -20.566
Dist. restrs. and SS energy: -23.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -342.445139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.445139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.645139 (E_RNA)
where:
Base-Base interactions energy: -215.546
where: short stacking energy: -96.989
Base-Backbone interact. energy: -0.247
local terms energy: -97.852733
where:
bonds (distance) C4'-P energy: -15.574
bonds (distance) P-C4' energy: -21.059
flat angles C4'-P-C4' energy: -23.376
flat angles P-C4'-P energy: -14.298
tors. eta vs tors. theta energy: -23.545
Dist. restrs. and SS energy: -28.800 (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: 2
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -286.094793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.094793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.094793 (E_RNA)
where:
Base-Base interactions energy: -163.760
where: short stacking energy: -88.735
Base-Backbone interact. energy: -0.041
local terms energy: -86.293092
where:
bonds (distance) C4'-P energy: -13.870
bonds (distance) P-C4' energy: -22.613
flat angles C4'-P-C4' energy: -20.991
flat angles P-C4'-P energy: -14.431
tors. eta vs tors. theta energy: -14.388
Dist. restrs. and SS energy: -36.000 (S_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: 19
Temperature: 1.150000
Total energy: -311.168229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.168229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.168229 (E_RNA)
where:
Base-Base interactions energy: -177.896
where: short stacking energy: -87.026
Base-Backbone interact. energy: -0.289
local terms energy: -96.982859
where:
bonds (distance) C4'-P energy: -18.820
bonds (distance) P-C4' energy: -20.790
flat angles C4'-P-C4' energy: -23.769
flat angles P-C4'-P energy: -11.357
tors. eta vs tors. theta energy: -22.248
Dist. restrs. and SS energy: -36.000 (S_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: 19
Temperature: 1.200000
Total energy: -283.909794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.909794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.509794 (E_RNA)
where:
Base-Base interactions energy: -161.086
where: short stacking energy: -70.995
Base-Backbone interact. energy: -0.202
local terms energy: -90.221088
where:
bonds (distance) C4'-P energy: -19.156
bonds (distance) P-C4' energy: -23.768
flat angles C4'-P-C4' energy: -17.240
flat angles P-C4'-P energy: -15.332
tors. eta vs tors. theta energy: -14.724
Dist. restrs. and SS energy: -32.400 (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: 19
Temperature: 1.250000
Total energy: -335.400758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.400758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.000758 (E_RNA)
where:
Base-Base interactions energy: -194.072
where: short stacking energy: -69.952
Base-Backbone interact. energy: -0.538
local terms energy: -90.390816
where:
bonds (distance) C4'-P energy: -22.070
bonds (distance) P-C4' energy: -24.854
flat angles C4'-P-C4' energy: -13.334
flat angles P-C4'-P energy: -17.256
tors. eta vs tors. theta energy: -12.877
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -248.665058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.665058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.465058 (E_RNA)
where:
Base-Base interactions energy: -134.421
where: short stacking energy: -59.631
Base-Backbone interact. energy: -0.737
local terms energy: -79.306607
where:
bonds (distance) C4'-P energy: -20.086
bonds (distance) P-C4' energy: -20.677
flat angles C4'-P-C4' energy: -14.986
flat angles P-C4'-P energy: -13.556
tors. eta vs tors. theta energy: -10.002
Dist. restrs. and SS energy: -34.200 (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: 1
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -251.643267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.643267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.643267 (E_RNA)
where:
Base-Base interactions energy: -142.595
where: short stacking energy: -60.266
Base-Backbone interact. energy: -1.301
local terms energy: -71.747006
where:
bonds (distance) C4'-P energy: -16.707
bonds (distance) P-C4' energy: -21.438
flat angles C4'-P-C4' energy: -19.275
flat angles P-C4'-P energy: -7.893
tors. eta vs tors. theta energy: -6.433
Dist. restrs. and SS energy: -36.000 (S_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: 20
Temperature: 0.900000
Total energy: -423.007332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.007332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.607332 (E_RNA)
where:
Base-Base interactions energy: -255.594
where: short stacking energy: -106.862
Base-Backbone interact. energy: -0.981
local terms energy: -116.032907
where:
bonds (distance) C4'-P energy: -22.280
bonds (distance) P-C4' energy: -23.673
flat angles C4'-P-C4' energy: -23.477
flat angles P-C4'-P energy: -17.348
tors. eta vs tors. theta energy: -29.255
Dist. restrs. and SS energy: -50.400 (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: 20
Temperature: 0.950000
Total energy: -363.072527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.072527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.872527 (E_RNA)
where:
Base-Base interactions energy: -222.605
where: short stacking energy: -101.115
Base-Backbone interact. energy: -0.286
local terms energy: -105.981228
where:
bonds (distance) C4'-P energy: -24.160
bonds (distance) P-C4' energy: -23.424
flat angles C4'-P-C4' energy: -21.970
flat angles P-C4'-P energy: -11.634
tors. eta vs tors. theta energy: -24.793
Dist. restrs. and SS energy: -34.200 (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: 4
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -352.874349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.874349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.674349 (E_RNA)
where:
Base-Base interactions energy: -212.361
where: short stacking energy: -97.161
Base-Backbone interact. energy: -0.145
local terms energy: -115.168789
where:
bonds (distance) C4'-P energy: -19.353
bonds (distance) P-C4' energy: -25.268
flat angles C4'-P-C4' energy: -26.075
flat angles P-C4'-P energy: -15.780
tors. eta vs tors. theta energy: -28.692
Dist. restrs. and SS energy: -25.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -308.476990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.476990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.876990 (E_RNA)
where:
Base-Base interactions energy: -189.041
where: short stacking energy: -80.442
Base-Backbone interact. energy: 1.089
local terms energy: -98.924732
where:
bonds (distance) C4'-P energy: -22.516
bonds (distance) P-C4' energy: -19.918
flat angles C4'-P-C4' energy: -22.545
flat angles P-C4'-P energy: -14.725
tors. eta vs tors. theta energy: -19.220
Dist. restrs. and SS energy: -21.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -314.685553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.685553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.685553 (E_RNA)
where:
Base-Base interactions energy: -181.873
where: short stacking energy: -80.152
Base-Backbone interact. energy: -0.063
local terms energy: -96.749455
where:
bonds (distance) C4'-P energy: -15.129
bonds (distance) P-C4' energy: -24.583
flat angles C4'-P-C4' energy: -21.532
flat angles P-C4'-P energy: -14.104
tors. eta vs tors. theta energy: -21.402
Dist. restrs. and SS energy: -36.000 (S_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: 20
Temperature: 1.150000
Total energy: -264.421960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.421960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.421960 (E_RNA)
where:
Base-Base interactions energy: -138.277
where: short stacking energy: -64.255
Base-Backbone interact. energy: -0.587
local terms energy: -89.558072
where:
bonds (distance) C4'-P energy: -17.975
bonds (distance) P-C4' energy: -20.427
flat angles C4'-P-C4' energy: -20.562
flat angles P-C4'-P energy: -16.730
tors. eta vs tors. theta energy: -13.864
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -335.243625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.243625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.243625 (E_RNA)
where:
Base-Base interactions energy: -193.469
where: short stacking energy: -85.039
Base-Backbone interact. energy: -0.178
local terms energy: -96.596602
where:
bonds (distance) C4'-P energy: -20.392
bonds (distance) P-C4' energy: -16.433
flat angles C4'-P-C4' energy: -23.915
flat angles P-C4'-P energy: -13.461
tors. eta vs tors. theta energy: -22.396
Dist. restrs. and SS energy: -45.000 (S_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: 20
Temperature: 1.250000
Total energy: -284.074482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.074482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.074482 (E_RNA)
where:
Base-Base interactions energy: -159.900
where: short stacking energy: -75.889
Base-Backbone interact. energy: -0.202
local terms energy: -87.973013
where:
bonds (distance) C4'-P energy: -17.295
bonds (distance) P-C4' energy: -18.200
flat angles C4'-P-C4' energy: -18.987
flat angles P-C4'-P energy: -10.584
tors. eta vs tors. theta energy: -22.908
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -277.544149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.544149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.544149 (E_RNA)
where:
Base-Base interactions energy: -151.191
where: short stacking energy: -69.572
Base-Backbone interact. energy: 2.102
local terms energy: -92.454756
where:
bonds (distance) C4'-P energy: -22.217
bonds (distance) P-C4' energy: -17.183
flat angles C4'-P-C4' energy: -21.329
flat angles P-C4'-P energy: -8.775
tors. eta vs tors. theta energy: -22.950
Dist. restrs. and SS energy: -36.000 (S_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: -258.597853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.597853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.597853 (E_RNA)
where:
Base-Base interactions energy: -146.726
where: short stacking energy: -55.344
Base-Backbone interact. energy: -0.203
local terms energy: -75.668909
where:
bonds (distance) C4'-P energy: -20.949
bonds (distance) P-C4' energy: -15.653
flat angles C4'-P-C4' energy: -15.877
flat angles P-C4'-P energy: -13.558
tors. eta vs tors. theta energy: -9.631
Dist. restrs. and SS energy: -36.000 (S_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: 21
Temperature: 0.900000
Total energy: -416.208362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.208362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.808362 (E_RNA)
where:
Base-Base interactions energy: -248.133
where: short stacking energy: -108.675
Base-Backbone interact. energy: -0.079
local terms energy: -117.596324
where:
bonds (distance) C4'-P energy: -24.265
bonds (distance) P-C4' energy: -25.065
flat angles C4'-P-C4' energy: -20.012
flat angles P-C4'-P energy: -17.389
tors. eta vs tors. theta energy: -30.865
Dist. restrs. and SS energy: -50.400 (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: 4
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -358.632677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.632677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.832677 (E_RNA)
where:
Base-Base interactions energy: -223.731
where: short stacking energy: -89.236
Base-Backbone interact. energy: -0.050
local terms energy: -106.051240
where:
bonds (distance) C4'-P energy: -22.586
bonds (distance) P-C4' energy: -19.932
flat angles C4'-P-C4' energy: -24.481
flat angles P-C4'-P energy: -17.601
tors. eta vs tors. theta energy: -21.451
Dist. restrs. and SS energy: -28.800 (S_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: 21
Temperature: 1.000000
Total energy: -343.190134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.190134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.990134 (E_RNA)
where:
Base-Base interactions energy: -193.879
where: short stacking energy: -104.663
Base-Backbone interact. energy: -0.079
local terms energy: -115.032145
where:
bonds (distance) C4'-P energy: -24.750
bonds (distance) P-C4' energy: -18.557
flat angles C4'-P-C4' energy: -27.669
flat angles P-C4'-P energy: -16.201
tors. eta vs tors. theta energy: -27.856
Dist. restrs. and SS energy: -34.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -306.767203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.767203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.967203 (E_RNA)
where:
Base-Base interactions energy: -186.811
where: short stacking energy: -77.737
Base-Backbone interact. energy: 0.586
local terms energy: -100.742800
where:
bonds (distance) C4'-P energy: -18.947
bonds (distance) P-C4' energy: -26.572
flat angles C4'-P-C4' energy: -21.762
flat angles P-C4'-P energy: -16.362
tors. eta vs tors. theta energy: -17.101
Dist. restrs. and SS energy: -19.800 (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: 21
Temperature: 1.100000
Total energy: -321.078271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.078271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.078271 (E_RNA)
where:
Base-Base interactions energy: -187.481
where: short stacking energy: -98.405
Base-Backbone interact. energy: -0.041
local terms energy: -97.556328
where:
bonds (distance) C4'-P energy: -18.808
bonds (distance) P-C4' energy: -22.513
flat angles C4'-P-C4' energy: -21.090
flat angles P-C4'-P energy: -7.799
tors. eta vs tors. theta energy: -27.346
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -326.831237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.831237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.431237 (E_RNA)
where:
Base-Base interactions energy: -186.514
where: short stacking energy: -76.716
Base-Backbone interact. energy: -0.189
local terms energy: -89.727710
where:
bonds (distance) C4'-P energy: -19.643
bonds (distance) P-C4' energy: -23.697
flat angles C4'-P-C4' energy: -16.179
flat angles P-C4'-P energy: -10.911
tors. eta vs tors. theta energy: -19.299
Dist. restrs. and SS energy: -50.400 (S_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: 21
Temperature: 1.200000
Total energy: -261.805087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.805087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.805087 (E_RNA)
where:
Base-Base interactions energy: -136.310
where: short stacking energy: -63.048
Base-Backbone interact. energy: -0.211
local terms energy: -89.284361
where:
bonds (distance) C4'-P energy: -22.446
bonds (distance) P-C4' energy: -21.442
flat angles C4'-P-C4' energy: -19.656
flat angles P-C4'-P energy: -15.169
tors. eta vs tors. theta energy: -10.572
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -265.351810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.351810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.951810 (E_RNA)
where:
Base-Base interactions energy: -149.489
where: short stacking energy: -67.471
Base-Backbone interact. energy: 1.369
local terms energy: -84.832750
where:
bonds (distance) C4'-P energy: -23.054
bonds (distance) P-C4' energy: -20.256
flat angles C4'-P-C4' energy: -19.931
flat angles P-C4'-P energy: -13.362
tors. eta vs tors. theta energy: -8.231
Dist. restrs. and SS energy: -32.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -285.381321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.381321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.381321 (E_RNA)
where:
Base-Base interactions energy: -166.652
where: short stacking energy: -74.972
Base-Backbone interact. energy: 0.818
local terms energy: -83.547301
where:
bonds (distance) C4'-P energy: -15.391
bonds (distance) P-C4' energy: -18.872
flat angles C4'-P-C4' energy: -22.417
flat angles P-C4'-P energy: -4.720
tors. eta vs tors. theta energy: -22.148
Dist. restrs. and SS energy: -36.000 (S_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: -273.159051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.159051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.159051 (E_RNA)
where:
Base-Base interactions energy: -148.667
where: short stacking energy: -69.011
Base-Backbone interact. energy: -0.164
local terms energy: -88.328776
where:
bonds (distance) C4'-P energy: -16.587
bonds (distance) P-C4' energy: -18.836
flat angles C4'-P-C4' energy: -20.130
flat angles P-C4'-P energy: -17.436
tors. eta vs tors. theta energy: -15.339
Dist. restrs. and SS energy: -36.000 (S_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: 22
Temperature: 0.900000
Total energy: -417.164806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.164806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.764806 (E_RNA)
where:
Base-Base interactions energy: -248.559
where: short stacking energy: -102.144
Base-Backbone interact. energy: -1.916
local terms energy: -116.289115
where:
bonds (distance) C4'-P energy: -22.657
bonds (distance) P-C4' energy: -27.986
flat angles C4'-P-C4' energy: -21.232
flat angles P-C4'-P energy: -15.959
tors. eta vs tors. theta energy: -28.455
Dist. restrs. and SS energy: -50.400 (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: 4
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -362.765912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.765912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.765912 (E_RNA)
where:
Base-Base interactions energy: -223.880
where: short stacking energy: -109.430
Base-Backbone interact. energy: 0.168
local terms energy: -112.054728
where:
bonds (distance) C4'-P energy: -23.721
bonds (distance) P-C4' energy: -24.562
flat angles C4'-P-C4' energy: -22.046
flat angles P-C4'-P energy: -14.281
tors. eta vs tors. theta energy: -27.445
Dist. restrs. and SS energy: -27.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -318.030820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.030820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.030820 (E_RNA)
where:
Base-Base interactions energy: -189.622
where: short stacking energy: -87.343
Base-Backbone interact. energy: -0.743
local terms energy: -91.665964
where:
bonds (distance) C4'-P energy: -17.448
bonds (distance) P-C4' energy: -17.193
flat angles C4'-P-C4' energy: -24.987
flat angles P-C4'-P energy: -12.095
tors. eta vs tors. theta energy: -19.943
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -310.192793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.192793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.592793 (E_RNA)
where:
Base-Base interactions energy: -191.324
where: short stacking energy: -89.197
Base-Backbone interact. energy: -0.490
local terms energy: -96.779049
where:
bonds (distance) C4'-P energy: -18.530
bonds (distance) P-C4' energy: -17.206
flat angles C4'-P-C4' energy: -25.608
flat angles P-C4'-P energy: -14.359
tors. eta vs tors. theta energy: -21.077
Dist. restrs. and SS energy: -21.600 (S_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: 22
Temperature: 1.100000
Total energy: -339.898288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.898288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.298288 (E_RNA)
where:
Base-Base interactions energy: -191.756
where: short stacking energy: -71.610
Base-Backbone interact. energy: -0.479
local terms energy: -99.063374
where:
bonds (distance) C4'-P energy: -19.561
bonds (distance) P-C4' energy: -19.231
flat angles C4'-P-C4' energy: -23.595
flat angles P-C4'-P energy: -18.972
tors. eta vs tors. theta energy: -17.704
Dist. restrs. and SS energy: -48.600 (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: 5
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -305.574026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.574026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.574026 (E_RNA)
where:
Base-Base interactions energy: -175.935
where: short stacking energy: -85.220
Base-Backbone interact. energy: -0.153
local terms energy: -93.485107
where:
bonds (distance) C4'-P energy: -18.367
bonds (distance) P-C4' energy: -23.624
flat angles C4'-P-C4' energy: -17.870
flat angles P-C4'-P energy: -15.877
tors. eta vs tors. theta energy: -17.747
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -283.414155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.414155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.414155 (E_RNA)
where:
Base-Base interactions energy: -148.902
where: short stacking energy: -79.463
Base-Backbone interact. energy: -0.234
local terms energy: -98.277784
where:
bonds (distance) C4'-P energy: -21.702
bonds (distance) P-C4' energy: -19.351
flat angles C4'-P-C4' energy: -24.657
flat angles P-C4'-P energy: -9.155
tors. eta vs tors. theta energy: -23.412
Dist. restrs. and SS energy: -36.000 (S_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: 22
Temperature: 1.250000
Total energy: -257.327258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.327258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.327258 (E_RNA)
where:
Base-Base interactions energy: -146.064
where: short stacking energy: -57.792
Base-Backbone interact. energy: -0.067
local terms energy: -75.196550
where:
bonds (distance) C4'-P energy: -19.220
bonds (distance) P-C4' energy: -19.739
flat angles C4'-P-C4' energy: -18.776
flat angles P-C4'-P energy: -8.293
tors. eta vs tors. theta energy: -9.168
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -268.956319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.956319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.956319 (E_RNA)
where:
Base-Base interactions energy: -146.673
where: short stacking energy: -67.970
Base-Backbone interact. energy: -0.303
local terms energy: -85.980267
where:
bonds (distance) C4'-P energy: -24.175
bonds (distance) P-C4' energy: -19.339
flat angles C4'-P-C4' energy: -19.226
flat angles P-C4'-P energy: -8.996
tors. eta vs tors. theta energy: -14.244
Dist. restrs. and SS energy: -36.000 (S_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: 22
Temperature: 1.350000
Total energy: -251.755991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.755991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.755991 (E_RNA)
where:
Base-Base interactions energy: -135.321
where: short stacking energy: -55.235
Base-Backbone interact. energy: -1.403
local terms energy: -79.032421
where:
bonds (distance) C4'-P energy: -18.996
bonds (distance) P-C4' energy: -18.284
flat angles C4'-P-C4' energy: -16.119
flat angles P-C4'-P energy: -15.017
tors. eta vs tors. theta energy: -10.616
Dist. restrs. and SS energy: -36.000 (S_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: 23
Temperature: 0.900000
Total energy: -394.855866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.855866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.455866 (E_RNA)
where:
Base-Base interactions energy: -238.170
where: short stacking energy: -96.541
Base-Backbone interact. energy: -0.683
local terms energy: -105.603069
where:
bonds (distance) C4'-P energy: -23.767
bonds (distance) P-C4' energy: -20.586
flat angles C4'-P-C4' energy: -21.592
flat angles P-C4'-P energy: -17.908
tors. eta vs tors. theta energy: -21.750
Dist. restrs. and SS energy: -50.400 (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: 23
Temperature: 0.950000
Total energy: -339.647711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.647711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.647711 (E_RNA)
where:
Base-Base interactions energy: -202.701
where: short stacking energy: -96.059
Base-Backbone interact. energy: -0.738
local terms energy: -100.209266
where:
bonds (distance) C4'-P energy: -18.256
bonds (distance) P-C4' energy: -24.907
flat angles C4'-P-C4' energy: -21.036
flat angles P-C4'-P energy: -8.594
tors. eta vs tors. theta energy: -27.416
Dist. restrs. and SS energy: -36.000 (S_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: -336.701301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.701301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.901301 (E_RNA)
where:
Base-Base interactions energy: -192.490
where: short stacking energy: -89.352
Base-Backbone interact. energy: -0.895
local terms energy: -114.516068
where:
bonds (distance) C4'-P energy: -22.495
bonds (distance) P-C4' energy: -26.178
flat angles C4'-P-C4' energy: -22.666
flat angles P-C4'-P energy: -17.808
tors. eta vs tors. theta energy: -25.369
Dist. restrs. and SS energy: -28.800 (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: 3
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -361.689557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.689557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.289557 (E_RNA)
where:
Base-Base interactions energy: -215.950
where: short stacking energy: -92.183
Base-Backbone interact. energy: -0.561
local terms energy: -94.778494
where:
bonds (distance) C4'-P energy: -14.976
bonds (distance) P-C4' energy: -24.359
flat angles C4'-P-C4' energy: -20.475
flat angles P-C4'-P energy: -13.838
tors. eta vs tors. theta energy: -21.130
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -296.925158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.925158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.325158 (E_RNA)
where:
Base-Base interactions energy: -180.094
where: short stacking energy: -81.208
Base-Backbone interact. energy: 1.497
local terms energy: -96.728120
where:
bonds (distance) C4'-P energy: -22.461
bonds (distance) P-C4' energy: -20.408
flat angles C4'-P-C4' energy: -26.098
flat angles P-C4'-P energy: -10.624
tors. eta vs tors. theta energy: -17.136
Dist. restrs. and SS energy: -21.600 (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: 6
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -303.507719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.507719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.307719 (E_RNA)
where:
Base-Base interactions energy: -175.094
where: short stacking energy: -73.546
Base-Backbone interact. energy: -1.091
local terms energy: -93.122168
where:
bonds (distance) C4'-P energy: -24.317
bonds (distance) P-C4' energy: -22.020
flat angles C4'-P-C4' energy: -16.139
flat angles P-C4'-P energy: -13.510
tors. eta vs tors. theta energy: -17.136
Dist. restrs. and SS energy: -34.200 (S_DIST_RNA)
chem. 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: -291.058540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.058540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.058540 (E_RNA)
where:
Base-Base interactions energy: -158.326
where: short stacking energy: -68.751
Base-Backbone interact. energy: -0.288
local terms energy: -96.444773
where:
bonds (distance) C4'-P energy: -20.699
bonds (distance) P-C4' energy: -21.408
flat angles C4'-P-C4' energy: -23.563
flat angles P-C4'-P energy: -11.803
tors. eta vs tors. theta energy: -18.971
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -284.660619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.660619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.660619 (E_RNA)
where:
Base-Base interactions energy: -152.255
where: short stacking energy: -76.832
Base-Backbone interact. energy: -0.064
local terms energy: -96.341357
where:
bonds (distance) C4'-P energy: -22.520
bonds (distance) P-C4' energy: -20.977
flat angles C4'-P-C4' energy: -21.824
flat angles P-C4'-P energy: -13.484
tors. eta vs tors. theta energy: -17.536
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -258.540016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.540016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.540016 (E_RNA)
where:
Base-Base interactions energy: -139.242
where: short stacking energy: -56.908
Base-Backbone interact. energy: -0.445
local terms energy: -82.852961
where:
bonds (distance) C4'-P energy: -20.413
bonds (distance) P-C4' energy: -26.491
flat angles C4'-P-C4' energy: -13.166
flat angles P-C4'-P energy: -7.885
tors. eta vs tors. theta energy: -14.897
Dist. restrs. and SS energy: -36.000 (S_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: 23
Temperature: 1.350000
Total energy: -261.725351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.725351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.725351 (E_RNA)
where:
Base-Base interactions energy: -142.978
where: short stacking energy: -58.508
Base-Backbone interact. energy: 0.305
local terms energy: -83.051909
where:
bonds (distance) C4'-P energy: -20.161
bonds (distance) P-C4' energy: -23.031
flat angles C4'-P-C4' energy: -19.647
flat angles P-C4'-P energy: -10.694
tors. eta vs tors. theta energy: -9.519
Dist. restrs. and SS energy: -36.000 (S_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: 24
Temperature: 0.900000
Total energy: -398.996205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.996205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.596205 (E_RNA)
where:
Base-Base interactions energy: -236.359
where: short stacking energy: -105.769
Base-Backbone interact. energy: 0.898
local terms energy: -113.135582
where:
bonds (distance) C4'-P energy: -20.271
bonds (distance) P-C4' energy: -23.163
flat angles C4'-P-C4' energy: -26.370
flat angles P-C4'-P energy: -15.219
tors. eta vs tors. theta energy: -28.113
Dist. restrs. and SS energy: -50.400 (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: 24
Temperature: 0.950000
Total energy: -348.290560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.290560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.290560 (E_RNA)
where:
Base-Base interactions energy: -202.960
where: short stacking energy: -99.453
Base-Backbone interact. energy: 1.391
local terms energy: -110.721847
where:
bonds (distance) C4'-P energy: -22.070
bonds (distance) P-C4' energy: -21.300
flat angles C4'-P-C4' energy: -25.293
flat angles P-C4'-P energy: -16.259
tors. eta vs tors. theta energy: -25.800
Dist. restrs. and SS energy: -36.000 (S_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: 24
Temperature: 1.000000
Total energy: -338.810109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.810109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.010109 (E_RNA)
where:
Base-Base interactions energy: -202.828
where: short stacking energy: -83.425
Base-Backbone interact. energy: -0.189
local terms energy: -106.993270
where:
bonds (distance) C4'-P energy: -22.010
bonds (distance) P-C4' energy: -22.717
flat angles C4'-P-C4' energy: -20.894
flat angles P-C4'-P energy: -18.433
tors. eta vs tors. theta energy: -22.940
Dist. restrs. and SS energy: -28.800 (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: 3
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -355.981207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.981207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.181207 (E_RNA)
where:
Base-Base interactions energy: -203.246
where: short stacking energy: -89.523
Base-Backbone interact. energy: -0.749
local terms energy: -105.186410
where:
bonds (distance) C4'-P energy: -21.414
bonds (distance) P-C4' energy: -21.958
flat angles C4'-P-C4' energy: -23.142
flat angles P-C4'-P energy: -18.366
tors. eta vs tors. theta energy: -20.306
Dist. restrs. and SS energy: -46.800 (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: 6
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -307.130755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.130755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.130755 (E_RNA)
where:
Base-Base interactions energy: -178.460
where: short stacking energy: -72.184
Base-Backbone interact. energy: 1.137
local terms energy: -93.807697
where:
bonds (distance) C4'-P energy: -22.830
bonds (distance) P-C4' energy: -25.445
flat angles C4'-P-C4' energy: -21.381
flat angles P-C4'-P energy: -7.978
tors. eta vs tors. theta energy: -16.173
Dist. restrs. and SS energy: -36.000 (S_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: 24
Temperature: 1.150000
Total energy: -278.177715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.177715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.577715 (E_RNA)
where:
Base-Base interactions energy: -162.605
where: short stacking energy: -68.885
Base-Backbone interact. energy: -0.293
local terms energy: -93.679506
where:
bonds (distance) C4'-P energy: -22.777
bonds (distance) P-C4' energy: -22.284
flat angles C4'-P-C4' energy: -20.534
flat angles P-C4'-P energy: -11.934
tors. eta vs tors. theta energy: -16.151
Dist. restrs. and SS energy: -21.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -300.639396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.639396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.639396 (E_RNA)
where:
Base-Base interactions energy: -159.584
where: short stacking energy: -69.482
Base-Backbone interact. energy: -0.209
local terms energy: -104.846047
where:
bonds (distance) C4'-P energy: -19.140
bonds (distance) P-C4' energy: -25.951
flat angles C4'-P-C4' energy: -23.225
flat angles P-C4'-P energy: -17.849
tors. eta vs tors. theta energy: -18.681
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -282.112143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.112143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.112143 (E_RNA)
where:
Base-Base interactions energy: -156.551
where: short stacking energy: -81.143
Base-Backbone interact. energy: -0.008
local terms energy: -89.553152
where:
bonds (distance) C4'-P energy: -19.643
bonds (distance) P-C4' energy: -17.021
flat angles C4'-P-C4' energy: -22.066
flat angles P-C4'-P energy: -13.220
tors. eta vs tors. theta energy: -17.603
Dist. restrs. and SS energy: -36.000 (S_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: 24
Temperature: 1.300000
Total energy: -265.131773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.131773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.931773 (E_RNA)
where:
Base-Base interactions energy: -141.489
where: short stacking energy: -72.395
Base-Backbone interact. energy: -0.253
local terms energy: -89.189466
where:
bonds (distance) C4'-P energy: -23.898
bonds (distance) P-C4' energy: -19.418
flat angles C4'-P-C4' energy: -17.044
flat angles P-C4'-P energy: -14.715
tors. eta vs tors. theta energy: -14.114
Dist. restrs. and SS energy: -34.200 (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: 2
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -246.898184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.898184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.898184 (E_RNA)
where:
Base-Base interactions energy: -126.400
where: short stacking energy: -49.561
Base-Backbone interact. energy: -0.986
local terms energy: -83.511919
where:
bonds (distance) C4'-P energy: -20.964
bonds (distance) P-C4' energy: -23.560
flat angles C4'-P-C4' energy: -18.363
flat angles P-C4'-P energy: -16.179
tors. eta vs tors. theta energy: -4.446
Dist. restrs. and SS energy: -36.000 (S_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: 25
Temperature: 0.900000
Total energy: -401.612759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.612759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.212759 (E_RNA)
where:
Base-Base interactions energy: -246.899
where: short stacking energy: -92.139
Base-Backbone interact. energy: -0.110
local terms energy: -104.203647
where:
bonds (distance) C4'-P energy: -20.425
bonds (distance) P-C4' energy: -23.712
flat angles C4'-P-C4' energy: -24.389
flat angles P-C4'-P energy: -15.804
tors. eta vs tors. theta energy: -19.873
Dist. restrs. and SS energy: -50.400 (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: 4
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -356.448010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.448010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.648010 (E_RNA)
where:
Base-Base interactions energy: -212.969
where: short stacking energy: -97.985
Base-Backbone interact. energy: -0.239
local terms energy: -114.439569
where:
bonds (distance) C4'-P energy: -23.387
bonds (distance) P-C4' energy: -25.114
flat angles C4'-P-C4' energy: -19.902
flat angles P-C4'-P energy: -17.103
tors. eta vs tors. theta energy: -28.934
Dist. restrs. and SS energy: -28.800 (S_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: 25
Temperature: 1.000000
Total energy: -343.988183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.988183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.788183 (E_RNA)
where:
Base-Base interactions energy: -201.586
where: short stacking energy: -89.871
Base-Backbone interact. energy: -0.211
local terms energy: -107.991390
where:
bonds (distance) C4'-P energy: -23.058
bonds (distance) P-C4' energy: -20.506
flat angles C4'-P-C4' energy: -25.436
flat angles P-C4'-P energy: -14.683
tors. eta vs tors. theta energy: -24.309
Dist. restrs. and SS energy: -34.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -328.082652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.082652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.082652 (E_RNA)
where:
Base-Base interactions energy: -187.848
where: short stacking energy: -91.201
Base-Backbone interact. energy: -0.564
local terms energy: -103.671066
where:
bonds (distance) C4'-P energy: -18.984
bonds (distance) P-C4' energy: -19.491
flat angles C4'-P-C4' energy: -24.496
flat angles P-C4'-P energy: -19.133
tors. eta vs tors. theta energy: -21.567
Dist. restrs. and SS energy: -36.000 (S_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: 25
Temperature: 1.100000
Total energy: -352.172330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.172330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.372330 (E_RNA)
where:
Base-Base interactions energy: -205.642
where: short stacking energy: -89.253
Base-Backbone interact. energy: -0.191
local terms energy: -99.539494
where:
bonds (distance) C4'-P energy: -20.528
bonds (distance) P-C4' energy: -15.751
flat angles C4'-P-C4' energy: -22.556
flat angles P-C4'-P energy: -18.238
tors. eta vs tors. theta energy: -22.466
Dist. restrs. and SS energy: -46.800 (S_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: 25
Temperature: 1.150000
Total energy: -283.152673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.152673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.152673 (E_RNA)
where:
Base-Base interactions energy: -156.240
where: short stacking energy: -70.134
Base-Backbone interact. energy: -0.528
local terms energy: -90.384570
where:
bonds (distance) C4'-P energy: -15.454
bonds (distance) P-C4' energy: -21.768
flat angles C4'-P-C4' energy: -24.405
flat angles P-C4'-P energy: -13.163
tors. eta vs tors. theta energy: -15.596
Dist. restrs. and SS energy: -36.000 (S_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: 25
Temperature: 1.200000
Total energy: -284.119565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.119565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.119565 (E_RNA)
where:
Base-Base interactions energy: -181.610
where: short stacking energy: -75.604
Base-Backbone interact. energy: 0.191
local terms energy: -75.700903
where:
bonds (distance) C4'-P energy: -13.711
bonds (distance) P-C4' energy: -14.496
flat angles C4'-P-C4' energy: -20.751
flat angles P-C4'-P energy: -15.252
tors. eta vs tors. theta energy: -11.491
Dist. restrs. and SS energy: -27.000 (S_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: 25
Temperature: 1.250000
Total energy: -271.367159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.367159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.567159 (E_RNA)
where:
Base-Base interactions energy: -160.690
where: short stacking energy: -75.175
Base-Backbone interact. energy: 0.057
local terms energy: -81.934619
where:
bonds (distance) C4'-P energy: -18.744
bonds (distance) P-C4' energy: -20.978
flat angles C4'-P-C4' energy: -12.616
flat angles P-C4'-P energy: -12.352
tors. eta vs tors. theta energy: -17.245
Dist. restrs. and SS energy: -28.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -269.085141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.085141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.885141 (E_RNA)
where:
Base-Base interactions energy: -150.368
where: short stacking energy: -73.146
Base-Backbone interact. energy: -0.434
local terms energy: -84.082403
where:
bonds (distance) C4'-P energy: -21.958
bonds (distance) P-C4' energy: -20.429
flat angles C4'-P-C4' energy: -18.663
flat angles P-C4'-P energy: -9.014
tors. eta vs tors. theta energy: -14.018
Dist. restrs. and SS energy: -34.200 (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: 2
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -263.668820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.668820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.668820 (E_RNA)
where:
Base-Base interactions energy: -151.590
where: short stacking energy: -73.090
Base-Backbone interact. energy: 1.201
local terms energy: -77.279997
where:
bonds (distance) C4'-P energy: -20.314
bonds (distance) P-C4' energy: -21.753
flat angles C4'-P-C4' energy: -8.203
flat angles P-C4'-P energy: -8.010
tors. eta vs tors. theta energy: -19.000
Dist. restrs. and SS energy: -36.000 (S_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: 26
Temperature: 0.900000
Total energy: -401.238416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.238416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.438416 (E_RNA)
where:
Base-Base interactions energy: -245.829
where: short stacking energy: -85.415
Base-Backbone interact. energy: -0.052
local terms energy: -108.556972
where:
bonds (distance) C4'-P energy: -21.120
bonds (distance) P-C4' energy: -25.502
flat angles C4'-P-C4' energy: -25.506
flat angles P-C4'-P energy: -13.461
tors. eta vs tors. theta energy: -22.967
Dist. restrs. and SS energy: -46.800 (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: 4
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -341.343412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.343412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.743412 (E_RNA)
where:
Base-Base interactions energy: -211.060
where: short stacking energy: -94.484
Base-Backbone interact. energy: -2.056
local terms energy: -97.626760
where:
bonds (distance) C4'-P energy: -23.943
bonds (distance) P-C4' energy: -20.565
flat angles C4'-P-C4' energy: -17.127
flat angles P-C4'-P energy: -14.912
tors. eta vs tors. theta energy: -21.080
Dist. restrs. and SS energy: -30.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -344.068290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.068290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.868290 (E_RNA)
where:
Base-Base interactions energy: -206.177
where: short stacking energy: -94.511
Base-Backbone interact. energy: -0.173
local terms energy: -103.518678
where:
bonds (distance) C4'-P energy: -23.275
bonds (distance) P-C4' energy: -23.309
flat angles C4'-P-C4' energy: -22.122
flat angles P-C4'-P energy: -9.944
tors. eta vs tors. theta energy: -24.869
Dist. restrs. and SS energy: -34.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -336.113590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.113590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.113590 (E_RNA)
where:
Base-Base interactions energy: -205.792
where: short stacking energy: -84.954
Base-Backbone interact. energy: 0.346
local terms energy: -94.667472
where:
bonds (distance) C4'-P energy: -16.973
bonds (distance) P-C4' energy: -23.295
flat angles C4'-P-C4' energy: -21.601
flat angles P-C4'-P energy: -6.007
tors. eta vs tors. theta energy: -26.791
Dist. restrs. and SS energy: -36.000 (S_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: 26
Temperature: 1.100000
Total energy: -365.541021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.541021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.141021 (E_RNA)
where:
Base-Base interactions energy: -212.185
where: short stacking energy: -90.988
Base-Backbone interact. energy: -1.222
local terms energy: -101.733663
where:
bonds (distance) C4'-P energy: -23.004
bonds (distance) P-C4' energy: -17.284
flat angles C4'-P-C4' energy: -26.705
flat angles P-C4'-P energy: -9.236
tors. eta vs tors. theta energy: -25.504
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -295.033336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.033336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.033336 (E_RNA)
where:
Base-Base interactions energy: -174.512
where: short stacking energy: -83.492
Base-Backbone interact. energy: -0.528
local terms energy: -83.993981
where:
bonds (distance) C4'-P energy: -19.635
bonds (distance) P-C4' energy: -11.753
flat angles C4'-P-C4' energy: -22.801
flat angles P-C4'-P energy: -13.368
tors. eta vs tors. theta energy: -16.437
Dist. restrs. and SS energy: -36.000 (S_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: 26
Temperature: 1.200000
Total energy: -292.520302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.520302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.520302 (E_RNA)
where:
Base-Base interactions energy: -167.180
where: short stacking energy: -78.305
Base-Backbone interact. energy: -0.279
local terms energy: -89.061296
where:
bonds (distance) C4'-P energy: -12.680
bonds (distance) P-C4' energy: -21.618
flat angles C4'-P-C4' energy: -23.515
flat angles P-C4'-P energy: -14.690
tors. eta vs tors. theta energy: -16.558
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -235.095845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.095845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.095845 (E_RNA)
where:
Base-Base interactions energy: -119.421
where: short stacking energy: -59.775
Base-Backbone interact. energy: 1.361
local terms energy: -81.035960
where:
bonds (distance) C4'-P energy: -14.528
bonds (distance) P-C4' energy: -20.298
flat angles C4'-P-C4' energy: -23.517
flat angles P-C4'-P energy: -11.203
tors. eta vs tors. theta energy: -11.489
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -277.677065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.677065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.677065 (E_RNA)
where:
Base-Base interactions energy: -145.460
where: short stacking energy: -70.573
Base-Backbone interact. energy: -0.092
local terms energy: -96.124863
where:
bonds (distance) C4'-P energy: -21.846
bonds (distance) P-C4' energy: -25.411
flat angles C4'-P-C4' energy: -19.171
flat angles P-C4'-P energy: -16.965
tors. eta vs tors. theta energy: -12.731
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -262.766064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.766064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.566064 (E_RNA)
where:
Base-Base interactions energy: -144.093
where: short stacking energy: -64.023
Base-Backbone interact. energy: -0.044
local terms energy: -84.429389
where:
bonds (distance) C4'-P energy: -20.526
bonds (distance) P-C4' energy: -24.174
flat angles C4'-P-C4' energy: -15.005
flat angles P-C4'-P energy: -12.225
tors. eta vs tors. theta energy: -12.499
Dist. restrs. and SS energy: -34.200 (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: 10
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -408.460822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.460822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.860822 (E_RNA)
where:
Base-Base interactions energy: -245.079
where: short stacking energy: -94.769
Base-Backbone interact. energy: -0.609
local terms energy: -114.172625
where:
bonds (distance) C4'-P energy: -24.444
bonds (distance) P-C4' energy: -24.793
flat angles C4'-P-C4' energy: -25.162
flat angles P-C4'-P energy: -15.539
tors. eta vs tors. theta energy: -24.234
Dist. restrs. and SS energy: -48.600 (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: 4
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -350.768331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.768331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.368331 (E_RNA)
where:
Base-Base interactions energy: -211.979
where: short stacking energy: -87.148
Base-Backbone interact. energy: -0.350
local terms energy: -106.039715
where:
bonds (distance) C4'-P energy: -18.899
bonds (distance) P-C4' energy: -25.775
flat angles C4'-P-C4' energy: -23.222
flat angles P-C4'-P energy: -9.435
tors. eta vs tors. theta energy: -28.709
Dist. restrs. and SS energy: -32.400 (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: 6
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -337.290327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.290327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.290327 (E_RNA)
where:
Base-Base interactions energy: -188.473
where: short stacking energy: -93.707
Base-Backbone interact. energy: -0.617
local terms energy: -112.199610
where:
bonds (distance) C4'-P energy: -21.813
bonds (distance) P-C4' energy: -22.530
flat angles C4'-P-C4' energy: -25.461
flat angles P-C4'-P energy: -15.234
tors. eta vs tors. theta energy: -27.162
Dist. restrs. and SS energy: -36.000 (S_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: 27
Temperature: 1.050000
Total energy: -385.872411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.872411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.472411 (E_RNA)
where:
Base-Base interactions energy: -219.613
where: short stacking energy: -92.777
Base-Backbone interact. energy: -0.368
local terms energy: -115.492128
where:
bonds (distance) C4'-P energy: -21.142
bonds (distance) P-C4' energy: -24.660
flat angles C4'-P-C4' energy: -24.926
flat angles P-C4'-P energy: -18.467
tors. eta vs tors. theta energy: -26.297
Dist. restrs. and SS energy: -50.400 (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: 9
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -311.777255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.777255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.777255 (E_RNA)
where:
Base-Base interactions energy: -194.790
where: short stacking energy: -78.509
Base-Backbone interact. energy: -0.214
local terms energy: -80.773548
where:
bonds (distance) C4'-P energy: -14.610
bonds (distance) P-C4' energy: -14.302
flat angles C4'-P-C4' energy: -18.554
flat angles P-C4'-P energy: -11.660
tors. eta vs tors. theta energy: -21.648
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -287.047453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.047453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.047453 (E_RNA)
where:
Base-Base interactions energy: -158.747
where: short stacking energy: -68.862
Base-Backbone interact. energy: -0.147
local terms energy: -92.153240
where:
bonds (distance) C4'-P energy: -15.114
bonds (distance) P-C4' energy: -20.371
flat angles C4'-P-C4' energy: -21.447
flat angles P-C4'-P energy: -17.333
tors. eta vs tors. theta energy: -17.887
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -296.410867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.410867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.410867 (E_RNA)
where:
Base-Base interactions energy: -168.271
where: short stacking energy: -77.244
Base-Backbone interact. energy: -0.034
local terms energy: -92.106084
where:
bonds (distance) C4'-P energy: -15.291
bonds (distance) P-C4' energy: -20.385
flat angles C4'-P-C4' energy: -21.845
flat angles P-C4'-P energy: -10.547
tors. eta vs tors. theta energy: -24.038
Dist. restrs. and SS energy: -36.000 (S_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: -216.834213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.834213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.034213 (E_RNA)
where:
Base-Base interactions energy: -104.989
where: short stacking energy: -54.927
Base-Backbone interact. energy: 0.410
local terms energy: -83.455169
where:
bonds (distance) C4'-P energy: -21.103
bonds (distance) P-C4' energy: -20.878
flat angles C4'-P-C4' energy: -21.589
flat angles P-C4'-P energy: -13.991
tors. eta vs tors. theta energy: -5.895
Dist. restrs. and SS energy: -28.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -270.167152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.167152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.967152 (E_RNA)
where:
Base-Base interactions energy: -159.472
where: short stacking energy: -73.364
Base-Backbone interact. energy: -0.767
local terms energy: -75.727248
where:
bonds (distance) C4'-P energy: -17.859
bonds (distance) P-C4' energy: -8.150
flat angles C4'-P-C4' energy: -21.852
flat angles P-C4'-P energy: -8.925
tors. eta vs tors. theta energy: -18.941
Dist. restrs. and SS energy: -34.200 (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: 8
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -250.309197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.309197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.309197 (E_RNA)
where:
Base-Base interactions energy: -130.317
where: short stacking energy: -61.433
Base-Backbone interact. energy: -0.436
local terms energy: -83.555980
where:
bonds (distance) C4'-P energy: -23.530
bonds (distance) P-C4' energy: -20.952
flat angles C4'-P-C4' energy: -19.778
flat angles P-C4'-P energy: -9.980
tors. eta vs tors. theta energy: -9.316
Dist. restrs. and SS energy: -36.000 (S_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: 28
Temperature: 0.900000
Total energy: -409.820893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.820893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.420893 (E_RNA)
where:
Base-Base interactions energy: -246.389
where: short stacking energy: -100.483
Base-Backbone interact. energy: -0.628
local terms energy: -112.404362
where:
bonds (distance) C4'-P energy: -22.603
bonds (distance) P-C4' energy: -24.049
flat angles C4'-P-C4' energy: -21.290
flat angles P-C4'-P energy: -14.401
tors. eta vs tors. theta energy: -30.062
Dist. restrs. and SS energy: -50.400 (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: 4
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -360.624057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.624057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.024057 (E_RNA)
where:
Base-Base interactions energy: -218.732
where: short stacking energy: -99.508
Base-Backbone interact. energy: -0.015
local terms energy: -111.277384
where:
bonds (distance) C4'-P energy: -20.919
bonds (distance) P-C4' energy: -22.784
flat angles C4'-P-C4' energy: -24.266
flat angles P-C4'-P energy: -15.395
tors. eta vs tors. theta energy: -27.913
Dist. restrs. and SS energy: -30.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -374.701526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.701526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.301526 (E_RNA)
where:
Base-Base interactions energy: -213.511
where: short stacking energy: -87.957
Base-Backbone interact. energy: -0.347
local terms energy: -110.442707
where:
bonds (distance) C4'-P energy: -21.907
bonds (distance) P-C4' energy: -22.682
flat angles C4'-P-C4' energy: -23.845
flat angles P-C4'-P energy: -17.202
tors. eta vs tors. theta energy: -24.808
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -311.786761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.786761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.786761 (E_RNA)
where:
Base-Base interactions energy: -174.206
where: short stacking energy: -91.496
Base-Backbone interact. energy: -0.969
local terms energy: -100.612295
where:
bonds (distance) C4'-P energy: -19.680
bonds (distance) P-C4' energy: -20.050
flat angles C4'-P-C4' energy: -23.981
flat angles P-C4'-P energy: -16.071
tors. eta vs tors. theta energy: -20.830
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -311.151543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.151543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.151543 (E_RNA)
where:
Base-Base interactions energy: -174.399
where: short stacking energy: -87.435
Base-Backbone interact. energy: 1.681
local terms energy: -102.433780
where:
bonds (distance) C4'-P energy: -24.033
bonds (distance) P-C4' energy: -20.746
flat angles C4'-P-C4' energy: -22.864
flat angles P-C4'-P energy: -15.045
tors. eta vs tors. theta energy: -19.746
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -290.908365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.908365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.908365 (E_RNA)
where:
Base-Base interactions energy: -168.565
where: short stacking energy: -72.753
Base-Backbone interact. energy: -0.225
local terms energy: -86.118163
where:
bonds (distance) C4'-P energy: -19.974
bonds (distance) P-C4' energy: -22.521
flat angles C4'-P-C4' energy: -14.016
flat angles P-C4'-P energy: -16.380
tors. eta vs tors. theta energy: -13.228
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -283.865427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.865427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.865427 (E_RNA)
where:
Base-Base interactions energy: -157.198
where: short stacking energy: -65.513
Base-Backbone interact. energy: -0.180
local terms energy: -90.487898
where:
bonds (distance) C4'-P energy: -18.415
bonds (distance) P-C4' energy: -19.971
flat angles C4'-P-C4' energy: -15.508
flat angles P-C4'-P energy: -18.554
tors. eta vs tors. theta energy: -18.041
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -213.980398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.980398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.180398 (E_RNA)
where:
Base-Base interactions energy: -108.422
where: short stacking energy: -59.355
Base-Backbone interact. energy: 0.546
local terms energy: -77.303888
where:
bonds (distance) C4'-P energy: -14.820
bonds (distance) P-C4' energy: -21.999
flat angles C4'-P-C4' energy: -15.938
flat angles P-C4'-P energy: -11.857
tors. eta vs tors. theta energy: -12.690
Dist. restrs. and SS energy: -28.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -287.166220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.166220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.766220 (E_RNA)
where:
Base-Base interactions energy: -154.725
where: short stacking energy: -71.909
Base-Backbone interact. energy: -0.430
local terms energy: -99.610554
where:
bonds (distance) C4'-P energy: -19.861
bonds (distance) P-C4' energy: -24.964
flat angles C4'-P-C4' energy: -23.744
flat angles P-C4'-P energy: -12.711
tors. eta vs tors. theta energy: -18.330
Dist. restrs. and SS energy: -32.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -261.905584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.905584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.905584 (E_RNA)
where:
Base-Base interactions energy: -145.146
where: short stacking energy: -60.525
Base-Backbone interact. energy: -1.240
local terms energy: -79.519487
where:
bonds (distance) C4'-P energy: -17.590
bonds (distance) P-C4' energy: -23.042
flat angles C4'-P-C4' energy: -19.819
flat angles P-C4'-P energy: -8.393
tors. eta vs tors. theta energy: -10.675
Dist. restrs. and SS energy: -36.000 (S_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: 29
Temperature: 0.900000
Total energy: -406.199715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.199715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.799715 (E_RNA)
where:
Base-Base interactions energy: -241.789
where: short stacking energy: -101.835
Base-Backbone interact. energy: -0.492
local terms energy: -113.518150
where:
bonds (distance) C4'-P energy: -24.687
bonds (distance) P-C4' energy: -23.551
flat angles C4'-P-C4' energy: -22.486
flat angles P-C4'-P energy: -13.744
tors. eta vs tors. theta energy: -29.050
Dist. restrs. and SS energy: -50.400 (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: 29
Temperature: 0.950000
Total energy: -399.594449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.594449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.194449 (E_RNA)
where:
Base-Base interactions energy: -244.532
where: short stacking energy: -95.097
Base-Backbone interact. energy: -0.909
local terms energy: -103.753774
where:
bonds (distance) C4'-P energy: -18.857
bonds (distance) P-C4' energy: -23.003
flat angles C4'-P-C4' energy: -22.384
flat angles P-C4'-P energy: -10.688
tors. eta vs tors. theta energy: -28.823
Dist. restrs. and SS energy: -50.400 (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: 29
Temperature: 1.000000
Total energy: -356.180093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.180093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.580093 (E_RNA)
where:
Base-Base interactions energy: -213.870
where: short stacking energy: -95.536
Base-Backbone interact. energy: -0.644
local terms energy: -111.065611
where:
bonds (distance) C4'-P energy: -23.285
bonds (distance) P-C4' energy: -25.221
flat angles C4'-P-C4' energy: -25.185
flat angles P-C4'-P energy: -16.074
tors. eta vs tors. theta energy: -21.302
Dist. restrs. and SS energy: -30.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -315.158205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.158205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.958205 (E_RNA)
where:
Base-Base interactions energy: -186.599
where: short stacking energy: -87.004
Base-Backbone interact. energy: 0.783
local terms energy: -95.141907
where:
bonds (distance) C4'-P energy: -23.237
bonds (distance) P-C4' energy: -20.432
flat angles C4'-P-C4' energy: -19.793
flat angles P-C4'-P energy: -14.028
tors. eta vs tors. theta energy: -17.651
Dist. restrs. and SS energy: -34.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -321.725917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.725917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.725917 (E_RNA)
where:
Base-Base interactions energy: -191.581
where: short stacking energy: -75.096
Base-Backbone interact. energy: -0.267
local terms energy: -93.878422
where:
bonds (distance) C4'-P energy: -14.969
bonds (distance) P-C4' energy: -22.306
flat angles C4'-P-C4' energy: -22.846
flat angles P-C4'-P energy: -14.886
tors. eta vs tors. theta energy: -18.871
Dist. restrs. and SS energy: -36.000 (S_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: -275.552009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.552009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.552009 (E_RNA)
where:
Base-Base interactions energy: -149.374
where: short stacking energy: -64.187
Base-Backbone interact. energy: 0.410
local terms energy: -90.588488
where:
bonds (distance) C4'-P energy: -22.016
bonds (distance) P-C4' energy: -23.888
flat angles C4'-P-C4' energy: -16.487
flat angles P-C4'-P energy: -15.666
tors. eta vs tors. theta energy: -12.531
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -311.775265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.775265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.775265 (E_RNA)
where:
Base-Base interactions energy: -182.826
where: short stacking energy: -71.056
Base-Backbone interact. energy: -0.239
local terms energy: -92.710246
where:
bonds (distance) C4'-P energy: -19.519
bonds (distance) P-C4' energy: -19.012
flat angles C4'-P-C4' energy: -21.581
flat angles P-C4'-P energy: -14.713
tors. eta vs tors. theta energy: -17.885
Dist. restrs. and SS energy: -36.000 (S_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: 29
Temperature: 1.250000
Total energy: -283.057362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.057362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.857362 (E_RNA)
where:
Base-Base interactions energy: -151.851
where: short stacking energy: -72.931
Base-Backbone interact. energy: -1.878
local terms energy: -95.128636
where:
bonds (distance) C4'-P energy: -21.352
bonds (distance) P-C4' energy: -23.294
flat angles C4'-P-C4' energy: -17.350
flat angles P-C4'-P energy: -13.523
tors. eta vs tors. theta energy: -19.610
Dist. restrs. and SS energy: -34.200 (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: 7
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -230.672516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.672516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.872516 (E_RNA)
where:
Base-Base interactions energy: -125.649
where: short stacking energy: -63.180
Base-Backbone interact. energy: 1.345
local terms energy: -77.568486
where:
bonds (distance) C4'-P energy: -13.860
bonds (distance) P-C4' energy: -18.491
flat angles C4'-P-C4' energy: -18.830
flat angles P-C4'-P energy: -8.971
tors. eta vs tors. theta energy: -17.417
Dist. restrs. and SS energy: -28.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -256.036505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.036505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.036505 (E_RNA)
where:
Base-Base interactions energy: -131.344
where: short stacking energy: -55.655
Base-Backbone interact. energy: -0.349
local terms energy: -88.343975
where:
bonds (distance) C4'-P energy: -21.663
bonds (distance) P-C4' energy: -17.850
flat angles C4'-P-C4' energy: -20.525
flat angles P-C4'-P energy: -17.670
tors. eta vs tors. theta energy: -10.636
Dist. restrs. and SS energy: -36.000 (S_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: 30
Temperature: 0.900000
Total energy: -411.957058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.957058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.557058 (E_RNA)
where:
Base-Base interactions energy: -254.603
where: short stacking energy: -93.790
Base-Backbone interact. energy: -0.305
local terms energy: -106.649044
where:
bonds (distance) C4'-P energy: -23.517
bonds (distance) P-C4' energy: -19.614
flat angles C4'-P-C4' energy: -24.319
flat angles P-C4'-P energy: -14.598
tors. eta vs tors. theta energy: -24.601
Dist. restrs. and SS energy: -50.400 (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: 30
Temperature: 0.950000
Total energy: -389.337777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.337777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.737777 (E_RNA)
where:
Base-Base interactions energy: -224.719
where: short stacking energy: -96.975
Base-Backbone interact. energy: -1.797
local terms energy: -114.221741
where:
bonds (distance) C4'-P energy: -24.822
bonds (distance) P-C4' energy: -22.424
flat angles C4'-P-C4' energy: -23.231
flat angles P-C4'-P energy: -17.004
tors. eta vs tors. theta energy: -26.741
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -357.330914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.330914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.130914 (E_RNA)
where:
Base-Base interactions energy: -222.492
where: short stacking energy: -88.429
Base-Backbone interact. energy: 0.223
local terms energy: -100.861697
where:
bonds (distance) C4'-P energy: -22.482
bonds (distance) P-C4' energy: -24.381
flat angles C4'-P-C4' energy: -20.038
flat angles P-C4'-P energy: -12.219
tors. eta vs tors. theta energy: -21.742
Dist. restrs. and SS energy: -34.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -312.254914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.254914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.254914 (E_RNA)
where:
Base-Base interactions energy: -184.497
where: short stacking energy: -73.140
Base-Backbone interact. energy: -0.229
local terms energy: -91.529427
where:
bonds (distance) C4'-P energy: -23.687
bonds (distance) P-C4' energy: -19.711
flat angles C4'-P-C4' energy: -15.077
flat angles P-C4'-P energy: -14.170
tors. eta vs tors. theta energy: -18.884
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -324.972488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.972488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.772488 (E_RNA)
where:
Base-Base interactions energy: -193.830
where: short stacking energy: -77.804
Base-Backbone interact. energy: -0.351
local terms energy: -96.591483
where:
bonds (distance) C4'-P energy: -22.795
bonds (distance) P-C4' energy: -18.162
flat angles C4'-P-C4' energy: -19.853
flat angles P-C4'-P energy: -19.159
tors. eta vs tors. theta energy: -16.623
Dist. restrs. and SS energy: -34.200 (S_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: -284.086237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.086237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.086237 (E_RNA)
where:
Base-Base interactions energy: -159.108
where: short stacking energy: -69.299
Base-Backbone interact. energy: -0.933
local terms energy: -88.045208
where:
bonds (distance) C4'-P energy: -17.367
bonds (distance) P-C4' energy: -16.594
flat angles C4'-P-C4' energy: -23.549
flat angles P-C4'-P energy: -14.786
tors. eta vs tors. theta energy: -15.749
Dist. restrs. and SS energy: -36.000 (S_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: 30
Temperature: 1.200000
Total energy: -288.123578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.123578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.123578 (E_RNA)
where:
Base-Base interactions energy: -166.149
where: short stacking energy: -66.952
Base-Backbone interact. energy: -0.250
local terms energy: -85.724159
where:
bonds (distance) C4'-P energy: -17.896
bonds (distance) P-C4' energy: -21.809
flat angles C4'-P-C4' energy: -22.235
flat angles P-C4'-P energy: -9.396
tors. eta vs tors. theta energy: -14.387
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -291.949465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.949465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.749465 (E_RNA)
where:
Base-Base interactions energy: -181.273
where: short stacking energy: -69.656
Base-Backbone interact. energy: -0.122
local terms energy: -76.355148
where:
bonds (distance) C4'-P energy: -15.760
bonds (distance) P-C4' energy: -20.489
flat angles C4'-P-C4' energy: -21.475
flat angles P-C4'-P energy: -8.150
tors. eta vs tors. theta energy: -10.481
Dist. restrs. and SS energy: -34.200 (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: 30
Temperature: 1.300000
Total energy: -256.290030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.290030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.290030 (E_RNA)
where:
Base-Base interactions energy: -133.039
where: short stacking energy: -53.250
Base-Backbone interact. energy: -0.202
local terms energy: -87.048714
where:
bonds (distance) C4'-P energy: -23.712
bonds (distance) P-C4' energy: -26.629
flat angles C4'-P-C4' energy: -21.630
flat angles P-C4'-P energy: -11.540
tors. eta vs tors. theta energy: -3.538
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -214.072486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.072486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.672486 (E_RNA)
where:
Base-Base interactions energy: -119.367
where: short stacking energy: -44.296
Base-Backbone interact. energy: 0.576
local terms energy: -62.882052
where:
bonds (distance) C4'-P energy: -22.751
bonds (distance) P-C4' energy: -15.815
flat angles C4'-P-C4' energy: -13.339
flat angles P-C4'-P energy: -7.673
tors. eta vs tors. theta energy: -3.304
Dist. restrs. and SS energy: -32.400 (S_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: 31
Temperature: 0.900000
Total energy: -415.236291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.236291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.836291 (E_RNA)
where:
Base-Base interactions energy: -249.073
where: short stacking energy: -103.575
Base-Backbone interact. energy: -0.289
local terms energy: -115.474817
where:
bonds (distance) C4'-P energy: -20.172
bonds (distance) P-C4' energy: -25.111
flat angles C4'-P-C4' energy: -24.057
flat angles P-C4'-P energy: -14.984
tors. eta vs tors. theta energy: -31.150
Dist. restrs. and SS energy: -50.400 (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: 31
Temperature: 0.950000
Total energy: -387.456529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.456529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.656529 (E_RNA)
where:
Base-Base interactions energy: -233.603
where: short stacking energy: -99.631
Base-Backbone interact. energy: -1.102
local terms energy: -105.951562
where:
bonds (distance) C4'-P energy: -20.885
bonds (distance) P-C4' energy: -23.722
flat angles C4'-P-C4' energy: -23.537
flat angles P-C4'-P energy: -13.339
tors. eta vs tors. theta energy: -24.469
Dist. restrs. and SS energy: -46.800 (S_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: 31
Temperature: 1.000000
Total energy: -349.402473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.402473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.602473 (E_RNA)
where:
Base-Base interactions energy: -206.027
where: short stacking energy: -97.212
Base-Backbone interact. energy: -0.838
local terms energy: -113.737460
where:
bonds (distance) C4'-P energy: -24.280
bonds (distance) P-C4' energy: -20.119
flat angles C4'-P-C4' energy: -23.578
flat angles P-C4'-P energy: -18.390
tors. eta vs tors. theta energy: -27.370
Dist. restrs. and SS energy: -28.800 (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: 1
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -319.939248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.939248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.739248 (E_RNA)
where:
Base-Base interactions energy: -181.538
where: short stacking energy: -90.672
Base-Backbone interact. energy: -0.454
local terms energy: -103.747039
where:
bonds (distance) C4'-P energy: -20.165
bonds (distance) P-C4' energy: -23.789
flat angles C4'-P-C4' energy: -20.863
flat angles P-C4'-P energy: -18.624
tors. eta vs tors. theta energy: -20.306
Dist. restrs. and SS energy: -34.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -308.855534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.855534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.655534 (E_RNA)
where:
Base-Base interactions energy: -173.137
where: short stacking energy: -84.854
Base-Backbone interact. energy: -0.175
local terms energy: -101.343458
where:
bonds (distance) C4'-P energy: -17.853
bonds (distance) P-C4' energy: -21.771
flat angles C4'-P-C4' energy: -22.112
flat angles P-C4'-P energy: -17.441
tors. eta vs tors. theta energy: -22.166
Dist. restrs. and SS energy: -34.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -299.382942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.382942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.182942 (E_RNA)
where:
Base-Base interactions energy: -161.788
where: short stacking energy: -76.142
Base-Backbone interact. energy: -0.558
local terms energy: -102.836854
where:
bonds (distance) C4'-P energy: -17.594
bonds (distance) P-C4' energy: -24.221
flat angles C4'-P-C4' energy: -27.735
flat angles P-C4'-P energy: -10.779
tors. eta vs tors. theta energy: -22.508
Dist. restrs. and SS energy: -34.200 (S_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: 31
Temperature: 1.200000
Total energy: -282.595692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.595692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.395692 (E_RNA)
where:
Base-Base interactions energy: -150.558
where: short stacking energy: -57.967
Base-Backbone interact. energy: 1.231
local terms energy: -99.068806
where:
bonds (distance) C4'-P energy: -25.487
bonds (distance) P-C4' energy: -19.281
flat angles C4'-P-C4' energy: -24.275
flat angles P-C4'-P energy: -18.384
tors. eta vs tors. theta energy: -11.642
Dist. restrs. and SS energy: -34.200 (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: 9
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -287.267652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.267652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.067652 (E_RNA)
where:
Base-Base interactions energy: -159.588
where: short stacking energy: -71.259
Base-Backbone interact. energy: -0.291
local terms energy: -93.187966
where:
bonds (distance) C4'-P energy: -20.301
bonds (distance) P-C4' energy: -18.787
flat angles C4'-P-C4' energy: -21.649
flat angles P-C4'-P energy: -16.528
tors. eta vs tors. theta energy: -15.923
Dist. restrs. and SS energy: -34.200 (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: 31
Temperature: 1.300000
Total energy: -270.377691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.377691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.177691 (E_RNA)
where:
Base-Base interactions energy: -148.694
where: short stacking energy: -70.267
Base-Backbone interact. energy: -0.415
local terms energy: -87.068996
where:
bonds (distance) C4'-P energy: -15.930
bonds (distance) P-C4' energy: -22.744
flat angles C4'-P-C4' energy: -17.948
flat angles P-C4'-P energy: -11.368
tors. eta vs tors. theta energy: -19.080
Dist. restrs. and SS energy: -34.200 (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: 31
Temperature: 1.350000
Total energy: -219.543080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.543080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.743080 (E_RNA)
where:
Base-Base interactions energy: -112.398
where: short stacking energy: -36.626
Base-Backbone interact. energy: -1.534
local terms energy: -76.810951
where:
bonds (distance) C4'-P energy: -20.592
bonds (distance) P-C4' energy: -18.888
flat angles C4'-P-C4' energy: -20.497
flat angles P-C4'-P energy: -12.054
tors. eta vs tors. theta energy: -4.779
Dist. restrs. and SS energy: -28.800 (S_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: 32
Temperature: 0.900000
Total energy: -403.325169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.325169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.925169 (E_RNA)
where:
Base-Base interactions energy: -236.902
where: short stacking energy: -97.041
Base-Backbone interact. energy: -0.389
local terms energy: -115.634156
where:
bonds (distance) C4'-P energy: -21.150
bonds (distance) P-C4' energy: -22.118
flat angles C4'-P-C4' energy: -24.104
flat angles P-C4'-P energy: -17.790
tors. eta vs tors. theta energy: -30.472
Dist. restrs. and SS energy: -50.400 (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: 32
Temperature: 0.950000
Total energy: -382.293274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.293274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.893274 (E_RNA)
where:
Base-Base interactions energy: -220.948
where: short stacking energy: -89.117
Base-Backbone interact. energy: -1.664
local terms energy: -109.281444
where:
bonds (distance) C4'-P energy: -22.566
bonds (distance) P-C4' energy: -23.390
flat angles C4'-P-C4' energy: -24.159
flat angles P-C4'-P energy: -14.695
tors. eta vs tors. theta energy: -24.471
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -331.044390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.044390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.044390 (E_RNA)
where:
Base-Base interactions energy: -175.801
where: short stacking energy: -86.667
Base-Backbone interact. energy: -0.607
local terms energy: -118.636779
where:
bonds (distance) C4'-P energy: -24.283
bonds (distance) P-C4' energy: -22.538
flat angles C4'-P-C4' energy: -25.981
flat angles P-C4'-P energy: -19.835
tors. eta vs tors. theta energy: -26.000
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -346.469640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.469640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.669640 (E_RNA)
where:
Base-Base interactions energy: -213.763
where: short stacking energy: -95.176
Base-Backbone interact. energy: -0.504
local terms energy: -103.403015
where:
bonds (distance) C4'-P energy: -15.383
bonds (distance) P-C4' energy: -23.114
flat angles C4'-P-C4' energy: -22.150
flat angles P-C4'-P energy: -15.842
tors. eta vs tors. theta energy: -26.914
Dist. restrs. and SS energy: -28.800 (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: 32
Temperature: 1.100000
Total energy: -315.840277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.840277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.840277 (E_RNA)
where:
Base-Base interactions energy: -184.043
where: short stacking energy: -73.523
Base-Backbone interact. energy: -0.437
local terms energy: -95.359563
where:
bonds (distance) C4'-P energy: -20.185
bonds (distance) P-C4' energy: -22.712
flat angles C4'-P-C4' energy: -16.072
flat angles P-C4'-P energy: -16.592
tors. eta vs tors. theta energy: -19.798
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -304.655751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.655751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.455751 (E_RNA)
where:
Base-Base interactions energy: -184.916
where: short stacking energy: -81.383
Base-Backbone interact. energy: -0.383
local terms energy: -85.156288
where:
bonds (distance) C4'-P energy: -17.105
bonds (distance) P-C4' energy: -21.007
flat angles C4'-P-C4' energy: -17.332
flat angles P-C4'-P energy: -13.658
tors. eta vs tors. theta energy: -16.053
Dist. restrs. and SS energy: -34.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -306.103868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.103868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.103868 (E_RNA)
where:
Base-Base interactions energy: -168.975
where: short stacking energy: -90.462
Base-Backbone interact. energy: -0.725
local terms energy: -100.403657
where:
bonds (distance) C4'-P energy: -20.394
bonds (distance) P-C4' energy: -21.010
flat angles C4'-P-C4' energy: -23.548
flat angles P-C4'-P energy: -14.870
tors. eta vs tors. theta energy: -20.581
Dist. restrs. and SS energy: -36.000 (S_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: 32
Temperature: 1.250000
Total energy: -286.359230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.359230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.359230 (E_RNA)
where:
Base-Base interactions energy: -168.600
where: short stacking energy: -81.546
Base-Backbone interact. energy: -0.291
local terms energy: -81.468035
where:
bonds (distance) C4'-P energy: -18.587
bonds (distance) P-C4' energy: -12.315
flat angles C4'-P-C4' energy: -18.441
flat angles P-C4'-P energy: -15.186
tors. eta vs tors. theta energy: -16.939
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. 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: -269.889173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.889173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.889173 (E_RNA)
where:
Base-Base interactions energy: -147.084
where: short stacking energy: -64.577
Base-Backbone interact. energy: -0.357
local terms energy: -86.447639
where:
bonds (distance) C4'-P energy: -21.213
bonds (distance) P-C4' energy: -25.340
flat angles C4'-P-C4' energy: -17.645
flat angles P-C4'-P energy: -4.832
tors. eta vs tors. theta energy: -17.418
Dist. restrs. and SS energy: -36.000 (S_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: -200.774905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.774905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.974905 (E_RNA)
where:
Base-Base interactions energy: -109.627
where: short stacking energy: -53.561
Base-Backbone interact. energy: -0.255
local terms energy: -62.093240
where:
bonds (distance) C4'-P energy: -15.308
bonds (distance) P-C4' energy: -22.322
flat angles C4'-P-C4' energy: -9.628
flat angles P-C4'-P energy: -8.488
tors. eta vs tors. theta energy: -6.347
Dist. restrs. and SS energy: -28.800 (S_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: 33
Temperature: 0.900000
Total energy: -410.516750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.516750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.116750 (E_RNA)
where:
Base-Base interactions energy: -252.879
where: short stacking energy: -97.797
Base-Backbone interact. energy: -0.321
local terms energy: -106.916652
where:
bonds (distance) C4'-P energy: -21.456
bonds (distance) P-C4' energy: -21.422
flat angles C4'-P-C4' energy: -20.638
flat angles P-C4'-P energy: -12.769
tors. eta vs tors. theta energy: -30.632
Dist. restrs. and SS energy: -50.400 (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: 33
Temperature: 0.950000
Total energy: -386.659256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.659256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.659256 (E_RNA)
where:
Base-Base interactions energy: -236.145
where: short stacking energy: -106.939
Base-Backbone interact. energy: -0.291
local terms energy: -105.223529
where:
bonds (distance) C4'-P energy: -22.255
bonds (distance) P-C4' energy: -20.005
flat angles C4'-P-C4' energy: -22.681
flat angles P-C4'-P energy: -17.831
tors. eta vs tors. theta energy: -22.451
Dist. restrs. and SS energy: -45.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -337.574219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.574219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.574219 (E_RNA)
where:
Base-Base interactions energy: -191.157
where: short stacking energy: -96.334
Base-Backbone interact. energy: -0.008
local terms energy: -110.409008
where:
bonds (distance) C4'-P energy: -22.876
bonds (distance) P-C4' energy: -22.524
flat angles C4'-P-C4' energy: -22.534
flat angles P-C4'-P energy: -16.201
tors. eta vs tors. theta energy: -26.274
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -348.073684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.073684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.073684 (E_RNA)
where:
Base-Base interactions energy: -215.017
where: short stacking energy: -92.323
Base-Backbone interact. energy: -0.434
local terms energy: -105.622580
where:
bonds (distance) C4'-P energy: -20.377
bonds (distance) P-C4' energy: -23.267
flat angles C4'-P-C4' energy: -22.968
flat angles P-C4'-P energy: -16.042
tors. eta vs tors. theta energy: -22.968
Dist. restrs. and SS energy: -27.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -315.825616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.825616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.825616 (E_RNA)
where:
Base-Base interactions energy: -178.376
where: short stacking energy: -90.248
Base-Backbone interact. energy: -0.127
local terms energy: -101.322568
where:
bonds (distance) C4'-P energy: -26.019
bonds (distance) P-C4' energy: -19.797
flat angles C4'-P-C4' energy: -21.038
flat angles P-C4'-P energy: -13.523
tors. eta vs tors. theta energy: -20.945
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -305.819246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.819246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.819246 (E_RNA)
where:
Base-Base interactions energy: -170.936
where: short stacking energy: -81.130
Base-Backbone interact. energy: 0.291
local terms energy: -99.174711
where:
bonds (distance) C4'-P energy: -22.313
bonds (distance) P-C4' energy: -20.889
flat angles C4'-P-C4' energy: -23.779
flat angles P-C4'-P energy: -9.950
tors. eta vs tors. theta energy: -22.244
Dist. restrs. and SS energy: -36.000 (S_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: 33
Temperature: 1.200000
Total energy: -277.029448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.029448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.829448 (E_RNA)
where:
Base-Base interactions energy: -145.720
where: short stacking energy: -75.043
Base-Backbone interact. energy: 0.677
local terms energy: -97.786472
where:
bonds (distance) C4'-P energy: -17.780
bonds (distance) P-C4' energy: -21.418
flat angles C4'-P-C4' energy: -21.496
flat angles P-C4'-P energy: -17.517
tors. eta vs tors. theta energy: -19.575
Dist. restrs. and SS energy: -34.200 (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: 2
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -296.079130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.079130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.879130 (E_RNA)
where:
Base-Base interactions energy: -176.257
where: short stacking energy: -75.187
Base-Backbone interact. energy: -0.109
local terms energy: -85.513543
where:
bonds (distance) C4'-P energy: -17.921
bonds (distance) P-C4' energy: -23.251
flat angles C4'-P-C4' energy: -20.226
flat angles P-C4'-P energy: -14.593
tors. eta vs tors. theta energy: -9.522
Dist. restrs. and SS energy: -34.200 (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: 33
Temperature: 1.300000
Total energy: -255.224944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.224944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.624944 (E_RNA)
where:
Base-Base interactions energy: -139.638
where: short stacking energy: -66.661
Base-Backbone interact. energy: -0.094
local terms energy: -84.892939
where:
bonds (distance) C4'-P energy: -19.762
bonds (distance) P-C4' energy: -18.015
flat angles C4'-P-C4' energy: -20.828
flat angles P-C4'-P energy: -14.756
tors. eta vs tors. theta energy: -11.531
Dist. restrs. and SS energy: -30.600 (S_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: -222.519250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.519250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.919250 (E_RNA)
where:
Base-Base interactions energy: -109.254
where: short stacking energy: -51.831
Base-Backbone interact. energy: 1.969
local terms energy: -84.633838
where:
bonds (distance) C4'-P energy: -19.677
bonds (distance) P-C4' energy: -23.523
flat angles C4'-P-C4' energy: -17.756
flat angles P-C4'-P energy: -15.555
tors. eta vs tors. theta energy: -8.123
Dist. restrs. and SS energy: -30.600 (S_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: -393.294765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.294765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.894765 (E_RNA)
where:
Base-Base interactions energy: -234.699
where: short stacking energy: -100.645
Base-Backbone interact. energy: -0.320
local terms energy: -107.875098
where:
bonds (distance) C4'-P energy: -22.823
bonds (distance) P-C4' energy: -22.748
flat angles C4'-P-C4' energy: -21.020
flat angles P-C4'-P energy: -16.758
tors. eta vs tors. theta energy: -24.526
Dist. restrs. and SS energy: -50.400 (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: 34
Temperature: 0.950000
Total energy: -388.834606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.834606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.434606 (E_RNA)
where:
Base-Base interactions energy: -227.237
where: short stacking energy: -103.510
Base-Backbone interact. energy: 0.478
local terms energy: -111.675486
where:
bonds (distance) C4'-P energy: -21.903
bonds (distance) P-C4' energy: -26.322
flat angles C4'-P-C4' energy: -22.606
flat angles P-C4'-P energy: -16.459
tors. eta vs tors. theta energy: -24.385
Dist. restrs. and SS energy: -50.400 (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: 34
Temperature: 1.000000
Total energy: -355.613184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.613184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.613184 (E_RNA)
where:
Base-Base interactions energy: -213.505
where: short stacking energy: -85.838
Base-Backbone interact. energy: -0.563
local terms energy: -114.545504
where:
bonds (distance) C4'-P energy: -24.686
bonds (distance) P-C4' energy: -25.659
flat angles C4'-P-C4' energy: -24.516
flat angles P-C4'-P energy: -14.716
tors. eta vs tors. theta energy: -24.969
Dist. restrs. and SS energy: -27.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -313.185875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.185875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.185875 (E_RNA)
where:
Base-Base interactions energy: -171.285
where: short stacking energy: -85.184
Base-Backbone interact. energy: -0.729
local terms energy: -105.172568
where:
bonds (distance) C4'-P energy: -21.712
bonds (distance) P-C4' energy: -25.219
flat angles C4'-P-C4' energy: -24.218
flat angles P-C4'-P energy: -13.019
tors. eta vs tors. theta energy: -21.006
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -292.749525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.749525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.749525 (E_RNA)
where:
Base-Base interactions energy: -166.129
where: short stacking energy: -73.899
Base-Backbone interact. energy: 1.098
local terms energy: -91.718176
where:
bonds (distance) C4'-P energy: -18.341
bonds (distance) P-C4' energy: -23.290
flat angles C4'-P-C4' energy: -16.127
flat angles P-C4'-P energy: -17.854
tors. eta vs tors. theta energy: -16.105
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -285.350632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.350632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.350632 (E_RNA)
where:
Base-Base interactions energy: -155.786
where: short stacking energy: -68.454
Base-Backbone interact. energy: -0.074
local terms energy: -93.491587
where:
bonds (distance) C4'-P energy: -21.002
bonds (distance) P-C4' energy: -21.711
flat angles C4'-P-C4' energy: -23.343
flat angles P-C4'-P energy: -12.416
tors. eta vs tors. theta energy: -15.020
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -291.936994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.936994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.936994 (E_RNA)
where:
Base-Base interactions energy: -156.994
where: short stacking energy: -80.558
Base-Backbone interact. energy: -0.035
local terms energy: -98.907682
where:
bonds (distance) C4'-P energy: -19.480
bonds (distance) P-C4' energy: -19.259
flat angles C4'-P-C4' energy: -24.353
flat angles P-C4'-P energy: -14.424
tors. eta vs tors. theta energy: -21.392
Dist. restrs. and SS energy: -36.000 (S_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: 34
Temperature: 1.250000
Total energy: -280.054293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.054293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.854293 (E_RNA)
where:
Base-Base interactions energy: -162.614
where: short stacking energy: -79.497
Base-Backbone interact. energy: -0.785
local terms energy: -82.455211
where:
bonds (distance) C4'-P energy: -19.758
bonds (distance) P-C4' energy: -13.401
flat angles C4'-P-C4' energy: -16.752
flat angles P-C4'-P energy: -11.667
tors. eta vs tors. theta energy: -20.877
Dist. restrs. and SS energy: -34.200 (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: 34
Temperature: 1.300000
Total energy: -280.405346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.405346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.405346 (E_RNA)
where:
Base-Base interactions energy: -157.361
where: short stacking energy: -63.257
Base-Backbone interact. energy: -0.251
local terms energy: -86.793912
where:
bonds (distance) C4'-P energy: -13.760
bonds (distance) P-C4' energy: -22.930
flat angles C4'-P-C4' energy: -23.037
flat angles P-C4'-P energy: -11.544
tors. eta vs tors. theta energy: -15.523
Dist. restrs. and SS energy: -36.000 (S_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: -202.201243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.201243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.601243 (E_RNA)
where:
Base-Base interactions energy: -109.955
where: short stacking energy: -60.090
Base-Backbone interact. energy: 0.908
local terms energy: -62.554596
where:
bonds (distance) C4'-P energy: -14.633
bonds (distance) P-C4' energy: -16.322
flat angles C4'-P-C4' energy: -17.567
flat angles P-C4'-P energy: -9.005
tors. eta vs tors. theta energy: -5.028
Dist. restrs. and SS energy: -30.600 (S_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: -396.907496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.907496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.507496 (E_RNA)
where:
Base-Base interactions energy: -234.283
where: short stacking energy: -88.191
Base-Backbone interact. energy: -1.181
local terms energy: -111.042907
where:
bonds (distance) C4'-P energy: -24.702
bonds (distance) P-C4' energy: -23.446
flat angles C4'-P-C4' energy: -17.537
flat angles P-C4'-P energy: -20.384
tors. eta vs tors. theta energy: -24.974
Dist. restrs. and SS energy: -50.400 (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: 35
Temperature: 0.950000
Total energy: -381.871270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.871270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.471270 (E_RNA)
where:
Base-Base interactions energy: -217.352
where: short stacking energy: -102.416
Base-Backbone interact. energy: -0.148
local terms energy: -113.970893
where:
bonds (distance) C4'-P energy: -21.534
bonds (distance) P-C4' energy: -23.384
flat angles C4'-P-C4' energy: -27.302
flat angles P-C4'-P energy: -16.884
tors. eta vs tors. theta energy: -24.868
Dist. restrs. and SS energy: -50.400 (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: 35
Temperature: 1.000000
Total energy: -343.088402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.088402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.288402 (E_RNA)
where:
Base-Base interactions energy: -210.572
where: short stacking energy: -77.179
Base-Backbone interact. energy: -0.549
local terms energy: -103.167728
where:
bonds (distance) C4'-P energy: -23.642
bonds (distance) P-C4' energy: -20.129
flat angles C4'-P-C4' energy: -25.341
flat angles P-C4'-P energy: -15.873
tors. eta vs tors. theta energy: -18.183
Dist. restrs. and SS energy: -28.800 (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: 1
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -324.959845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.959845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.759845 (E_RNA)
where:
Base-Base interactions energy: -180.104
where: short stacking energy: -81.127
Base-Backbone interact. energy: -0.118
local terms energy: -110.537990
where:
bonds (distance) C4'-P energy: -25.551
bonds (distance) P-C4' energy: -22.014
flat angles C4'-P-C4' energy: -20.588
flat angles P-C4'-P energy: -20.356
tors. eta vs tors. theta energy: -22.030
Dist. restrs. and SS energy: -34.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -311.949755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.949755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.749755 (E_RNA)
where:
Base-Base interactions energy: -173.569
where: short stacking energy: -89.041
Base-Backbone interact. energy: -0.017
local terms energy: -104.163664
where:
bonds (distance) C4'-P energy: -16.727
bonds (distance) P-C4' energy: -20.225
flat angles C4'-P-C4' energy: -22.285
flat angles P-C4'-P energy: -18.040
tors. eta vs tors. theta energy: -26.887
Dist. restrs. and SS energy: -34.200 (S_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: 35
Temperature: 1.150000
Total energy: -312.233141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.233141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.233141 (E_RNA)
where:
Base-Base interactions energy: -177.379
where: short stacking energy: -92.233
Base-Backbone interact. energy: -0.716
local terms energy: -98.138374
where:
bonds (distance) C4'-P energy: -19.076
bonds (distance) P-C4' energy: -17.507
flat angles C4'-P-C4' energy: -19.298
flat angles P-C4'-P energy: -15.819
tors. eta vs tors. theta energy: -26.438
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -299.571081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.571081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.571081 (E_RNA)
where:
Base-Base interactions energy: -165.649
where: short stacking energy: -74.428
Base-Backbone interact. energy: -0.471
local terms energy: -97.451363
where:
bonds (distance) C4'-P energy: -20.362
bonds (distance) P-C4' energy: -23.737
flat angles C4'-P-C4' energy: -23.765
flat angles P-C4'-P energy: -11.141
tors. eta vs tors. theta energy: -18.447
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -267.733347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.733347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.733347 (E_RNA)
where:
Base-Base interactions energy: -144.653
where: short stacking energy: -58.970
Base-Backbone interact. energy: 0.531
local terms energy: -87.610523
where:
bonds (distance) C4'-P energy: -18.058
bonds (distance) P-C4' energy: -23.788
flat angles C4'-P-C4' energy: -20.447
flat angles P-C4'-P energy: -10.756
tors. eta vs tors. theta energy: -14.561
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -255.886794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.886794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.886794 (E_RNA)
where:
Base-Base interactions energy: -135.224
where: short stacking energy: -60.440
Base-Backbone interact. energy: -0.028
local terms energy: -84.635515
where:
bonds (distance) C4'-P energy: -21.952
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -18.271
flat angles P-C4'-P energy: -13.730
tors. eta vs tors. theta energy: -14.494
Dist. restrs. and SS energy: -36.000 (S_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: -214.354302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.354302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.354302 (E_RNA)
where:
Base-Base interactions energy: -106.921
where: short stacking energy: -49.950
Base-Backbone interact. energy: 0.325
local terms energy: -71.759149
where:
bonds (distance) C4'-P energy: -14.841
bonds (distance) P-C4' energy: -18.977
flat angles C4'-P-C4' energy: -21.937
flat angles P-C4'-P energy: -16.983
tors. eta vs tors. theta energy: 0.979
Dist. restrs. and SS energy: -36.000 (S_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: 36
Temperature: 0.900000
Total energy: -413.162591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.162591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.762591 (E_RNA)
where:
Base-Base interactions energy: -251.831
where: short stacking energy: -95.559
Base-Backbone interact. energy: -0.599
local terms energy: -110.332343
where:
bonds (distance) C4'-P energy: -14.852
bonds (distance) P-C4' energy: -25.552
flat angles C4'-P-C4' energy: -24.727
flat angles P-C4'-P energy: -16.648
tors. eta vs tors. theta energy: -28.553
Dist. restrs. and SS energy: -50.400 (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: 36
Temperature: 0.950000
Total energy: -384.612456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.612456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.212456 (E_RNA)
where:
Base-Base interactions energy: -226.184
where: short stacking energy: -95.749
Base-Backbone interact. energy: 0.059
local terms energy: -108.087423
where:
bonds (distance) C4'-P energy: -26.040
bonds (distance) P-C4' energy: -19.882
flat angles C4'-P-C4' energy: -21.706
flat angles P-C4'-P energy: -15.018
tors. eta vs tors. theta energy: -25.441
Dist. restrs. and SS energy: -50.400 (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: 36
Temperature: 1.000000
Total energy: -349.880338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.880338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.880338 (E_RNA)
where:
Base-Base interactions energy: -218.794
where: short stacking energy: -86.909
Base-Backbone interact. energy: -1.145
local terms energy: -102.941302
where:
bonds (distance) C4'-P energy: -24.205
bonds (distance) P-C4' energy: -17.637
flat angles C4'-P-C4' energy: -21.644
flat angles P-C4'-P energy: -17.442
tors. eta vs tors. theta energy: -22.013
Dist. restrs. and SS energy: -27.000 (S_DIST_RNA)
chem. 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: -319.652185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.652185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.652185 (E_RNA)
where:
Base-Base interactions energy: -183.893
where: short stacking energy: -86.140
Base-Backbone interact. energy: -1.087
local terms energy: -98.671746
where:
bonds (distance) C4'-P energy: -17.099
bonds (distance) P-C4' energy: -18.936
flat angles C4'-P-C4' energy: -25.335
flat angles P-C4'-P energy: -15.736
tors. eta vs tors. theta energy: -21.566
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -302.159741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.159741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.159741 (E_RNA)
where:
Base-Base interactions energy: -160.808
where: short stacking energy: -65.507
Base-Backbone interact. energy: 0.135
local terms energy: -105.486579
where:
bonds (distance) C4'-P energy: -23.072
bonds (distance) P-C4' energy: -23.980
flat angles C4'-P-C4' energy: -19.816
flat angles P-C4'-P energy: -17.321
tors. eta vs tors. theta energy: -21.298
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -304.295922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.295922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.295922 (E_RNA)
where:
Base-Base interactions energy: -172.501
where: short stacking energy: -67.889
Base-Backbone interact. energy: 0.761
local terms energy: -96.556275
where:
bonds (distance) C4'-P energy: -19.230
bonds (distance) P-C4' energy: -24.039
flat angles C4'-P-C4' energy: -22.654
flat angles P-C4'-P energy: -13.959
tors. eta vs tors. theta energy: -16.676
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -259.036812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.036812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.836812 (E_RNA)
where:
Base-Base interactions energy: -138.656
where: short stacking energy: -63.658
Base-Backbone interact. energy: -0.568
local terms energy: -85.612595
where:
bonds (distance) C4'-P energy: -20.523
bonds (distance) P-C4' energy: -21.253
flat angles C4'-P-C4' energy: -20.786
flat angles P-C4'-P energy: -9.766
tors. eta vs tors. theta energy: -13.284
Dist. restrs. and SS energy: -34.200 (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: 2
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -280.831596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.831596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.631596 (E_RNA)
where:
Base-Base interactions energy: -149.889
where: short stacking energy: -61.835
Base-Backbone interact. energy: -0.005
local terms energy: -96.737420
where:
bonds (distance) C4'-P energy: -19.911
bonds (distance) P-C4' energy: -21.090
flat angles C4'-P-C4' energy: -20.508
flat angles P-C4'-P energy: -15.643
tors. eta vs tors. theta energy: -19.585
Dist. restrs. and SS energy: -34.200 (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: 9
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -262.697745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.697745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.697745 (E_RNA)
where:
Base-Base interactions energy: -154.183
where: short stacking energy: -51.777
Base-Backbone interact. energy: -0.276
local terms energy: -72.239034
where:
bonds (distance) C4'-P energy: -13.021
bonds (distance) P-C4' energy: -20.797
flat angles C4'-P-C4' energy: -21.390
flat angles P-C4'-P energy: -9.860
tors. eta vs tors. theta energy: -7.172
Dist. restrs. and SS energy: -36.000 (S_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: -206.029699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.029699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.229699 (E_RNA)
where:
Base-Base interactions energy: -111.588
where: short stacking energy: -54.830
Base-Backbone interact. energy: -0.822
local terms energy: -64.819822
where:
bonds (distance) C4'-P energy: -21.113
bonds (distance) P-C4' energy: -7.261
flat angles C4'-P-C4' energy: -21.768
flat angles P-C4'-P energy: -11.791
tors. eta vs tors. theta energy: -2.887
Dist. restrs. and SS energy: -28.800 (S_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: 37
Temperature: 0.900000
Total energy: -412.208878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.208878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.808878 (E_RNA)
where:
Base-Base interactions energy: -247.608
where: short stacking energy: -95.438
Base-Backbone interact. energy: -0.843
local terms energy: -113.358243
where:
bonds (distance) C4'-P energy: -24.338
bonds (distance) P-C4' energy: -26.103
flat angles C4'-P-C4' energy: -22.241
flat angles P-C4'-P energy: -14.846
tors. eta vs tors. theta energy: -25.830
Dist. restrs. and SS energy: -50.400 (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: 4
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -365.628851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.628851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.628851 (E_RNA)
where:
Base-Base interactions energy: -234.536
where: short stacking energy: -95.141
Base-Backbone interact. energy: -0.346
local terms energy: -103.746691
where:
bonds (distance) C4'-P energy: -25.695
bonds (distance) P-C4' energy: -20.661
flat angles C4'-P-C4' energy: -17.566
flat angles P-C4'-P energy: -17.194
tors. eta vs tors. theta energy: -22.632
Dist. restrs. and SS energy: -27.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -382.177318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.177318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.777318 (E_RNA)
where:
Base-Base interactions energy: -223.601
where: short stacking energy: -95.924
Base-Backbone interact. energy: -1.421
local terms energy: -106.754747
where:
bonds (distance) C4'-P energy: -22.438
bonds (distance) P-C4' energy: -21.708
flat angles C4'-P-C4' energy: -25.875
flat angles P-C4'-P energy: -16.136
tors. eta vs tors. theta energy: -20.597
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -303.941124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.941124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.941124 (E_RNA)
where:
Base-Base interactions energy: -168.230
where: short stacking energy: -72.776
Base-Backbone interact. energy: -0.532
local terms energy: -99.178362
where:
bonds (distance) C4'-P energy: -23.199
bonds (distance) P-C4' energy: -20.510
flat angles C4'-P-C4' energy: -23.465
flat angles P-C4'-P energy: -11.555
tors. eta vs tors. theta energy: -20.449
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -304.381798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.381798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.781798 (E_RNA)
where:
Base-Base interactions energy: -180.617
where: short stacking energy: -71.299
Base-Backbone interact. energy: -0.133
local terms energy: -93.031182
where:
bonds (distance) C4'-P energy: -17.419
bonds (distance) P-C4' energy: -18.499
flat angles C4'-P-C4' energy: -24.284
flat angles P-C4'-P energy: -17.270
tors. eta vs tors. theta energy: -15.559
Dist. restrs. and SS energy: -30.600 (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: 5
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -308.217946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.217946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.217946 (E_RNA)
where:
Base-Base interactions energy: -169.420
where: short stacking energy: -78.087
Base-Backbone interact. energy: 0.304
local terms energy: -103.102500
where:
bonds (distance) C4'-P energy: -18.989
bonds (distance) P-C4' energy: -25.290
flat angles C4'-P-C4' energy: -19.737
flat angles P-C4'-P energy: -18.847
tors. eta vs tors. theta energy: -20.240
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -285.023001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.023001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.023001 (E_RNA)
where:
Base-Base interactions energy: -154.888
where: short stacking energy: -79.346
Base-Backbone interact. energy: -0.181
local terms energy: -93.953710
where:
bonds (distance) C4'-P energy: -17.077
bonds (distance) P-C4' energy: -25.548
flat angles C4'-P-C4' energy: -22.469
flat angles P-C4'-P energy: -11.487
tors. eta vs tors. theta energy: -17.374
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -273.956221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.956221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.956221 (E_RNA)
where:
Base-Base interactions energy: -154.952
where: short stacking energy: -73.447
Base-Backbone interact. energy: -0.058
local terms energy: -82.946652
where:
bonds (distance) C4'-P energy: -18.376
bonds (distance) P-C4' energy: -21.369
flat angles C4'-P-C4' energy: -22.012
flat angles P-C4'-P energy: -7.892
tors. eta vs tors. theta energy: -13.298
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -264.337754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.337754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.137754 (E_RNA)
where:
Base-Base interactions energy: -149.921
where: short stacking energy: -67.729
Base-Backbone interact. energy: -0.173
local terms energy: -80.044598
where:
bonds (distance) C4'-P energy: -21.337
bonds (distance) P-C4' energy: -15.152
flat angles C4'-P-C4' energy: -20.464
flat angles P-C4'-P energy: -8.929
tors. eta vs tors. theta energy: -14.163
Dist. restrs. and SS energy: -34.200 (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: 37
Temperature: 1.350000
Total energy: -200.640016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.640016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.840016 (E_RNA)
where:
Base-Base interactions energy: -102.350
where: short stacking energy: -50.905
Base-Backbone interact. energy: 0.211
local terms energy: -69.700795
where:
bonds (distance) C4'-P energy: -17.155
bonds (distance) P-C4' energy: -21.234
flat angles C4'-P-C4' energy: -17.505
flat angles P-C4'-P energy: -4.346
tors. eta vs tors. theta energy: -9.460
Dist. restrs. and SS energy: -28.800 (S_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: -402.265889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.265889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.865889 (E_RNA)
where:
Base-Base interactions energy: -237.983
where: short stacking energy: -102.336
Base-Backbone interact. energy: -0.723
local terms energy: -113.159037
where:
bonds (distance) C4'-P energy: -22.225
bonds (distance) P-C4' energy: -24.031
flat angles C4'-P-C4' energy: -23.791
flat angles P-C4'-P energy: -15.762
tors. eta vs tors. theta energy: -27.351
Dist. restrs. and SS energy: -50.400 (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: 4
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -350.574166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.574166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.774166 (E_RNA)
where:
Base-Base interactions energy: -220.503
where: short stacking energy: -89.489
Base-Backbone interact. energy: -1.314
local terms energy: -99.956883
where:
bonds (distance) C4'-P energy: -23.531
bonds (distance) P-C4' energy: -19.962
flat angles C4'-P-C4' energy: -20.118
flat angles P-C4'-P energy: -13.551
tors. eta vs tors. theta energy: -22.794
Dist. restrs. and SS energy: -28.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -380.417226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.417226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.017226 (E_RNA)
where:
Base-Base interactions energy: -232.392
where: short stacking energy: -99.125
Base-Backbone interact. energy: -0.522
local terms energy: -97.103304
where:
bonds (distance) C4'-P energy: -18.963
bonds (distance) P-C4' energy: -21.699
flat angles C4'-P-C4' energy: -24.844
flat angles P-C4'-P energy: -11.114
tors. eta vs tors. theta energy: -20.483
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -318.055337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.055337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.055337 (E_RNA)
where:
Base-Base interactions energy: -177.987
where: short stacking energy: -72.074
Base-Backbone interact. energy: -0.506
local terms energy: -103.562789
where:
bonds (distance) C4'-P energy: -21.979
bonds (distance) P-C4' energy: -25.952
flat angles C4'-P-C4' energy: -24.946
flat angles P-C4'-P energy: -14.699
tors. eta vs tors. theta energy: -15.986
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -314.628036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.628036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.628036 (E_RNA)
where:
Base-Base interactions energy: -180.473
where: short stacking energy: -85.631
Base-Backbone interact. energy: 2.328
local terms energy: -100.483263
where:
bonds (distance) C4'-P energy: -23.167
bonds (distance) P-C4' energy: -17.134
flat angles C4'-P-C4' energy: -23.471
flat angles P-C4'-P energy: -13.723
tors. eta vs tors. theta energy: -22.988
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -329.145074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.145074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.745074 (E_RNA)
where:
Base-Base interactions energy: -184.516
where: short stacking energy: -68.674
Base-Backbone interact. energy: -0.638
local terms energy: -93.591381
where:
bonds (distance) C4'-P energy: -20.359
bonds (distance) P-C4' energy: -22.487
flat angles C4'-P-C4' energy: -23.654
flat angles P-C4'-P energy: -12.754
tors. eta vs tors. theta energy: -14.337
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -275.452929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.452929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.452929 (E_RNA)
where:
Base-Base interactions energy: -158.207
where: short stacking energy: -70.071
Base-Backbone interact. energy: -1.136
local terms energy: -80.110437
where:
bonds (distance) C4'-P energy: -14.335
bonds (distance) P-C4' energy: -19.621
flat angles C4'-P-C4' energy: -21.784
flat angles P-C4'-P energy: -13.879
tors. eta vs tors. theta energy: -10.491
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. 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: -266.965332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.965332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.565332 (E_RNA)
where:
Base-Base interactions energy: -159.024
where: short stacking energy: -80.857
Base-Backbone interact. energy: 0.223
local terms energy: -75.764709
where:
bonds (distance) C4'-P energy: -14.589
bonds (distance) P-C4' energy: -15.979
flat angles C4'-P-C4' energy: -16.024
flat angles P-C4'-P energy: -15.420
tors. eta vs tors. theta energy: -13.753
Dist. restrs. and SS energy: -32.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -252.877407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.877407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.877407 (E_RNA)
where:
Base-Base interactions energy: -130.529
where: short stacking energy: -60.598
Base-Backbone interact. energy: -0.894
local terms energy: -85.454631
where:
bonds (distance) C4'-P energy: -22.230
bonds (distance) P-C4' energy: -19.331
flat angles C4'-P-C4' energy: -16.749
flat angles P-C4'-P energy: -13.971
tors. eta vs tors. theta energy: -13.173
Dist. restrs. and SS energy: -36.000 (S_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: -196.334535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.334535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.534535 (E_RNA)
where:
Base-Base interactions energy: -96.431
where: short stacking energy: -40.517
Base-Backbone interact. energy: -0.703
local terms energy: -70.400654
where:
bonds (distance) C4'-P energy: -22.674
bonds (distance) P-C4' energy: -16.329
flat angles C4'-P-C4' energy: -14.302
flat angles P-C4'-P energy: -12.531
tors. eta vs tors. theta energy: -4.565
Dist. restrs. and SS energy: -28.800 (S_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: -408.520756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.520756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.120756 (E_RNA)
where:
Base-Base interactions energy: -241.183
where: short stacking energy: -98.863
Base-Backbone interact. energy: -1.056
local terms energy: -115.881840
where:
bonds (distance) C4'-P energy: -24.776
bonds (distance) P-C4' energy: -21.624
flat angles C4'-P-C4' energy: -23.358
flat angles P-C4'-P energy: -17.442
tors. eta vs tors. theta energy: -28.681
Dist. restrs. and SS energy: -50.400 (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: 39
Temperature: 0.950000
Total energy: -387.456623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.456623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.056623 (E_RNA)
where:
Base-Base interactions energy: -231.050
where: short stacking energy: -92.661
Base-Backbone interact. energy: -0.232
local terms energy: -105.774412
where:
bonds (distance) C4'-P energy: -24.269
bonds (distance) P-C4' energy: -23.481
flat angles C4'-P-C4' energy: -20.283
flat angles P-C4'-P energy: -16.520
tors. eta vs tors. theta energy: -21.222
Dist. restrs. and SS energy: -50.400 (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: 39
Temperature: 1.000000
Total energy: -347.919075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.919075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.119075 (E_RNA)
where:
Base-Base interactions energy: -217.422
where: short stacking energy: -90.599
Base-Backbone interact. energy: -0.509
local terms energy: -101.188713
where:
bonds (distance) C4'-P energy: -20.818
bonds (distance) P-C4' energy: -20.285
flat angles C4'-P-C4' energy: -21.894
flat angles P-C4'-P energy: -11.930
tors. eta vs tors. theta energy: -26.262
Dist. restrs. and SS energy: -28.800 (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: 5
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -331.762988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.762988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.762988 (E_RNA)
where:
Base-Base interactions energy: -190.495
where: short stacking energy: -89.068
Base-Backbone interact. energy: -0.047
local terms energy: -105.220727
where:
bonds (distance) C4'-P energy: -20.619
bonds (distance) P-C4' energy: -21.386
flat angles C4'-P-C4' energy: -23.412
flat angles P-C4'-P energy: -14.059
tors. eta vs tors. theta energy: -25.744
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -316.916349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.916349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.916349 (E_RNA)
where:
Base-Base interactions energy: -183.766
where: short stacking energy: -75.545
Base-Backbone interact. energy: 1.657
local terms energy: -98.807847
where:
bonds (distance) C4'-P energy: -18.161
bonds (distance) P-C4' energy: -24.108
flat angles C4'-P-C4' energy: -23.326
flat angles P-C4'-P energy: -13.505
tors. eta vs tors. theta energy: -19.708
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -326.431632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.431632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.831632 (E_RNA)
where:
Base-Base interactions energy: -183.401
where: short stacking energy: -78.051
Base-Backbone interact. energy: -0.602
local terms energy: -93.828321
where:
bonds (distance) C4'-P energy: -20.624
bonds (distance) P-C4' energy: -19.575
flat angles C4'-P-C4' energy: -24.148
flat angles P-C4'-P energy: -14.829
tors. eta vs tors. theta energy: -14.652
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -259.780136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.780136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.780136 (E_RNA)
where:
Base-Base interactions energy: -137.668
where: short stacking energy: -71.570
Base-Backbone interact. energy: 0.132
local terms energy: -86.243578
where:
bonds (distance) C4'-P energy: -21.965
bonds (distance) P-C4' energy: -23.857
flat angles C4'-P-C4' energy: -11.754
flat angles P-C4'-P energy: -13.830
tors. eta vs tors. theta energy: -14.839
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -263.371198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.371198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.171198 (E_RNA)
where:
Base-Base interactions energy: -144.059
where: short stacking energy: -71.054
Base-Backbone interact. energy: -0.187
local terms energy: -84.924786
where:
bonds (distance) C4'-P energy: -19.559
bonds (distance) P-C4' energy: -19.681
flat angles C4'-P-C4' energy: -18.153
flat angles P-C4'-P energy: -16.692
tors. eta vs tors. theta energy: -10.840
Dist. restrs. and SS energy: -34.200 (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: 2
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -261.906750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.906750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.906750 (E_RNA)
where:
Base-Base interactions energy: -142.606
where: short stacking energy: -65.611
Base-Backbone interact. energy: -0.131
local terms energy: -83.169427
where:
bonds (distance) C4'-P energy: -20.722
bonds (distance) P-C4' energy: -23.133
flat angles C4'-P-C4' energy: -12.594
flat angles P-C4'-P energy: -11.966
tors. eta vs tors. theta energy: -14.754
Dist. restrs. and SS energy: -36.000 (S_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: -198.255146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.255146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.255146 (E_RNA)
where:
Base-Base interactions energy: -102.201
where: short stacking energy: -48.360
Base-Backbone interact. energy: 1.480
local terms energy: -70.534083
where:
bonds (distance) C4'-P energy: -20.231
bonds (distance) P-C4' energy: -18.697
flat angles C4'-P-C4' energy: -16.414
flat angles P-C4'-P energy: -12.472
tors. eta vs tors. theta energy: -2.719
Dist. restrs. and SS energy: -27.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -400.273226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.273226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.873226 (E_RNA)
where:
Base-Base interactions energy: -243.114
where: short stacking energy: -93.894
Base-Backbone interact. energy: -0.357
local terms energy: -106.402245
where:
bonds (distance) C4'-P energy: -21.026
bonds (distance) P-C4' energy: -23.032
flat angles C4'-P-C4' energy: -22.760
flat angles P-C4'-P energy: -17.345
tors. eta vs tors. theta energy: -22.240
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -387.403881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.403881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.003881 (E_RNA)
where:
Base-Base interactions energy: -233.692
where: short stacking energy: -85.946
Base-Backbone interact. energy: -0.734
local terms energy: -102.577661
where:
bonds (distance) C4'-P energy: -22.520
bonds (distance) P-C4' energy: -20.725
flat angles C4'-P-C4' energy: -20.566
flat angles P-C4'-P energy: -17.869
tors. eta vs tors. theta energy: -20.896
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -337.021545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.021545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.021545 (E_RNA)
where:
Base-Base interactions energy: -188.666
where: short stacking energy: -93.495
Base-Backbone interact. energy: -0.206
local terms energy: -112.149496
where:
bonds (distance) C4'-P energy: -20.619
bonds (distance) P-C4' energy: -22.685
flat angles C4'-P-C4' energy: -27.115
flat angles P-C4'-P energy: -18.178
tors. eta vs tors. theta energy: -23.552
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -342.869816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.869816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.069816 (E_RNA)
where:
Base-Base interactions energy: -215.188
where: short stacking energy: -98.774
Base-Backbone interact. energy: 0.461
local terms energy: -99.343160
where:
bonds (distance) C4'-P energy: -21.042
bonds (distance) P-C4' energy: -13.809
flat angles C4'-P-C4' energy: -25.357
flat angles P-C4'-P energy: -13.919
tors. eta vs tors. theta energy: -25.215
Dist. restrs. and SS energy: -28.800 (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: 6
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -302.491176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.491176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.291176 (E_RNA)
where:
Base-Base interactions energy: -174.153
where: short stacking energy: -79.096
Base-Backbone interact. energy: -0.019
local terms energy: -94.119207
where:
bonds (distance) C4'-P energy: -19.464
bonds (distance) P-C4' energy: -20.506
flat angles C4'-P-C4' energy: -21.788
flat angles P-C4'-P energy: -13.716
tors. eta vs tors. theta energy: -18.645
Dist. restrs. and SS energy: -34.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -289.670103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.670103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.670103 (E_RNA)
where:
Base-Base interactions energy: -166.767
where: short stacking energy: -72.809
Base-Backbone interact. energy: -0.414
local terms energy: -86.488938
where:
bonds (distance) C4'-P energy: -15.612
bonds (distance) P-C4' energy: -21.586
flat angles C4'-P-C4' energy: -23.152
flat angles P-C4'-P energy: -13.122
tors. eta vs tors. theta energy: -13.017
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -276.779151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.779151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.779151 (E_RNA)
where:
Base-Base interactions energy: -145.799
where: short stacking energy: -73.930
Base-Backbone interact. energy: -0.947
local terms energy: -94.032913
where:
bonds (distance) C4'-P energy: -17.377
bonds (distance) P-C4' energy: -22.233
flat angles C4'-P-C4' energy: -25.336
flat angles P-C4'-P energy: -10.644
tors. eta vs tors. theta energy: -18.443
Dist. restrs. and SS energy: -36.000 (S_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: 40
Temperature: 1.250000
Total energy: -252.465042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.465042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.865042 (E_RNA)
where:
Base-Base interactions energy: -129.282
where: short stacking energy: -67.863
Base-Backbone interact. energy: -0.859
local terms energy: -82.724256
where:
bonds (distance) C4'-P energy: -16.324
bonds (distance) P-C4' energy: -18.705
flat angles C4'-P-C4' energy: -16.669
flat angles P-C4'-P energy: -19.521
tors. eta vs tors. theta energy: -11.506
Dist. restrs. and SS energy: -39.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -262.746708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.746708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.746708 (E_RNA)
where:
Base-Base interactions energy: -146.067
where: short stacking energy: -68.005
Base-Backbone interact. energy: -0.110
local terms energy: -80.569452
where:
bonds (distance) C4'-P energy: -19.700
bonds (distance) P-C4' energy: -16.315
flat angles C4'-P-C4' energy: -16.049
flat angles P-C4'-P energy: -10.665
tors. eta vs tors. theta energy: -17.841
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -200.212798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.212798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.412798 (E_RNA)
where:
Base-Base interactions energy: -99.354
where: short stacking energy: -44.971
Base-Backbone interact. energy: 0.690
local terms energy: -72.748845
where:
bonds (distance) C4'-P energy: -13.851
bonds (distance) P-C4' energy: -19.327
flat angles C4'-P-C4' energy: -24.813
flat angles P-C4'-P energy: -15.809
tors. eta vs tors. theta energy: 1.051
Dist. restrs. and SS energy: -28.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -395.962737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.962737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.562737 (E_RNA)
where:
Base-Base interactions energy: -224.099
where: short stacking energy: -105.113
Base-Backbone interact. energy: -0.270
local terms energy: -121.193925
where:
bonds (distance) C4'-P energy: -23.539
bonds (distance) P-C4' energy: -25.049
flat angles C4'-P-C4' energy: -25.242
flat angles P-C4'-P energy: -16.277
tors. eta vs tors. theta energy: -31.087
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -408.690956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.690956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.290956 (E_RNA)
where:
Base-Base interactions energy: -249.215
where: short stacking energy: -104.261
Base-Backbone interact. energy: -0.714
local terms energy: -108.362444
where:
bonds (distance) C4'-P energy: -22.913
bonds (distance) P-C4' energy: -20.616
flat angles C4'-P-C4' energy: -22.836
flat angles P-C4'-P energy: -14.571
tors. eta vs tors. theta energy: -27.426
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -327.104810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.104810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.104810 (E_RNA)
where:
Base-Base interactions energy: -174.842
where: short stacking energy: -88.198
Base-Backbone interact. energy: -0.325
local terms energy: -115.938649
where:
bonds (distance) C4'-P energy: -22.276
bonds (distance) P-C4' energy: -24.821
flat angles C4'-P-C4' energy: -28.401
flat angles P-C4'-P energy: -14.767
tors. eta vs tors. theta energy: -25.674
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -337.549529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.549529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.749529 (E_RNA)
where:
Base-Base interactions energy: -198.925
where: short stacking energy: -85.873
Base-Backbone interact. energy: -0.628
local terms energy: -109.196465
where:
bonds (distance) C4'-P energy: -22.950
bonds (distance) P-C4' energy: -25.617
flat angles C4'-P-C4' energy: -23.912
flat angles P-C4'-P energy: -15.228
tors. eta vs tors. theta energy: -21.490
Dist. restrs. and SS energy: -28.800 (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: 6
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -315.633488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.633488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.433488 (E_RNA)
where:
Base-Base interactions energy: -175.374
where: short stacking energy: -72.116
Base-Backbone interact. energy: -1.966
local terms energy: -95.093529
where:
bonds (distance) C4'-P energy: -26.013
bonds (distance) P-C4' energy: -21.495
flat angles C4'-P-C4' energy: -21.387
flat angles P-C4'-P energy: -12.321
tors. eta vs tors. theta energy: -13.878
Dist. restrs. and SS energy: -43.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -292.729431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.729431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.729431 (E_RNA)
where:
Base-Base interactions energy: -162.330
where: short stacking energy: -75.750
Base-Backbone interact. energy: -0.369
local terms energy: -94.029636
where:
bonds (distance) C4'-P energy: -17.975
bonds (distance) P-C4' energy: -25.981
flat angles C4'-P-C4' energy: -21.579
flat angles P-C4'-P energy: -15.589
tors. eta vs tors. theta energy: -12.906
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -280.470634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.470634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.470634 (E_RNA)
where:
Base-Base interactions energy: -154.940
where: short stacking energy: -61.270
Base-Backbone interact. energy: -0.173
local terms energy: -89.357123
where:
bonds (distance) C4'-P energy: -18.414
bonds (distance) P-C4' energy: -22.188
flat angles C4'-P-C4' energy: -20.843
flat angles P-C4'-P energy: -10.793
tors. eta vs tors. theta energy: -17.119
Dist. restrs. and SS energy: -36.000 (S_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: 41
Temperature: 1.250000
Total energy: -255.590732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.590732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.590732 (E_RNA)
where:
Base-Base interactions energy: -124.462
where: short stacking energy: -51.723
Base-Backbone interact. energy: -1.428
local terms energy: -93.700461
where:
bonds (distance) C4'-P energy: -18.897
bonds (distance) P-C4' energy: -23.259
flat angles C4'-P-C4' energy: -22.704
flat angles P-C4'-P energy: -16.370
tors. eta vs tors. theta energy: -12.471
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -251.467581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.467581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.267581 (E_RNA)
where:
Base-Base interactions energy: -134.701
where: short stacking energy: -62.337
Base-Backbone interact. energy: -0.116
local terms energy: -82.450344
where:
bonds (distance) C4'-P energy: -17.453
bonds (distance) P-C4' energy: -24.210
flat angles C4'-P-C4' energy: -20.283
flat angles P-C4'-P energy: -10.732
tors. eta vs tors. theta energy: -9.772
Dist. restrs. and SS energy: -34.200 (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: 41
Temperature: 1.350000
Total energy: -211.283346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.283346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.483346 (E_RNA)
where:
Base-Base interactions energy: -106.685
where: short stacking energy: -57.521
Base-Backbone interact. energy: 0.795
local terms energy: -76.593294
where:
bonds (distance) C4'-P energy: -15.736
bonds (distance) P-C4' energy: -21.049
flat angles C4'-P-C4' energy: -12.856
flat angles P-C4'-P energy: -18.065
tors. eta vs tors. theta energy: -8.887
Dist. restrs. and SS energy: -28.800 (S_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: 42
Temperature: 0.900000
Total energy: -409.159369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.159369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.759369 (E_RNA)
where:
Base-Base interactions energy: -252.998
where: short stacking energy: -89.871
Base-Backbone interact. energy: -0.797
local terms energy: -104.963872
where:
bonds (distance) C4'-P energy: -20.874
bonds (distance) P-C4' energy: -17.927
flat angles C4'-P-C4' energy: -22.892
flat angles P-C4'-P energy: -15.612
tors. eta vs tors. theta energy: -27.659
Dist. restrs. and SS energy: -50.400 (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: 42
Temperature: 0.950000
Total energy: -393.599906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.599906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.999906 (E_RNA)
where:
Base-Base interactions energy: -232.040
where: short stacking energy: -93.285
Base-Backbone interact. energy: -1.310
local terms energy: -111.649988
where:
bonds (distance) C4'-P energy: -21.573
bonds (distance) P-C4' energy: -22.981
flat angles C4'-P-C4' energy: -24.042
flat angles P-C4'-P energy: -17.647
tors. eta vs tors. theta energy: -25.408
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -348.561904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.561904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.761904 (E_RNA)
where:
Base-Base interactions energy: -206.835
where: short stacking energy: -93.287
Base-Backbone interact. energy: 0.769
local terms energy: -113.696316
where:
bonds (distance) C4'-P energy: -21.307
bonds (distance) P-C4' energy: -21.568
flat angles C4'-P-C4' energy: -25.921
flat angles P-C4'-P energy: -17.087
tors. eta vs tors. theta energy: -27.814
Dist. restrs. and SS energy: -28.800 (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: 5
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -322.162505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.162505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.162505 (E_RNA)
where:
Base-Base interactions energy: -178.260
where: short stacking energy: -89.870
Base-Backbone interact. energy: 0.204
local terms energy: -108.106863
where:
bonds (distance) C4'-P energy: -20.780
bonds (distance) P-C4' energy: -23.402
flat angles C4'-P-C4' energy: -23.677
flat angles P-C4'-P energy: -18.056
tors. eta vs tors. theta energy: -22.191
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -297.995322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.995322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.995322 (E_RNA)
where:
Base-Base interactions energy: -171.074
where: short stacking energy: -60.259
Base-Backbone interact. energy: -0.964
local terms energy: -89.957435
where:
bonds (distance) C4'-P energy: -20.604
bonds (distance) P-C4' energy: -22.563
flat angles C4'-P-C4' energy: -24.177
flat angles P-C4'-P energy: -12.948
tors. eta vs tors. theta energy: -9.665
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -290.917914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.917914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.717914 (E_RNA)
where:
Base-Base interactions energy: -168.155
where: short stacking energy: -83.558
Base-Backbone interact. energy: -0.061
local terms energy: -88.501771
where:
bonds (distance) C4'-P energy: -14.699
bonds (distance) P-C4' energy: -25.937
flat angles C4'-P-C4' energy: -18.511
flat angles P-C4'-P energy: -10.116
tors. eta vs tors. theta energy: -19.239
Dist. restrs. and SS energy: -34.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -273.709566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.709566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.709566 (E_RNA)
where:
Base-Base interactions energy: -151.581
where: short stacking energy: -73.818
Base-Backbone interact. energy: -0.430
local terms energy: -85.698708
where:
bonds (distance) C4'-P energy: -21.524
bonds (distance) P-C4' energy: -19.962
flat angles C4'-P-C4' energy: -20.617
flat angles P-C4'-P energy: -11.023
tors. eta vs tors. theta energy: -12.573
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -287.744527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.744527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.544527 (E_RNA)
where:
Base-Base interactions energy: -156.626
where: short stacking energy: -79.293
Base-Backbone interact. energy: -0.856
local terms energy: -96.062663
where:
bonds (distance) C4'-P energy: -23.613
bonds (distance) P-C4' energy: -19.520
flat angles C4'-P-C4' energy: -22.529
flat angles P-C4'-P energy: -14.260
tors. eta vs tors. theta energy: -16.141
Dist. restrs. and SS energy: -34.200 (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: 2
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -264.061947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.061947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.061947 (E_RNA)
where:
Base-Base interactions energy: -149.660
where: short stacking energy: -65.770
Base-Backbone interact. energy: -0.335
local terms energy: -78.067673
where:
bonds (distance) C4'-P energy: -19.230
bonds (distance) P-C4' energy: -15.685
flat angles C4'-P-C4' energy: -17.518
flat angles P-C4'-P energy: -7.305
tors. eta vs tors. theta energy: -18.330
Dist. restrs. and SS energy: -36.000 (S_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: -205.027221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.027221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.227221 (E_RNA)
where:
Base-Base interactions energy: -113.852
where: short stacking energy: -54.801
Base-Backbone interact. energy: 1.087
local terms energy: -63.462064
where:
bonds (distance) C4'-P energy: -13.537
bonds (distance) P-C4' energy: -19.076
flat angles C4'-P-C4' energy: -18.450
flat angles P-C4'-P energy: -1.262
tors. eta vs tors. theta energy: -11.137
Dist. restrs. and SS energy: -28.800 (S_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: 43
Temperature: 0.900000
Total energy: -408.070046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.070046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.670046 (E_RNA)
where:
Base-Base interactions energy: -242.789
where: short stacking energy: -89.437
Base-Backbone interact. energy: -0.197
local terms energy: -114.684218
where:
bonds (distance) C4'-P energy: -26.357
bonds (distance) P-C4' energy: -25.271
flat angles C4'-P-C4' energy: -23.386
flat angles P-C4'-P energy: -15.456
tors. eta vs tors. theta energy: -24.214
Dist. restrs. and SS energy: -50.400 (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: 43
Temperature: 0.950000
Total energy: -396.542270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.542270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.142270 (E_RNA)
where:
Base-Base interactions energy: -231.079
where: short stacking energy: -100.458
Base-Backbone interact. energy: -0.564
local terms energy: -114.498753
where:
bonds (distance) C4'-P energy: -22.972
bonds (distance) P-C4' energy: -23.795
flat angles C4'-P-C4' energy: -20.760
flat angles P-C4'-P energy: -16.778
tors. eta vs tors. theta energy: -30.194
Dist. restrs. and SS energy: -50.400 (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: 43
Temperature: 1.000000
Total energy: -357.814039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.814039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.014039 (E_RNA)
where:
Base-Base interactions energy: -220.096
where: short stacking energy: -90.885
Base-Backbone interact. energy: -0.197
local terms energy: -108.720835
where:
bonds (distance) C4'-P energy: -21.523
bonds (distance) P-C4' energy: -23.917
flat angles C4'-P-C4' energy: -22.588
flat angles P-C4'-P energy: -16.265
tors. eta vs tors. theta energy: -24.428
Dist. restrs. and SS energy: -28.800 (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: 5
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -322.641326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.641326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.641326 (E_RNA)
where:
Base-Base interactions energy: -180.561
where: short stacking energy: -91.842
Base-Backbone interact. energy: 0.189
local terms energy: -106.269639
where:
bonds (distance) C4'-P energy: -22.346
bonds (distance) P-C4' energy: -20.646
flat angles C4'-P-C4' energy: -19.806
flat angles P-C4'-P energy: -17.394
tors. eta vs tors. theta energy: -26.078
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -281.158323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.158323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.158323 (E_RNA)
where:
Base-Base interactions energy: -163.055
where: short stacking energy: -75.922
Base-Backbone interact. energy: -0.346
local terms energy: -81.757502
where:
bonds (distance) C4'-P energy: -18.987
bonds (distance) P-C4' energy: -15.807
flat angles C4'-P-C4' energy: -19.417
flat angles P-C4'-P energy: -11.451
tors. eta vs tors. theta energy: -16.095
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -280.113518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.113518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.113518 (E_RNA)
where:
Base-Base interactions energy: -156.406
where: short stacking energy: -69.638
Base-Backbone interact. energy: -0.143
local terms energy: -87.564720
where:
bonds (distance) C4'-P energy: -21.746
bonds (distance) P-C4' energy: -25.349
flat angles C4'-P-C4' energy: -23.833
flat angles P-C4'-P energy: -9.629
tors. eta vs tors. theta energy: -7.009
Dist. restrs. and SS energy: -36.000 (S_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: 43
Temperature: 1.200000
Total energy: -303.716546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.716546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.716546 (E_RNA)
where:
Base-Base interactions energy: -167.774
where: short stacking energy: -81.438
Base-Backbone interact. energy: -0.520
local terms energy: -99.423294
where:
bonds (distance) C4'-P energy: -18.980
bonds (distance) P-C4' energy: -24.229
flat angles C4'-P-C4' energy: -21.180
flat angles P-C4'-P energy: -15.051
tors. eta vs tors. theta energy: -19.983
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -268.625421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.625421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.625421 (E_RNA)
where:
Base-Base interactions energy: -149.567
where: short stacking energy: -68.205
Base-Backbone interact. energy: -0.071
local terms energy: -82.987350
where:
bonds (distance) C4'-P energy: -16.092
bonds (distance) P-C4' energy: -23.961
flat angles C4'-P-C4' energy: -11.685
flat angles P-C4'-P energy: -14.927
tors. eta vs tors. theta energy: -16.322
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. 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: -280.496940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.496940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.296940 (E_RNA)
where:
Base-Base interactions energy: -158.503
where: short stacking energy: -52.850
Base-Backbone interact. energy: 1.632
local terms energy: -89.426524
where:
bonds (distance) C4'-P energy: -19.042
bonds (distance) P-C4' energy: -22.349
flat angles C4'-P-C4' energy: -21.683
flat angles P-C4'-P energy: -14.367
tors. eta vs tors. theta energy: -11.986
Dist. restrs. and SS energy: -34.200 (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: 43
Temperature: 1.350000
Total energy: -205.714511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.714511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.914511 (E_RNA)
where:
Base-Base interactions energy: -106.368
where: short stacking energy: -49.851
Base-Backbone interact. energy: 3.648
local terms energy: -74.194312
where:
bonds (distance) C4'-P energy: -18.545
bonds (distance) P-C4' energy: -18.510
flat angles C4'-P-C4' energy: -21.604
flat angles P-C4'-P energy: -15.636
tors. eta vs tors. theta energy: 0.101
Dist. restrs. and SS energy: -28.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -421.025896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.025896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.625896 (E_RNA)
where:
Base-Base interactions energy: -256.632
where: short stacking energy: -107.159
Base-Backbone interact. energy: 0.083
local terms energy: -114.076233
where:
bonds (distance) C4'-P energy: -22.008
bonds (distance) P-C4' energy: -24.849
flat angles C4'-P-C4' energy: -24.804
flat angles P-C4'-P energy: -12.895
tors. eta vs tors. theta energy: -29.521
Dist. restrs. and SS energy: -50.400 (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: 44
Temperature: 0.950000
Total energy: -393.016335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.016335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.616335 (E_RNA)
where:
Base-Base interactions energy: -235.953
where: short stacking energy: -92.745
Base-Backbone interact. energy: -0.212
local terms energy: -106.451374
where:
bonds (distance) C4'-P energy: -22.218
bonds (distance) P-C4' energy: -22.488
flat angles C4'-P-C4' energy: -20.984
flat angles P-C4'-P energy: -12.267
tors. eta vs tors. theta energy: -28.494
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -330.204481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.204481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.204481 (E_RNA)
where:
Base-Base interactions energy: -182.902
where: short stacking energy: -92.929
Base-Backbone interact. energy: -0.687
local terms energy: -110.615299
where:
bonds (distance) C4'-P energy: -23.027
bonds (distance) P-C4' energy: -22.601
flat angles C4'-P-C4' energy: -22.837
flat angles P-C4'-P energy: -17.969
tors. eta vs tors. theta energy: -24.182
Dist. restrs. and SS energy: -36.000 (S_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: 44
Temperature: 1.050000
Total energy: -332.945105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.945105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.145105 (E_RNA)
where:
Base-Base interactions energy: -200.385
where: short stacking energy: -89.756
Base-Backbone interact. energy: -0.225
local terms energy: -103.534922
where:
bonds (distance) C4'-P energy: -22.467
bonds (distance) P-C4' energy: -24.746
flat angles C4'-P-C4' energy: -21.285
flat angles P-C4'-P energy: -14.930
tors. eta vs tors. theta energy: -20.106
Dist. restrs. and SS energy: -28.800 (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: 9
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -294.350042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.350042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.150042 (E_RNA)
where:
Base-Base interactions energy: -155.068
where: short stacking energy: -70.513
Base-Backbone interact. energy: -0.255
local terms energy: -95.826991
where:
bonds (distance) C4'-P energy: -23.038
bonds (distance) P-C4' energy: -23.478
flat angles C4'-P-C4' energy: -24.088
flat angles P-C4'-P energy: -14.063
tors. eta vs tors. theta energy: -11.160
Dist. restrs. and SS energy: -43.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -296.185606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.185606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.185606 (E_RNA)
where:
Base-Base interactions energy: -157.165
where: short stacking energy: -82.001
Base-Backbone interact. energy: 2.007
local terms energy: -105.027888
where:
bonds (distance) C4'-P energy: -25.816
bonds (distance) P-C4' energy: -23.204
flat angles C4'-P-C4' energy: -24.207
flat angles P-C4'-P energy: -14.054
tors. eta vs tors. theta energy: -17.747
Dist. restrs. and SS energy: -36.000 (S_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: 44
Temperature: 1.200000
Total energy: -279.835343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.835343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.835343 (E_RNA)
where:
Base-Base interactions energy: -149.992
where: short stacking energy: -89.140
Base-Backbone interact. energy: 2.897
local terms energy: -96.740508
where:
bonds (distance) C4'-P energy: -19.415
bonds (distance) P-C4' energy: -21.597
flat angles C4'-P-C4' energy: -25.377
flat angles P-C4'-P energy: -9.829
tors. eta vs tors. theta energy: -20.522
Dist. restrs. and SS energy: -36.000 (S_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: 44
Temperature: 1.250000
Total energy: -273.122937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.122937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.122937 (E_RNA)
where:
Base-Base interactions energy: -156.256
where: short stacking energy: -65.591
Base-Backbone interact. energy: -0.057
local terms energy: -80.809179
where:
bonds (distance) C4'-P energy: -21.325
bonds (distance) P-C4' energy: -23.199
flat angles C4'-P-C4' energy: -12.489
flat angles P-C4'-P energy: -13.157
tors. eta vs tors. theta energy: -10.639
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -255.475102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.475102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.475102 (E_RNA)
where:
Base-Base interactions energy: -146.627
where: short stacking energy: -65.160
Base-Backbone interact. energy: 0.577
local terms energy: -73.425175
where:
bonds (distance) C4'-P energy: -16.233
bonds (distance) P-C4' energy: -21.723
flat angles C4'-P-C4' energy: -17.795
flat angles P-C4'-P energy: -8.813
tors. eta vs tors. theta energy: -8.862
Dist. restrs. and SS energy: -36.000 (S_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: 44
Temperature: 1.350000
Total energy: -197.316072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.316072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.316072 (E_RNA)
where:
Base-Base interactions energy: -101.886
where: short stacking energy: -41.916
Base-Backbone interact. energy: 1.782
local terms energy: -70.212150
where:
bonds (distance) C4'-P energy: -14.345
bonds (distance) P-C4' energy: -16.340
flat angles C4'-P-C4' energy: -20.596
flat angles P-C4'-P energy: -14.635
tors. eta vs tors. theta energy: -4.296
Dist. restrs. and SS energy: -27.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -418.702362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.702362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.302362 (E_RNA)
where:
Base-Base interactions energy: -254.140
where: short stacking energy: -100.743
Base-Backbone interact. energy: -0.275
local terms energy: -113.887851
where:
bonds (distance) C4'-P energy: -24.537
bonds (distance) P-C4' energy: -18.000
flat angles C4'-P-C4' energy: -22.058
flat angles P-C4'-P energy: -18.863
tors. eta vs tors. theta energy: -30.429
Dist. restrs. and SS energy: -50.400 (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: 45
Temperature: 0.950000
Total energy: -387.296935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.296935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.696935 (E_RNA)
where:
Base-Base interactions energy: -231.429
where: short stacking energy: -90.565
Base-Backbone interact. energy: -0.452
local terms energy: -106.815691
where:
bonds (distance) C4'-P energy: -27.179
bonds (distance) P-C4' energy: -19.712
flat angles C4'-P-C4' energy: -24.498
flat angles P-C4'-P energy: -10.693
tors. eta vs tors. theta energy: -24.734
Dist. restrs. and SS energy: -48.600 (S_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: 45
Temperature: 1.000000
Total energy: -322.885748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.885748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.885748 (E_RNA)
where:
Base-Base interactions energy: -179.785
where: short stacking energy: -71.194
Base-Backbone interact. energy: -0.211
local terms energy: -106.889492
where:
bonds (distance) C4'-P energy: -22.027
bonds (distance) P-C4' energy: -22.543
flat angles C4'-P-C4' energy: -24.885
flat angles P-C4'-P energy: -18.549
tors. eta vs tors. theta energy: -18.885
Dist. restrs. and SS energy: -36.000 (S_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: 45
Temperature: 1.050000
Total energy: -343.411500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.411500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.611500 (E_RNA)
where:
Base-Base interactions energy: -207.297
where: short stacking energy: -94.359
Base-Backbone interact. energy: -0.156
local terms energy: -107.158178
where:
bonds (distance) C4'-P energy: -20.660
bonds (distance) P-C4' energy: -24.036
flat angles C4'-P-C4' energy: -22.874
flat angles P-C4'-P energy: -15.560
tors. eta vs tors. theta energy: -24.028
Dist. restrs. and SS energy: -28.800 (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: 9
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -293.212851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.212851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.212851 (E_RNA)
where:
Base-Base interactions energy: -162.445
where: short stacking energy: -76.186
Base-Backbone interact. energy: -0.266
local terms energy: -94.500958
where:
bonds (distance) C4'-P energy: -20.094
bonds (distance) P-C4' energy: -21.386
flat angles C4'-P-C4' energy: -22.223
flat angles P-C4'-P energy: -14.135
tors. eta vs tors. theta energy: -16.662
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -284.989783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.989783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.989783 (E_RNA)
where:
Base-Base interactions energy: -150.469
where: short stacking energy: -69.673
Base-Backbone interact. energy: -1.372
local terms energy: -97.148965
where:
bonds (distance) C4'-P energy: -20.317
bonds (distance) P-C4' energy: -22.686
flat angles C4'-P-C4' energy: -26.158
flat angles P-C4'-P energy: -10.816
tors. eta vs tors. theta energy: -17.172
Dist. restrs. and SS energy: -36.000 (S_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: 45
Temperature: 1.200000
Total energy: -284.485410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.485410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.485410 (E_RNA)
where:
Base-Base interactions energy: -162.176
where: short stacking energy: -84.369
Base-Backbone interact. energy: 0.753
local terms energy: -87.062350
where:
bonds (distance) C4'-P energy: -19.651
bonds (distance) P-C4' energy: -13.266
flat angles C4'-P-C4' energy: -24.648
flat angles P-C4'-P energy: -8.492
tors. eta vs tors. theta energy: -21.005
Dist. restrs. and SS energy: -36.000 (S_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: 45
Temperature: 1.250000
Total energy: -279.575660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.575660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.575660 (E_RNA)
where:
Base-Base interactions energy: -154.810
where: short stacking energy: -69.356
Base-Backbone interact. energy: -0.878
local terms energy: -87.887837
where:
bonds (distance) C4'-P energy: -22.505
bonds (distance) P-C4' energy: -16.230
flat angles C4'-P-C4' energy: -18.960
flat angles P-C4'-P energy: -17.171
tors. eta vs tors. theta energy: -13.021
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -267.275031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.275031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.275031 (E_RNA)
where:
Base-Base interactions energy: -150.568
where: short stacking energy: -57.754
Base-Backbone interact. energy: -0.611
local terms energy: -80.096145
where:
bonds (distance) C4'-P energy: -14.870
bonds (distance) P-C4' energy: -16.959
flat angles C4'-P-C4' energy: -22.169
flat angles P-C4'-P energy: -14.355
tors. eta vs tors. theta energy: -11.743
Dist. restrs. and SS energy: -36.000 (S_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: 45
Temperature: 1.350000
Total energy: -213.482096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.482096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.682096 (E_RNA)
where:
Base-Base interactions energy: -103.303
where: short stacking energy: -59.850
Base-Backbone interact. energy: 0.457
local terms energy: -81.835964
where:
bonds (distance) C4'-P energy: -21.423
bonds (distance) P-C4' energy: -24.881
flat angles C4'-P-C4' energy: -15.923
flat angles P-C4'-P energy: -12.593
tors. eta vs tors. theta energy: -7.016
Dist. restrs. and SS energy: -28.800 (S_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: 46
Temperature: 0.900000
Total energy: -406.198717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.198717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.798717 (E_RNA)
where:
Base-Base interactions energy: -251.087
where: short stacking energy: -92.561
Base-Backbone interact. energy: 0.473
local terms energy: -105.183922
where:
bonds (distance) C4'-P energy: -20.916
bonds (distance) P-C4' energy: -12.935
flat angles C4'-P-C4' energy: -24.046
flat angles P-C4'-P energy: -20.327
tors. eta vs tors. theta energy: -26.960
Dist. restrs. and SS energy: -50.400 (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: 46
Temperature: 0.950000
Total energy: -389.484589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.484589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.084589 (E_RNA)
where:
Base-Base interactions energy: -227.698
where: short stacking energy: -89.407
Base-Backbone interact. energy: -0.769
local terms energy: -110.618101
where:
bonds (distance) C4'-P energy: -22.955
bonds (distance) P-C4' energy: -23.926
flat angles C4'-P-C4' energy: -23.578
flat angles P-C4'-P energy: -17.738
tors. eta vs tors. theta energy: -22.422
Dist. restrs. and SS energy: -50.400 (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: 46
Temperature: 1.000000
Total energy: -351.756731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.756731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.956731 (E_RNA)
where:
Base-Base interactions energy: -213.335
where: short stacking energy: -95.864
Base-Backbone interact. energy: -0.292
local terms energy: -109.330257
where:
bonds (distance) C4'-P energy: -24.815
bonds (distance) P-C4' energy: -20.959
flat angles C4'-P-C4' energy: -24.742
flat angles P-C4'-P energy: -12.822
tors. eta vs tors. theta energy: -25.991
Dist. restrs. and SS energy: -28.800 (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: 5
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -305.154059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.154059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.154059 (E_RNA)
where:
Base-Base interactions energy: -168.525
where: short stacking energy: -74.999
Base-Backbone interact. energy: 1.051
local terms energy: -101.680556
where:
bonds (distance) C4'-P energy: -17.694
bonds (distance) P-C4' energy: -19.774
flat angles C4'-P-C4' energy: -26.278
flat angles P-C4'-P energy: -18.041
tors. eta vs tors. theta energy: -19.893
Dist. restrs. and SS energy: -36.000 (S_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: 46
Temperature: 1.100000
Total energy: -288.812116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.812116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.612116 (E_RNA)
where:
Base-Base interactions energy: -156.328
where: short stacking energy: -74.685
Base-Backbone interact. energy: -0.264
local terms energy: -98.019513
where:
bonds (distance) C4'-P energy: -22.119
bonds (distance) P-C4' energy: -24.483
flat angles C4'-P-C4' energy: -23.732
flat angles P-C4'-P energy: -10.052
tors. eta vs tors. theta energy: -17.632
Dist. restrs. and SS energy: -34.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -282.966633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.966633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.766633 (E_RNA)
where:
Base-Base interactions energy: -156.974
where: short stacking energy: -74.706
Base-Backbone interact. energy: -0.210
local terms energy: -91.582487
where:
bonds (distance) C4'-P energy: -17.692
bonds (distance) P-C4' energy: -24.073
flat angles C4'-P-C4' energy: -17.054
flat angles P-C4'-P energy: -13.751
tors. eta vs tors. theta energy: -19.013
Dist. restrs. and SS energy: -34.200 (S_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: 46
Temperature: 1.200000
Total energy: -287.329660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.329660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.329660 (E_RNA)
where:
Base-Base interactions energy: -156.065
where: short stacking energy: -75.405
Base-Backbone interact. energy: -0.130
local terms energy: -95.135182
where:
bonds (distance) C4'-P energy: -18.699
bonds (distance) P-C4' energy: -24.207
flat angles C4'-P-C4' energy: -21.503
flat angles P-C4'-P energy: -9.406
tors. eta vs tors. theta energy: -21.319
Dist. restrs. and SS energy: -36.000 (S_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: 46
Temperature: 1.250000
Total energy: -271.198093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.198093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.198093 (E_RNA)
where:
Base-Base interactions energy: -144.221
where: short stacking energy: -65.744
Base-Backbone interact. energy: -0.635
local terms energy: -90.342571
where:
bonds (distance) C4'-P energy: -15.726
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -21.597
flat angles P-C4'-P energy: -16.117
tors. eta vs tors. theta energy: -21.644
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -287.040131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.040131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.640131 (E_RNA)
where:
Base-Base interactions energy: -151.929
where: short stacking energy: -66.003
Base-Backbone interact. energy: -0.400
local terms energy: -93.311101
where:
bonds (distance) C4'-P energy: -21.158
bonds (distance) P-C4' energy: -17.763
flat angles C4'-P-C4' energy: -23.375
flat angles P-C4'-P energy: -14.712
tors. eta vs tors. theta energy: -16.303
Dist. restrs. and SS energy: -41.400 (S_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: 46
Temperature: 1.350000
Total energy: -215.967022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.967022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.167022 (E_RNA)
where:
Base-Base interactions energy: -113.827
where: short stacking energy: -52.627
Base-Backbone interact. energy: -0.590
local terms energy: -72.749921
where:
bonds (distance) C4'-P energy: -18.938
bonds (distance) P-C4' energy: -17.151
flat angles C4'-P-C4' energy: -16.939
flat angles P-C4'-P energy: -14.700
tors. eta vs tors. theta energy: -5.022
Dist. restrs. and SS energy: -28.800 (S_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: 47
Temperature: 0.900000
Total energy: -424.943429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.943429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.543429 (E_RNA)
where:
Base-Base interactions energy: -261.983
where: short stacking energy: -99.141
Base-Backbone interact. energy: 0.138
local terms energy: -112.698600
where:
bonds (distance) C4'-P energy: -23.445
bonds (distance) P-C4' energy: -20.218
flat angles C4'-P-C4' energy: -25.049
flat angles P-C4'-P energy: -15.626
tors. eta vs tors. theta energy: -28.361
Dist. restrs. and SS energy: -50.400 (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: 47
Temperature: 0.950000
Total energy: -374.803684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.803684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.403684 (E_RNA)
where:
Base-Base interactions energy: -212.037
where: short stacking energy: -84.700
Base-Backbone interact. energy: -1.643
local terms energy: -110.723477
where:
bonds (distance) C4'-P energy: -21.967
bonds (distance) P-C4' energy: -23.908
flat angles C4'-P-C4' energy: -22.437
flat angles P-C4'-P energy: -17.793
tors. eta vs tors. theta energy: -24.618
Dist. restrs. and SS energy: -50.400 (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: 47
Temperature: 1.000000
Total energy: -328.633767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.633767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.633767 (E_RNA)
where:
Base-Base interactions energy: -199.862
where: short stacking energy: -83.795
Base-Backbone interact. energy: -0.017
local terms energy: -101.754705
where:
bonds (distance) C4'-P energy: -20.337
bonds (distance) P-C4' energy: -21.442
flat angles C4'-P-C4' energy: -26.710
flat angles P-C4'-P energy: -12.822
tors. eta vs tors. theta energy: -20.443
Dist. restrs. and SS energy: -27.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -336.687852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.687852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.687852 (E_RNA)
where:
Base-Base interactions energy: -197.749
where: short stacking energy: -85.278
Base-Backbone interact. energy: -0.598
local terms energy: -102.340482
where:
bonds (distance) C4'-P energy: -22.423
bonds (distance) P-C4' energy: -17.806
flat angles C4'-P-C4' energy: -22.260
flat angles P-C4'-P energy: -19.412
tors. eta vs tors. theta energy: -20.439
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. 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: -298.897639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.897639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.897639 (E_RNA)
where:
Base-Base interactions energy: -166.795
where: short stacking energy: -76.348
Base-Backbone interact. energy: -0.125
local terms energy: -95.977753
where:
bonds (distance) C4'-P energy: -22.434
bonds (distance) P-C4' energy: -19.748
flat angles C4'-P-C4' energy: -27.324
flat angles P-C4'-P energy: -13.291
tors. eta vs tors. theta energy: -13.181
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -301.342212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.342212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.142212 (E_RNA)
where:
Base-Base interactions energy: -164.988
where: short stacking energy: -84.609
Base-Backbone interact. energy: -0.099
local terms energy: -102.054354
where:
bonds (distance) C4'-P energy: -21.978
bonds (distance) P-C4' energy: -25.974
flat angles C4'-P-C4' energy: -18.421
flat angles P-C4'-P energy: -12.459
tors. eta vs tors. theta energy: -23.223
Dist. restrs. and SS energy: -34.200 (S_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: 47
Temperature: 1.200000
Total energy: -262.423168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.423168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.223168 (E_RNA)
where:
Base-Base interactions energy: -144.830
where: short stacking energy: -64.234
Base-Backbone interact. energy: -0.064
local terms energy: -83.329856
where:
bonds (distance) C4'-P energy: -21.704
bonds (distance) P-C4' energy: -13.279
flat angles C4'-P-C4' energy: -19.770
flat angles P-C4'-P energy: -18.734
tors. eta vs tors. theta energy: -9.842
Dist. restrs. and SS energy: -34.200 (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: 8
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -288.088058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.088058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.888058 (E_RNA)
where:
Base-Base interactions energy: -166.555
where: short stacking energy: -72.282
Base-Backbone interact. energy: -0.116
local terms energy: -78.217222
where:
bonds (distance) C4'-P energy: -18.446
bonds (distance) P-C4' energy: -19.748
flat angles C4'-P-C4' energy: -16.914
flat angles P-C4'-P energy: -10.041
tors. eta vs tors. theta energy: -13.069
Dist. restrs. and SS energy: -43.200 (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: 6
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -270.186781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.186781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.986781 (E_RNA)
where:
Base-Base interactions energy: -143.562
where: short stacking energy: -73.533
Base-Backbone interact. energy: -0.461
local terms energy: -91.963200
where:
bonds (distance) C4'-P energy: -20.563
bonds (distance) P-C4' energy: -21.853
flat angles C4'-P-C4' energy: -18.388
flat angles P-C4'-P energy: -15.338
tors. eta vs tors. theta energy: -15.821
Dist. restrs. and SS energy: -34.200 (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: 47
Temperature: 1.350000
Total energy: -198.512535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.512535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.712535 (E_RNA)
where:
Base-Base interactions energy: -88.917
where: short stacking energy: -44.792
Base-Backbone interact. energy: -0.066
local terms energy: -80.729783
where:
bonds (distance) C4'-P energy: -22.327
bonds (distance) P-C4' energy: -24.836
flat angles C4'-P-C4' energy: -22.660
flat angles P-C4'-P energy: -10.511
tors. eta vs tors. theta energy: -0.396
Dist. restrs. and SS energy: -28.800 (S_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: -426.410912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.410912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.010912 (E_RNA)
where:
Base-Base interactions energy: -260.959
where: short stacking energy: -104.123
Base-Backbone interact. energy: -0.698
local terms energy: -114.353408
where:
bonds (distance) C4'-P energy: -23.646
bonds (distance) P-C4' energy: -26.473
flat angles C4'-P-C4' energy: -24.541
flat angles P-C4'-P energy: -11.024
tors. eta vs tors. theta energy: -28.669
Dist. restrs. and SS energy: -50.400 (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: 48
Temperature: 0.950000
Total energy: -388.877347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.877347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.277347 (E_RNA)
where:
Base-Base interactions energy: -234.648
where: short stacking energy: -104.851
Base-Backbone interact. energy: -0.314
local terms energy: -105.315406
where:
bonds (distance) C4'-P energy: -21.763
bonds (distance) P-C4' energy: -23.568
flat angles C4'-P-C4' energy: -18.157
flat angles P-C4'-P energy: -12.547
tors. eta vs tors. theta energy: -29.280
Dist. restrs. and SS energy: -48.600 (S_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: 48
Temperature: 1.000000
Total energy: -338.849367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.849367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.649367 (E_RNA)
where:
Base-Base interactions energy: -205.510
where: short stacking energy: -90.082
Base-Backbone interact. energy: -2.230
local terms energy: -96.909686
where:
bonds (distance) C4'-P energy: -24.030
bonds (distance) P-C4' energy: -19.665
flat angles C4'-P-C4' energy: -23.910
flat angles P-C4'-P energy: -12.025
tors. eta vs tors. theta energy: -17.279
Dist. restrs. and SS energy: -34.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -322.211281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.211281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.411281 (E_RNA)
where:
Base-Base interactions energy: -187.148
where: short stacking energy: -82.936
Base-Backbone interact. energy: -0.297
local terms energy: -105.966567
where:
bonds (distance) C4'-P energy: -22.273
bonds (distance) P-C4' energy: -26.442
flat angles C4'-P-C4' energy: -19.645
flat angles P-C4'-P energy: -15.708
tors. eta vs tors. theta energy: -21.899
Dist. restrs. and SS energy: -28.800 (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: 2
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -300.424628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.424628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.424628 (E_RNA)
where:
Base-Base interactions energy: -166.853
where: short stacking energy: -80.336
Base-Backbone interact. energy: -1.025
local terms energy: -96.546926
where:
bonds (distance) C4'-P energy: -18.587
bonds (distance) P-C4' energy: -23.215
flat angles C4'-P-C4' energy: -20.956
flat angles P-C4'-P energy: -12.844
tors. eta vs tors. theta energy: -20.945
Dist. restrs. and SS energy: -36.000 (S_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: 48
Temperature: 1.150000
Total energy: -299.232029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.232029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.232029 (E_RNA)
where:
Base-Base interactions energy: -169.860
where: short stacking energy: -87.788
Base-Backbone interact. energy: -0.350
local terms energy: -93.021962
where:
bonds (distance) C4'-P energy: -14.944
bonds (distance) P-C4' energy: -18.014
flat angles C4'-P-C4' energy: -21.517
flat angles P-C4'-P energy: -14.441
tors. eta vs tors. theta energy: -24.106
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -316.396881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.396881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.996881 (E_RNA)
where:
Base-Base interactions energy: -172.369
where: short stacking energy: -63.224
Base-Backbone interact. energy: -0.902
local terms energy: -92.725678
where:
bonds (distance) C4'-P energy: -19.772
bonds (distance) P-C4' energy: -18.512
flat angles C4'-P-C4' energy: -21.778
flat angles P-C4'-P energy: -14.709
tors. eta vs tors. theta energy: -17.955
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -253.572310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.572310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.172310 (E_RNA)
where:
Base-Base interactions energy: -144.715
where: short stacking energy: -60.018
Base-Backbone interact. energy: -0.395
local terms energy: -67.062940
where:
bonds (distance) C4'-P energy: -19.386
bonds (distance) P-C4' energy: -13.397
flat angles C4'-P-C4' energy: -16.243
flat angles P-C4'-P energy: -6.784
tors. eta vs tors. theta energy: -11.253
Dist. restrs. and SS energy: -41.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -267.575196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.575196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.575196 (E_RNA)
where:
Base-Base interactions energy: -141.762
where: short stacking energy: -61.408
Base-Backbone interact. energy: -0.465
local terms energy: -89.348167
where:
bonds (distance) C4'-P energy: -18.556
bonds (distance) P-C4' energy: -22.884
flat angles C4'-P-C4' energy: -18.543
flat angles P-C4'-P energy: -14.454
tors. eta vs tors. theta energy: -14.912
Dist. restrs. and SS energy: -36.000 (S_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: 48
Temperature: 1.350000
Total energy: -233.449898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.449898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.049898 (E_RNA)
where:
Base-Base interactions energy: -119.760
where: short stacking energy: -57.105
Base-Backbone interact. energy: 1.210
local terms energy: -82.499433
where:
bonds (distance) C4'-P energy: -20.925
bonds (distance) P-C4' energy: -15.911
flat angles C4'-P-C4' energy: -19.647
flat angles P-C4'-P energy: -14.685
tors. eta vs tors. theta energy: -11.332
Dist. restrs. and SS energy: -32.400 (S_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: -421.589915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.589915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.789915 (E_RNA)
where:
Base-Base interactions energy: -263.972
where: short stacking energy: -95.763
Base-Backbone interact. energy: 0.437
local terms energy: -111.254958
where:
bonds (distance) C4'-P energy: -24.396
bonds (distance) P-C4' energy: -23.275
flat angles C4'-P-C4' energy: -20.146
flat angles P-C4'-P energy: -14.730
tors. eta vs tors. theta energy: -28.708
Dist. restrs. and SS energy: -46.800 (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: 3
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -381.388108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.388108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.788108 (E_RNA)
where:
Base-Base interactions energy: -230.461
where: short stacking energy: -100.937
Base-Backbone interact. energy: -0.189
local terms energy: -102.138726
where:
bonds (distance) C4'-P energy: -21.799
bonds (distance) P-C4' energy: -23.209
flat angles C4'-P-C4' energy: -18.910
flat angles P-C4'-P energy: -15.395
tors. eta vs tors. theta energy: -22.826
Dist. restrs. and SS energy: -48.600 (S_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: -352.258646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.258646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.058646 (E_RNA)
where:
Base-Base interactions energy: -207.551
where: short stacking energy: -85.721
Base-Backbone interact. energy: 0.223
local terms energy: -101.730002
where:
bonds (distance) C4'-P energy: -22.336
bonds (distance) P-C4' energy: -23.880
flat angles C4'-P-C4' energy: -17.100
flat angles P-C4'-P energy: -12.809
tors. eta vs tors. theta energy: -25.604
Dist. restrs. and SS energy: -43.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -301.695634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.695634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.695634 (E_RNA)
where:
Base-Base interactions energy: -166.796
where: short stacking energy: -76.691
Base-Backbone interact. energy: -0.718
local terms energy: -98.181118
where:
bonds (distance) C4'-P energy: -21.023
bonds (distance) P-C4' energy: -16.124
flat angles C4'-P-C4' energy: -22.632
flat angles P-C4'-P energy: -18.183
tors. eta vs tors. theta energy: -20.219
Dist. restrs. and SS energy: -36.000 (S_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: 49
Temperature: 1.100000
Total energy: -318.022024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.022024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.222024 (E_RNA)
where:
Base-Base interactions energy: -188.516
where: short stacking energy: -84.089
Base-Backbone interact. energy: -0.637
local terms energy: -100.069527
where:
bonds (distance) C4'-P energy: -21.290
bonds (distance) P-C4' energy: -18.492
flat angles C4'-P-C4' energy: -21.489
flat angles P-C4'-P energy: -19.252
tors. eta vs tors. theta energy: -19.547
Dist. restrs. and SS energy: -28.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -304.553800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.553800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.553800 (E_RNA)
where:
Base-Base interactions energy: -171.904
where: short stacking energy: -86.007
Base-Backbone interact. energy: 0.642
local terms energy: -97.291576
where:
bonds (distance) C4'-P energy: -22.376
bonds (distance) P-C4' energy: -20.330
flat angles C4'-P-C4' energy: -23.549
flat angles P-C4'-P energy: -12.355
tors. eta vs tors. theta energy: -18.681
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -310.212263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.212263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.612263 (E_RNA)
where:
Base-Base interactions energy: -174.132
where: short stacking energy: -73.721
Base-Backbone interact. energy: -1.092
local terms energy: -86.388632
where:
bonds (distance) C4'-P energy: -26.519
bonds (distance) P-C4' energy: -26.582
flat angles C4'-P-C4' energy: -18.152
flat angles P-C4'-P energy: -3.920
tors. eta vs tors. theta energy: -11.215
Dist. restrs. and SS energy: -48.600 (S_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: 49
Temperature: 1.250000
Total energy: -281.353238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.353238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.353238 (E_RNA)
where:
Base-Base interactions energy: -158.004
where: short stacking energy: -72.313
Base-Backbone interact. energy: -0.037
local terms energy: -87.312720
where:
bonds (distance) C4'-P energy: -17.833
bonds (distance) P-C4' energy: -23.135
flat angles C4'-P-C4' energy: -18.917
flat angles P-C4'-P energy: -11.638
tors. eta vs tors. theta energy: -15.790
Dist. restrs. and SS energy: -36.000 (S_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: 49
Temperature: 1.300000
Total energy: -246.279857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.279857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.279857 (E_RNA)
where:
Base-Base interactions energy: -129.093
where: short stacking energy: -61.505
Base-Backbone interact. energy: -0.239
local terms energy: -80.947536
where:
bonds (distance) C4'-P energy: -22.786
bonds (distance) P-C4' energy: -22.720
flat angles C4'-P-C4' energy: -17.157
flat angles P-C4'-P energy: -10.598
tors. eta vs tors. theta energy: -7.686
Dist. restrs. and SS energy: -36.000 (S_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: 49
Temperature: 1.350000
Total energy: -236.621868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.621868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.621868 (E_RNA)
where:
Base-Base interactions energy: -139.899
where: short stacking energy: -70.623
Base-Backbone interact. energy: 0.712
local terms energy: -61.435021
where:
bonds (distance) C4'-P energy: -19.368
bonds (distance) P-C4' energy: -13.734
flat angles C4'-P-C4' energy: -14.727
flat angles P-C4'-P energy: -8.726
tors. eta vs tors. theta energy: -4.880
Dist. restrs. and SS energy: -36.000 (S_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: 50
Temperature: 0.900000
Total energy: -426.732064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.732064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.332064 (E_RNA)
where:
Base-Base interactions energy: -269.176
where: short stacking energy: -95.953
Base-Backbone interact. energy: -0.675
local terms energy: -106.481046
where:
bonds (distance) C4'-P energy: -18.553
bonds (distance) P-C4' energy: -23.680
flat angles C4'-P-C4' energy: -22.511
flat angles P-C4'-P energy: -17.686
tors. eta vs tors. theta energy: -24.052
Dist. restrs. and SS energy: -50.400 (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: 50
Temperature: 0.950000
Total energy: -393.281519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.281519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.681519 (E_RNA)
where:
Base-Base interactions energy: -240.751
where: short stacking energy: -98.266
Base-Backbone interact. energy: -0.641
local terms energy: -103.289524
where:
bonds (distance) C4'-P energy: -19.643
bonds (distance) P-C4' energy: -18.492
flat angles C4'-P-C4' energy: -24.308
flat angles P-C4'-P energy: -13.437
tors. eta vs tors. theta energy: -27.410
Dist. restrs. and SS energy: -48.600 (S_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: -365.121164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.121164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.121164 (E_RNA)
where:
Base-Base interactions energy: -214.171
where: short stacking energy: -97.929
Base-Backbone interact. energy: -0.918
local terms energy: -105.032053
where:
bonds (distance) C4'-P energy: -21.832
bonds (distance) P-C4' energy: -23.531
flat angles C4'-P-C4' energy: -23.337
flat angles P-C4'-P energy: -12.306
tors. eta vs tors. theta energy: -24.026
Dist. restrs. and SS energy: -45.000 (S_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: 50
Temperature: 1.050000
Total energy: -318.135675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.135675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.135675 (E_RNA)
where:
Base-Base interactions energy: -184.497
where: short stacking energy: -88.101
Base-Backbone interact. energy: -0.185
local terms energy: -97.453072
where:
bonds (distance) C4'-P energy: -21.804
bonds (distance) P-C4' energy: -22.227
flat angles C4'-P-C4' energy: -20.564
flat angles P-C4'-P energy: -11.421
tors. eta vs tors. theta energy: -21.437
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -308.891410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.891410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.891410 (E_RNA)
where:
Base-Base interactions energy: -179.476
where: short stacking energy: -95.101
Base-Backbone interact. energy: 0.051
local terms energy: -93.465930
where:
bonds (distance) C4'-P energy: -21.822
bonds (distance) P-C4' energy: -15.999
flat angles C4'-P-C4' energy: -22.348
flat angles P-C4'-P energy: -14.627
tors. eta vs tors. theta energy: -18.669
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -334.041547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.041547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.441547 (E_RNA)
where:
Base-Base interactions energy: -208.270
where: short stacking energy: -89.665
Base-Backbone interact. energy: -0.174
local terms energy: -94.997536
where:
bonds (distance) C4'-P energy: -21.001
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -20.637
flat angles P-C4'-P energy: -12.919
tors. eta vs tors. theta energy: -25.393
Dist. restrs. and SS energy: -30.600 (S_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: 50
Temperature: 1.200000
Total energy: -293.703459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.703459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.703459 (E_RNA)
where:
Base-Base interactions energy: -164.850
where: short stacking energy: -71.493
Base-Backbone interact. energy: 0.786
local terms energy: -93.639359
where:
bonds (distance) C4'-P energy: -21.047
bonds (distance) P-C4' energy: -17.860
flat angles C4'-P-C4' energy: -20.910
flat angles P-C4'-P energy: -14.899
tors. eta vs tors. theta energy: -18.924
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -310.760547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.760547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.160547 (E_RNA)
where:
Base-Base interactions energy: -189.192
where: short stacking energy: -70.622
Base-Backbone interact. energy: -0.225
local terms energy: -72.743599
where:
bonds (distance) C4'-P energy: -15.803
bonds (distance) P-C4' energy: -17.665
flat angles C4'-P-C4' energy: -15.081
flat angles P-C4'-P energy: -12.702
tors. eta vs tors. theta energy: -11.493
Dist. restrs. and SS energy: -48.600 (S_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: 50
Temperature: 1.300000
Total energy: -239.423946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.423946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.423946 (E_RNA)
where:
Base-Base interactions energy: -127.237
where: short stacking energy: -53.381
Base-Backbone interact. energy: -0.562
local terms energy: -75.625560
where:
bonds (distance) C4'-P energy: -18.566
bonds (distance) P-C4' energy: -19.135
flat angles C4'-P-C4' energy: -16.676
flat angles P-C4'-P energy: -16.171
tors. eta vs tors. theta energy: -5.077
Dist. restrs. and SS energy: -36.000 (S_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: -260.104402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.104402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.104402 (E_RNA)
where:
Base-Base interactions energy: -135.669
where: short stacking energy: -61.092
Base-Backbone interact. energy: -0.028
local terms energy: -88.406930
where:
bonds (distance) C4'-P energy: -20.985
bonds (distance) P-C4' energy: -24.272
flat angles C4'-P-C4' energy: -22.619
flat angles P-C4'-P energy: -11.740
tors. eta vs tors. theta energy: -8.791
Dist. restrs. and SS energy: -36.000 (S_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: 51
Temperature: 0.900000
Total energy: -429.319134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.319134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.919134 (E_RNA)
where:
Base-Base interactions energy: -260.540
where: short stacking energy: -107.403
Base-Backbone interact. energy: -0.371
local terms energy: -118.008950
where:
bonds (distance) C4'-P energy: -24.925
bonds (distance) P-C4' energy: -23.573
flat angles C4'-P-C4' energy: -26.541
flat angles P-C4'-P energy: -13.339
tors. eta vs tors. theta energy: -29.630
Dist. restrs. and SS energy: -50.400 (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: 51
Temperature: 0.950000
Total energy: -400.955403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.955403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.555403 (E_RNA)
where:
Base-Base interactions energy: -238.083
where: short stacking energy: -96.498
Base-Backbone interact. energy: -0.944
local terms energy: -111.528814
where:
bonds (distance) C4'-P energy: -22.400
bonds (distance) P-C4' energy: -26.026
flat angles C4'-P-C4' energy: -24.026
flat angles P-C4'-P energy: -9.772
tors. eta vs tors. theta energy: -29.305
Dist. restrs. and SS energy: -50.400 (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: 9
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -349.208595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.208595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.208595 (E_RNA)
where:
Base-Base interactions energy: -198.766
where: short stacking energy: -84.649
Base-Backbone interact. energy: -0.616
local terms energy: -104.826343
where:
bonds (distance) C4'-P energy: -21.886
bonds (distance) P-C4' energy: -23.556
flat angles C4'-P-C4' energy: -21.794
flat angles P-C4'-P energy: -13.822
tors. eta vs tors. theta energy: -23.769
Dist. restrs. and SS energy: -45.000 (S_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: 51
Temperature: 1.050000
Total energy: -321.404084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.404084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.404084 (E_RNA)
where:
Base-Base interactions energy: -177.960
where: short stacking energy: -98.514
Base-Backbone interact. energy: -0.806
local terms energy: -106.638227
where:
bonds (distance) C4'-P energy: -22.521
bonds (distance) P-C4' energy: -21.746
flat angles C4'-P-C4' energy: -22.925
flat angles P-C4'-P energy: -15.643
tors. eta vs tors. theta energy: -23.803
Dist. restrs. and SS energy: -36.000 (S_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: 51
Temperature: 1.100000
Total energy: -318.219837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.219837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.219837 (E_RNA)
where:
Base-Base interactions energy: -175.205
where: short stacking energy: -83.276
Base-Backbone interact. energy: -0.053
local terms energy: -106.962168
where:
bonds (distance) C4'-P energy: -19.776
bonds (distance) P-C4' energy: -24.195
flat angles C4'-P-C4' energy: -21.645
flat angles P-C4'-P energy: -19.124
tors. eta vs tors. theta energy: -22.223
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -315.784363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.784363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.984363 (E_RNA)
where:
Base-Base interactions energy: -188.829
where: short stacking energy: -80.432
Base-Backbone interact. energy: 0.424
local terms energy: -98.578484
where:
bonds (distance) C4'-P energy: -18.253
bonds (distance) P-C4' energy: -22.398
flat angles C4'-P-C4' energy: -22.978
flat angles P-C4'-P energy: -15.334
tors. eta vs tors. theta energy: -19.615
Dist. restrs. and SS energy: -28.800 (S_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: 51
Temperature: 1.200000
Total energy: -287.117699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.117699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.917699 (E_RNA)
where:
Base-Base interactions energy: -156.834
where: short stacking energy: -57.389
Base-Backbone interact. energy: -2.427
local terms energy: -84.655993
where:
bonds (distance) C4'-P energy: -15.567
bonds (distance) P-C4' energy: -20.659
flat angles C4'-P-C4' energy: -22.650
flat angles P-C4'-P energy: -16.954
tors. eta vs tors. theta energy: -8.827
Dist. restrs. and SS energy: -43.200 (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: 8
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -294.359353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.359353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.959353 (E_RNA)
where:
Base-Base interactions energy: -164.488
where: short stacking energy: -62.666
Base-Backbone interact. energy: -0.215
local terms energy: -79.256963
where:
bonds (distance) C4'-P energy: -15.884
bonds (distance) P-C4' energy: -20.841
flat angles C4'-P-C4' energy: -14.326
flat angles P-C4'-P energy: -12.718
tors. eta vs tors. theta energy: -15.489
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -243.612983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.612983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.612983 (E_RNA)
where:
Base-Base interactions energy: -140.967
where: short stacking energy: -71.031
Base-Backbone interact. energy: -0.268
local terms energy: -66.377860
where:
bonds (distance) C4'-P energy: -10.813
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -17.274
flat angles P-C4'-P energy: -10.109
tors. eta vs tors. theta energy: -12.000
Dist. restrs. and SS energy: -36.000 (S_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: -274.824236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.824236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.824236 (E_RNA)
where:
Base-Base interactions energy: -148.582
where: short stacking energy: -81.828
Base-Backbone interact. energy: -0.384
local terms energy: -89.858571
where:
bonds (distance) C4'-P energy: -15.976
bonds (distance) P-C4' energy: -22.816
flat angles C4'-P-C4' energy: -23.060
flat angles P-C4'-P energy: -5.624
tors. eta vs tors. theta energy: -22.383
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -399.337058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.337058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.937058 (E_RNA)
where:
Base-Base interactions energy: -243.299
where: short stacking energy: -94.243
Base-Backbone interact. energy: -0.200
local terms energy: -105.438138
where:
bonds (distance) C4'-P energy: -20.626
bonds (distance) P-C4' energy: -23.207
flat angles C4'-P-C4' energy: -23.688
flat angles P-C4'-P energy: -14.849
tors. eta vs tors. theta energy: -23.068
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -421.929808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.929808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.529808 (E_RNA)
where:
Base-Base interactions energy: -255.135
where: short stacking energy: -93.817
Base-Backbone interact. energy: -0.352
local terms energy: -116.042654
where:
bonds (distance) C4'-P energy: -23.793
bonds (distance) P-C4' energy: -22.281
flat angles C4'-P-C4' energy: -26.099
flat angles P-C4'-P energy: -14.652
tors. eta vs tors. theta energy: -29.218
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -331.988317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.988317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.988317 (E_RNA)
where:
Base-Base interactions energy: -196.513
where: short stacking energy: -92.467
Base-Backbone interact. energy: -0.257
local terms energy: -99.218322
where:
bonds (distance) C4'-P energy: -17.592
bonds (distance) P-C4' energy: -18.686
flat angles C4'-P-C4' energy: -20.592
flat angles P-C4'-P energy: -19.782
tors. eta vs tors. theta energy: -22.566
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -357.879995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.879995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.479995 (E_RNA)
where:
Base-Base interactions energy: -206.104
where: short stacking energy: -91.926
Base-Backbone interact. energy: -0.397
local terms energy: -100.979027
where:
bonds (distance) C4'-P energy: -21.671
bonds (distance) P-C4' energy: -22.907
flat angles C4'-P-C4' energy: -24.749
flat angles P-C4'-P energy: -12.468
tors. eta vs tors. theta energy: -19.184
Dist. restrs. and SS energy: -50.400 (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: 4
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -319.723714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.723714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.923714 (E_RNA)
where:
Base-Base interactions energy: -198.836
where: short stacking energy: -83.857
Base-Backbone interact. energy: -0.527
local terms energy: -91.560414
where:
bonds (distance) C4'-P energy: -16.566
bonds (distance) P-C4' energy: -21.655
flat angles C4'-P-C4' energy: -21.083
flat angles P-C4'-P energy: -12.320
tors. eta vs tors. theta energy: -19.935
Dist. restrs. and SS energy: -28.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -290.826506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.826506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.826506 (E_RNA)
where:
Base-Base interactions energy: -169.143
where: short stacking energy: -67.341
Base-Backbone interact. energy: -0.095
local terms energy: -85.589263
where:
bonds (distance) C4'-P energy: -15.448
bonds (distance) P-C4' energy: -20.621
flat angles C4'-P-C4' energy: -23.002
flat angles P-C4'-P energy: -13.478
tors. eta vs tors. theta energy: -13.040
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -298.205490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.205490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.805490 (E_RNA)
where:
Base-Base interactions energy: -169.689
where: short stacking energy: -63.919
Base-Backbone interact. energy: 1.013
local terms energy: -79.129643
where:
bonds (distance) C4'-P energy: -11.982
bonds (distance) P-C4' energy: -20.111
flat angles C4'-P-C4' energy: -18.127
flat angles P-C4'-P energy: -12.002
tors. eta vs tors. theta energy: -16.908
Dist. restrs. and SS energy: -50.400 (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: 6
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -279.590805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.590805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.590805 (E_RNA)
where:
Base-Base interactions energy: -145.427
where: short stacking energy: -78.949
Base-Backbone interact. energy: -0.028
local terms energy: -98.135857
where:
bonds (distance) C4'-P energy: -22.620
bonds (distance) P-C4' energy: -23.882
flat angles C4'-P-C4' energy: -23.004
flat angles P-C4'-P energy: -9.054
tors. eta vs tors. theta energy: -19.575
Dist. restrs. and SS energy: -36.000 (S_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: 52
Temperature: 1.300000
Total energy: -254.626323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.626323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.626323 (E_RNA)
where:
Base-Base interactions energy: -133.848
where: short stacking energy: -67.459
Base-Backbone interact. energy: -0.105
local terms energy: -84.674129
where:
bonds (distance) C4'-P energy: -16.952
bonds (distance) P-C4' energy: -23.032
flat angles C4'-P-C4' energy: -23.247
flat angles P-C4'-P energy: -9.288
tors. eta vs tors. theta energy: -12.155
Dist. restrs. and SS energy: -36.000 (S_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: 52
Temperature: 1.350000
Total energy: -248.794870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.794870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.794870 (E_RNA)
where:
Base-Base interactions energy: -131.878
where: short stacking energy: -62.869
Base-Backbone interact. energy: 0.137
local terms energy: -81.053735
where:
bonds (distance) C4'-P energy: -25.611
bonds (distance) P-C4' energy: -17.228
flat angles C4'-P-C4' energy: -15.156
flat angles P-C4'-P energy: -7.961
tors. eta vs tors. theta energy: -15.097
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -407.685999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.685999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.285999 (E_RNA)
where:
Base-Base interactions energy: -248.214
where: short stacking energy: -97.735
Base-Backbone interact. energy: -1.045
local terms energy: -108.026597
where:
bonds (distance) C4'-P energy: -22.922
bonds (distance) P-C4' energy: -22.974
flat angles C4'-P-C4' energy: -20.641
flat angles P-C4'-P energy: -12.110
tors. eta vs tors. theta energy: -29.378
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -409.083817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.083817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.483817 (E_RNA)
where:
Base-Base interactions energy: -252.219
where: short stacking energy: -101.761
Base-Backbone interact. energy: -0.235
local terms energy: -108.029243
where:
bonds (distance) C4'-P energy: -21.530
bonds (distance) P-C4' energy: -18.494
flat angles C4'-P-C4' energy: -23.246
flat angles P-C4'-P energy: -14.268
tors. eta vs tors. theta energy: -30.490
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -340.595215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.595215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.595215 (E_RNA)
where:
Base-Base interactions energy: -197.124
where: short stacking energy: -96.465
Base-Backbone interact. energy: -0.137
local terms energy: -107.334744
where:
bonds (distance) C4'-P energy: -19.010
bonds (distance) P-C4' energy: -21.134
flat angles C4'-P-C4' energy: -24.366
flat angles P-C4'-P energy: -12.160
tors. eta vs tors. theta energy: -30.664
Dist. restrs. and SS energy: -36.000 (S_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: 53
Temperature: 1.050000
Total energy: -358.144939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.144939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.544939 (E_RNA)
where:
Base-Base interactions energy: -206.764
where: short stacking energy: -84.286
Base-Backbone interact. energy: -0.054
local terms energy: -102.726859
where:
bonds (distance) C4'-P energy: -21.187
bonds (distance) P-C4' energy: -22.162
flat angles C4'-P-C4' energy: -24.121
flat angles P-C4'-P energy: -12.773
tors. eta vs tors. theta energy: -22.485
Dist. restrs. and SS energy: -48.600 (S_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: -330.392158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.392158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.792158 (E_RNA)
where:
Base-Base interactions energy: -198.355
where: short stacking energy: -80.420
Base-Backbone interact. energy: -0.792
local terms energy: -100.645212
where:
bonds (distance) C4'-P energy: -21.430
bonds (distance) P-C4' energy: -24.350
flat angles C4'-P-C4' energy: -22.755
flat angles P-C4'-P energy: -13.629
tors. eta vs tors. theta energy: -18.481
Dist. restrs. and SS energy: -30.600 (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: 53
Temperature: 1.150000
Total energy: -315.430604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.430604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.030604 (E_RNA)
where:
Base-Base interactions energy: -170.015
where: short stacking energy: -69.896
Base-Backbone interact. energy: -0.542
local terms energy: -94.473882
where:
bonds (distance) C4'-P energy: -20.140
bonds (distance) P-C4' energy: -16.282
flat angles C4'-P-C4' energy: -26.830
flat angles P-C4'-P energy: -14.513
tors. eta vs tors. theta energy: -16.710
Dist. restrs. and SS energy: -50.400 (S_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: 53
Temperature: 1.200000
Total energy: -298.911840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.911840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.911840 (E_RNA)
where:
Base-Base interactions energy: -170.112
where: short stacking energy: -80.903
Base-Backbone interact. energy: -0.173
local terms energy: -92.627377
where:
bonds (distance) C4'-P energy: -15.908
bonds (distance) P-C4' energy: -20.970
flat angles C4'-P-C4' energy: -22.477
flat angles P-C4'-P energy: -14.913
tors. eta vs tors. theta energy: -18.360
Dist. restrs. and SS energy: -36.000 (S_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: 53
Temperature: 1.250000
Total energy: -271.367307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.367307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.367307 (E_RNA)
where:
Base-Base interactions energy: -155.060
where: short stacking energy: -66.546
Base-Backbone interact. energy: 0.072
local terms energy: -80.379199
where:
bonds (distance) C4'-P energy: -16.318
bonds (distance) P-C4' energy: -23.367
flat angles C4'-P-C4' energy: -16.467
flat angles P-C4'-P energy: -10.660
tors. eta vs tors. theta energy: -13.566
Dist. restrs. and SS energy: -36.000 (S_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: 53
Temperature: 1.300000
Total energy: -264.282279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.282279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.482279 (E_RNA)
where:
Base-Base interactions energy: -147.005
where: short stacking energy: -62.147
Base-Backbone interact. energy: -0.065
local terms energy: -79.412016
where:
bonds (distance) C4'-P energy: -21.121
bonds (distance) P-C4' energy: -16.768
flat angles C4'-P-C4' energy: -19.183
flat angles P-C4'-P energy: -7.709
tors. eta vs tors. theta energy: -14.630
Dist. restrs. and SS energy: -37.800 (S_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: 53
Temperature: 1.350000
Total energy: -251.899874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.899874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.899874 (E_RNA)
where:
Base-Base interactions energy: -139.804
where: short stacking energy: -58.334
Base-Backbone interact. energy: -0.276
local terms energy: -75.819981
where:
bonds (distance) C4'-P energy: -12.505
bonds (distance) P-C4' energy: -15.862
flat angles C4'-P-C4' energy: -20.764
flat angles P-C4'-P energy: -17.012
tors. eta vs tors. theta energy: -9.678
Dist. restrs. and SS energy: -36.000 (S_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: 54
Temperature: 0.900000
Total energy: -422.249498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.249498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.849498 (E_RNA)
where:
Base-Base interactions energy: -253.647
where: short stacking energy: -97.365
Base-Backbone interact. energy: -0.075
local terms energy: -118.127558
where:
bonds (distance) C4'-P energy: -27.927
bonds (distance) P-C4' energy: -21.422
flat angles C4'-P-C4' energy: -20.057
flat angles P-C4'-P energy: -15.980
tors. eta vs tors. theta energy: -32.742
Dist. restrs. and SS energy: -50.400 (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: 54
Temperature: 0.950000
Total energy: -386.816264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.816264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.416264 (E_RNA)
where:
Base-Base interactions energy: -236.494
where: short stacking energy: -98.344
Base-Backbone interact. energy: 0.185
local terms energy: -100.108080
where:
bonds (distance) C4'-P energy: -23.596
bonds (distance) P-C4' energy: -15.896
flat angles C4'-P-C4' energy: -19.258
flat angles P-C4'-P energy: -13.604
tors. eta vs tors. theta energy: -27.754
Dist. restrs. and SS energy: -50.400 (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: 9
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -377.609545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.609545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.209545 (E_RNA)
where:
Base-Base interactions energy: -224.103
where: short stacking energy: -94.277
Base-Backbone interact. energy: -0.604
local terms energy: -102.503395
where:
bonds (distance) C4'-P energy: -22.950
bonds (distance) P-C4' energy: -22.985
flat angles C4'-P-C4' energy: -18.774
flat angles P-C4'-P energy: -14.404
tors. eta vs tors. theta energy: -23.390
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -336.190536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.190536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.190536 (E_RNA)
where:
Base-Base interactions energy: -197.911
where: short stacking energy: -90.732
Base-Backbone interact. energy: 1.229
local terms energy: -103.508656
where:
bonds (distance) C4'-P energy: -21.112
bonds (distance) P-C4' energy: -22.972
flat angles C4'-P-C4' energy: -22.350
flat angles P-C4'-P energy: -14.829
tors. eta vs tors. theta energy: -22.245
Dist. restrs. and SS energy: -36.000 (S_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: 54
Temperature: 1.100000
Total energy: -333.222625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.222625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.822625 (E_RNA)
where:
Base-Base interactions energy: -190.593
where: short stacking energy: -73.701
Base-Backbone interact. energy: -0.416
local terms energy: -91.814262
where:
bonds (distance) C4'-P energy: -21.435
bonds (distance) P-C4' energy: -17.625
flat angles C4'-P-C4' energy: -22.155
flat angles P-C4'-P energy: -13.417
tors. eta vs tors. theta energy: -17.183
Dist. restrs. and SS energy: -50.400 (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: 4
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -328.928692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.928692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.328692 (E_RNA)
where:
Base-Base interactions energy: -196.008
where: short stacking energy: -77.894
Base-Backbone interact. energy: -0.181
local terms energy: -102.139472
where:
bonds (distance) C4'-P energy: -22.155
bonds (distance) P-C4' energy: -23.655
flat angles C4'-P-C4' energy: -18.723
flat angles P-C4'-P energy: -15.883
tors. eta vs tors. theta energy: -21.724
Dist. restrs. and SS energy: -30.600 (S_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: 54
Temperature: 1.200000
Total energy: -288.424339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.424339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.424339 (E_RNA)
where:
Base-Base interactions energy: -164.404
where: short stacking energy: -69.810
Base-Backbone interact. energy: -1.089
local terms energy: -86.931712
where:
bonds (distance) C4'-P energy: -16.611
bonds (distance) P-C4' energy: -19.815
flat angles C4'-P-C4' energy: -21.150
flat angles P-C4'-P energy: -13.728
tors. eta vs tors. theta energy: -15.628
Dist. restrs. and SS energy: -36.000 (S_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: 54
Temperature: 1.250000
Total energy: -287.932913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.932913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.932913 (E_RNA)
where:
Base-Base interactions energy: -177.638
where: short stacking energy: -84.560
Base-Backbone interact. energy: -0.668
local terms energy: -73.627315
where:
bonds (distance) C4'-P energy: -14.796
bonds (distance) P-C4' energy: -13.971
flat angles C4'-P-C4' energy: -16.233
flat angles P-C4'-P energy: -11.087
tors. eta vs tors. theta energy: -17.541
Dist. restrs. and SS energy: -36.000 (S_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: 54
Temperature: 1.300000
Total energy: -253.706015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.706015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.706015 (E_RNA)
where:
Base-Base interactions energy: -132.478
where: short stacking energy: -53.996
Base-Backbone interact. energy: 0.921
local terms energy: -86.149017
where:
bonds (distance) C4'-P energy: -22.505
bonds (distance) P-C4' energy: -18.627
flat angles C4'-P-C4' energy: -23.223
flat angles P-C4'-P energy: -17.333
tors. eta vs tors. theta energy: -4.461
Dist. restrs. and SS energy: -36.000 (S_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: 54
Temperature: 1.350000
Total energy: -241.160452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.160452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.960452 (E_RNA)
where:
Base-Base interactions energy: -127.140
where: short stacking energy: -60.298
Base-Backbone interact. energy: -0.862
local terms energy: -78.959072
where:
bonds (distance) C4'-P energy: -19.839
bonds (distance) P-C4' energy: -19.451
flat angles C4'-P-C4' energy: -23.517
flat angles P-C4'-P energy: -8.876
tors. eta vs tors. theta energy: -7.276
Dist. restrs. and SS energy: -34.200 (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: 10
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -422.641865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.641865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.241865 (E_RNA)
where:
Base-Base interactions energy: -247.473
where: short stacking energy: -104.915
Base-Backbone interact. energy: -0.866
local terms energy: -123.902430
where:
bonds (distance) C4'-P energy: -18.636
bonds (distance) P-C4' energy: -24.846
flat angles C4'-P-C4' energy: -27.061
flat angles P-C4'-P energy: -19.245
tors. eta vs tors. theta energy: -34.114
Dist. restrs. and SS energy: -50.400 (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: 55
Temperature: 0.950000
Total energy: -385.651643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.651643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.251643 (E_RNA)
where:
Base-Base interactions energy: -227.140
where: short stacking energy: -90.981
Base-Backbone interact. energy: -0.374
local terms energy: -107.737444
where:
bonds (distance) C4'-P energy: -22.842
bonds (distance) P-C4' energy: -25.247
flat angles C4'-P-C4' energy: -23.295
flat angles P-C4'-P energy: -12.143
tors. eta vs tors. theta energy: -24.211
Dist. restrs. and SS energy: -50.400 (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: 3
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -381.819905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.819905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.419905 (E_RNA)
where:
Base-Base interactions energy: -227.739
where: short stacking energy: -91.476
Base-Backbone interact. energy: -0.495
local terms energy: -103.186362
where:
bonds (distance) C4'-P energy: -26.576
bonds (distance) P-C4' energy: -22.133
flat angles C4'-P-C4' energy: -19.416
flat angles P-C4'-P energy: -13.022
tors. eta vs tors. theta energy: -22.039
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -339.788634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.788634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.388634 (E_RNA)
where:
Base-Base interactions energy: -196.184
where: short stacking energy: -84.227
Base-Backbone interact. energy: -0.334
local terms energy: -92.871426
where:
bonds (distance) C4'-P energy: -20.670
bonds (distance) P-C4' energy: -17.351
flat angles C4'-P-C4' energy: -17.569
flat angles P-C4'-P energy: -16.791
tors. eta vs tors. theta energy: -20.490
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -330.103759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.103759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.903759 (E_RNA)
where:
Base-Base interactions energy: -192.089
where: short stacking energy: -79.649
Base-Backbone interact. energy: -0.288
local terms energy: -103.526054
where:
bonds (distance) C4'-P energy: -20.092
bonds (distance) P-C4' energy: -20.126
flat angles C4'-P-C4' energy: -25.042
flat angles P-C4'-P energy: -18.402
tors. eta vs tors. theta energy: -19.864
Dist. restrs. and SS energy: -34.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -308.452208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.452208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.452208 (E_RNA)
where:
Base-Base interactions energy: -177.146
where: short stacking energy: -79.278
Base-Backbone interact. energy: -0.122
local terms energy: -95.184689
where:
bonds (distance) C4'-P energy: -20.760
bonds (distance) P-C4' energy: -19.121
flat angles C4'-P-C4' energy: -21.566
flat angles P-C4'-P energy: -13.369
tors. eta vs tors. theta energy: -20.370
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -288.536973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.536973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.736973 (E_RNA)
where:
Base-Base interactions energy: -161.871
where: short stacking energy: -67.329
Base-Backbone interact. energy: -0.251
local terms energy: -97.615113
where:
bonds (distance) C4'-P energy: -21.375
bonds (distance) P-C4' energy: -18.787
flat angles C4'-P-C4' energy: -21.366
flat angles P-C4'-P energy: -19.078
tors. eta vs tors. theta energy: -17.009
Dist. restrs. and SS energy: -28.800 (S_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: 55
Temperature: 1.250000
Total energy: -298.718695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.718695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.518695 (E_RNA)
where:
Base-Base interactions energy: -175.800
where: short stacking energy: -78.046
Base-Backbone interact. energy: -0.823
local terms energy: -87.895696
where:
bonds (distance) C4'-P energy: -20.516
bonds (distance) P-C4' energy: -16.109
flat angles C4'-P-C4' energy: -21.240
flat angles P-C4'-P energy: -13.049
tors. eta vs tors. theta energy: -16.982
Dist. restrs. and SS energy: -34.200 (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: 2
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -271.532605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.532605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.532605 (E_RNA)
where:
Base-Base interactions energy: -153.202
where: short stacking energy: -65.944
Base-Backbone interact. energy: -0.236
local terms energy: -82.095185
where:
bonds (distance) C4'-P energy: -19.787
bonds (distance) P-C4' energy: -23.927
flat angles C4'-P-C4' energy: -16.391
flat angles P-C4'-P energy: -9.257
tors. eta vs tors. theta energy: -12.732
Dist. restrs. and SS energy: -36.000 (S_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: 55
Temperature: 1.350000
Total energy: -261.855425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.855425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.455425 (E_RNA)
where:
Base-Base interactions energy: -138.566
where: short stacking energy: -66.612
Base-Backbone interact. energy: -0.256
local terms energy: -90.633802
where:
bonds (distance) C4'-P energy: -15.730
bonds (distance) P-C4' energy: -21.838
flat angles C4'-P-C4' energy: -22.238
flat angles P-C4'-P energy: -14.591
tors. eta vs tors. theta energy: -16.237
Dist. restrs. and SS energy: -32.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -422.280261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.280261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.880261 (E_RNA)
where:
Base-Base interactions energy: -256.785
where: short stacking energy: -98.907
Base-Backbone interact. energy: -0.861
local terms energy: -114.234333
where:
bonds (distance) C4'-P energy: -23.602
bonds (distance) P-C4' energy: -21.736
flat angles C4'-P-C4' energy: -21.738
flat angles P-C4'-P energy: -16.526
tors. eta vs tors. theta energy: -30.632
Dist. restrs. and SS energy: -50.400 (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: 56
Temperature: 0.950000
Total energy: -377.029251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.029251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.629251 (E_RNA)
where:
Base-Base interactions energy: -218.745
where: short stacking energy: -84.758
Base-Backbone interact. energy: -0.667
local terms energy: -107.216713
where:
bonds (distance) C4'-P energy: -22.305
bonds (distance) P-C4' energy: -24.987
flat angles C4'-P-C4' energy: -23.620
flat angles P-C4'-P energy: -14.859
tors. eta vs tors. theta energy: -21.446
Dist. restrs. and SS energy: -50.400 (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: 3
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -357.135303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.135303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.535303 (E_RNA)
where:
Base-Base interactions energy: -207.229
where: short stacking energy: -81.314
Base-Backbone interact. energy: 1.777
local terms energy: -103.083931
where:
bonds (distance) C4'-P energy: -27.881
bonds (distance) P-C4' energy: -21.019
flat angles C4'-P-C4' energy: -18.307
flat angles P-C4'-P energy: -18.122
tors. eta vs tors. theta energy: -17.756
Dist. restrs. and SS energy: -48.600 (S_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: 56
Temperature: 1.050000
Total energy: -339.136883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.136883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.736883 (E_RNA)
where:
Base-Base interactions energy: -187.861
where: short stacking energy: -75.853
Base-Backbone interact. energy: -1.194
local terms energy: -99.681765
where:
bonds (distance) C4'-P energy: -20.429
bonds (distance) P-C4' energy: -26.224
flat angles C4'-P-C4' energy: -21.023
flat angles P-C4'-P energy: -15.947
tors. eta vs tors. theta energy: -16.059
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -330.093377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.093377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.093377 (E_RNA)
where:
Base-Base interactions energy: -201.103
where: short stacking energy: -89.534
Base-Backbone interact. energy: -0.316
local terms energy: -92.674281
where:
bonds (distance) C4'-P energy: -17.588
bonds (distance) P-C4' energy: -19.925
flat angles C4'-P-C4' energy: -22.773
flat angles P-C4'-P energy: -13.702
tors. eta vs tors. theta energy: -18.687
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -308.602603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.602603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.402603 (E_RNA)
where:
Base-Base interactions energy: -189.830
where: short stacking energy: -86.592
Base-Backbone interact. energy: 1.282
local terms energy: -85.853795
where:
bonds (distance) C4'-P energy: -15.810
bonds (distance) P-C4' energy: -23.308
flat angles C4'-P-C4' energy: -18.657
flat angles P-C4'-P energy: -6.086
tors. eta vs tors. theta energy: -21.992
Dist. restrs. and SS energy: -34.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -282.886021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.886021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.086021 (E_RNA)
where:
Base-Base interactions energy: -161.532
where: short stacking energy: -63.675
Base-Backbone interact. energy: -0.321
local terms energy: -92.232748
where:
bonds (distance) C4'-P energy: -19.707
bonds (distance) P-C4' energy: -19.484
flat angles C4'-P-C4' energy: -18.704
flat angles P-C4'-P energy: -19.574
tors. eta vs tors. theta energy: -14.764
Dist. restrs. and SS energy: -28.800 (S_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: 56
Temperature: 1.250000
Total energy: -290.009715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.009715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.009715 (E_RNA)
where:
Base-Base interactions energy: -168.687
where: short stacking energy: -85.989
Base-Backbone interact. energy: -0.118
local terms energy: -85.204724
where:
bonds (distance) C4'-P energy: -22.101
bonds (distance) P-C4' energy: -11.835
flat angles C4'-P-C4' energy: -20.785
flat angles P-C4'-P energy: -12.975
tors. eta vs tors. theta energy: -17.508
Dist. restrs. and SS energy: -36.000 (S_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: 56
Temperature: 1.300000
Total energy: -262.532158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.532158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.332158 (E_RNA)
where:
Base-Base interactions energy: -145.384
where: short stacking energy: -74.241
Base-Backbone interact. energy: -0.325
local terms energy: -82.623233
where:
bonds (distance) C4'-P energy: -24.434
bonds (distance) P-C4' energy: -16.957
flat angles C4'-P-C4' energy: -13.219
flat angles P-C4'-P energy: -13.824
tors. eta vs tors. theta energy: -14.190
Dist. restrs. and SS energy: -34.200 (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: 2
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -259.820485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.820485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.620485 (E_RNA)
where:
Base-Base interactions energy: -133.592
where: short stacking energy: -53.349
Base-Backbone interact. energy: -0.198
local terms energy: -82.830410
where:
bonds (distance) C4'-P energy: -16.492
bonds (distance) P-C4' energy: -24.131
flat angles C4'-P-C4' energy: -19.781
flat angles P-C4'-P energy: -10.950
tors. eta vs tors. theta energy: -11.476
Dist. restrs. and SS energy: -43.200 (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: 10
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -427.853506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.853506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.453506 (E_RNA)
where:
Base-Base interactions energy: -253.480
where: short stacking energy: -97.593
Base-Backbone interact. energy: -0.038
local terms energy: -123.935003
where:
bonds (distance) C4'-P energy: -26.354
bonds (distance) P-C4' energy: -23.544
flat angles C4'-P-C4' energy: -27.053
flat angles P-C4'-P energy: -19.943
tors. eta vs tors. theta energy: -27.042
Dist. restrs. and SS energy: -50.400 (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: 57
Temperature: 0.950000
Total energy: -380.493694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.493694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.093694 (E_RNA)
where:
Base-Base interactions energy: -218.905
where: short stacking energy: -91.575
Base-Backbone interact. energy: -0.753
local terms energy: -110.435369
where:
bonds (distance) C4'-P energy: -23.128
bonds (distance) P-C4' energy: -24.571
flat angles C4'-P-C4' energy: -24.082
flat angles P-C4'-P energy: -14.265
tors. eta vs tors. theta energy: -24.388
Dist. restrs. and SS energy: -50.400 (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: 3
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -356.137197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.137197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.737197 (E_RNA)
where:
Base-Base interactions energy: -209.595
where: short stacking energy: -95.639
Base-Backbone interact. energy: -0.194
local terms energy: -95.947923
where:
bonds (distance) C4'-P energy: -13.985
bonds (distance) P-C4' energy: -20.109
flat angles C4'-P-C4' energy: -21.275
flat angles P-C4'-P energy: -19.186
tors. eta vs tors. theta energy: -21.392
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -349.840748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.840748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.440748 (E_RNA)
where:
Base-Base interactions energy: -194.723
where: short stacking energy: -80.811
Base-Backbone interact. energy: 0.997
local terms energy: -105.714882
where:
bonds (distance) C4'-P energy: -25.035
bonds (distance) P-C4' energy: -19.991
flat angles C4'-P-C4' energy: -27.340
flat angles P-C4'-P energy: -11.927
tors. eta vs tors. theta energy: -21.421
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -323.002360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.002360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.802360 (E_RNA)
where:
Base-Base interactions energy: -188.584
where: short stacking energy: -91.221
Base-Backbone interact. energy: -0.635
local terms energy: -99.583537
where:
bonds (distance) C4'-P energy: -22.873
bonds (distance) P-C4' energy: -19.781
flat angles C4'-P-C4' energy: -23.255
flat angles P-C4'-P energy: -13.812
tors. eta vs tors. theta energy: -19.862
Dist. restrs. and SS energy: -34.200 (S_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: 57
Temperature: 1.150000
Total energy: -287.881642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.881642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.881642 (E_RNA)
where:
Base-Base interactions energy: -151.246
where: short stacking energy: -74.304
Base-Backbone interact. energy: -0.153
local terms energy: -100.482500
where:
bonds (distance) C4'-P energy: -20.632
bonds (distance) P-C4' energy: -24.913
flat angles C4'-P-C4' energy: -18.802
flat angles P-C4'-P energy: -18.667
tors. eta vs tors. theta energy: -17.469
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -284.099672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.099672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.099672 (E_RNA)
where:
Base-Base interactions energy: -154.135
where: short stacking energy: -64.589
Base-Backbone interact. energy: 1.100
local terms energy: -95.064086
where:
bonds (distance) C4'-P energy: -20.003
bonds (distance) P-C4' energy: -26.714
flat angles C4'-P-C4' energy: -19.108
flat angles P-C4'-P energy: -13.376
tors. eta vs tors. theta energy: -15.864
Dist. restrs. and SS energy: -36.000 (S_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: 57
Temperature: 1.250000
Total energy: -266.584388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.584388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.384388 (E_RNA)
where:
Base-Base interactions energy: -146.522
where: short stacking energy: -61.435
Base-Backbone interact. energy: -0.928
local terms energy: -84.933920
where:
bonds (distance) C4'-P energy: -25.398
bonds (distance) P-C4' energy: -16.232
flat angles C4'-P-C4' energy: -18.653
flat angles P-C4'-P energy: -12.060
tors. eta vs tors. theta energy: -12.590
Dist. restrs. and SS energy: -34.200 (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: 7
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -268.149337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.149337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.149337 (E_RNA)
where:
Base-Base interactions energy: -144.616
where: short stacking energy: -59.450
Base-Backbone interact. energy: 0.777
local terms energy: -88.310256
where:
bonds (distance) C4'-P energy: -23.871
bonds (distance) P-C4' energy: -22.339
flat angles C4'-P-C4' energy: -13.128
flat angles P-C4'-P energy: -16.212
tors. eta vs tors. theta energy: -12.760
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -274.366351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.366351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.366351 (E_RNA)
where:
Base-Base interactions energy: -146.722
where: short stacking energy: -61.739
Base-Backbone interact. energy: 1.182
local terms energy: -92.826275
where:
bonds (distance) C4'-P energy: -22.648
bonds (distance) P-C4' energy: -17.835
flat angles C4'-P-C4' energy: -20.380
flat angles P-C4'-P energy: -16.644
tors. eta vs tors. theta energy: -15.319
Dist. restrs. and SS energy: -36.000 (S_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: -387.568548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.568548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.168548 (E_RNA)
where:
Base-Base interactions energy: -222.530
where: short stacking energy: -87.880
Base-Backbone interact. energy: 0.439
local terms energy: -115.077343
where:
bonds (distance) C4'-P energy: -22.369
bonds (distance) P-C4' energy: -21.717
flat angles C4'-P-C4' energy: -28.187
flat angles P-C4'-P energy: -16.879
tors. eta vs tors. theta energy: -25.926
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -421.723378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.723378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.323378 (E_RNA)
where:
Base-Base interactions energy: -251.764
where: short stacking energy: -102.035
Base-Backbone interact. energy: -0.446
local terms energy: -119.113210
where:
bonds (distance) C4'-P energy: -21.295
bonds (distance) P-C4' energy: -26.675
flat angles C4'-P-C4' energy: -25.738
flat angles P-C4'-P energy: -16.718
tors. eta vs tors. theta energy: -28.688
Dist. restrs. and SS energy: -50.400 (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: 58
Temperature: 1.000000
Total energy: -379.970292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.970292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.570292 (E_RNA)
where:
Base-Base interactions energy: -218.151
where: short stacking energy: -87.994
Base-Backbone interact. energy: -0.550
local terms energy: -110.869757
where:
bonds (distance) C4'-P energy: -26.308
bonds (distance) P-C4' energy: -21.800
flat angles C4'-P-C4' energy: -19.754
flat angles P-C4'-P energy: -20.148
tors. eta vs tors. theta energy: -22.860
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -362.576442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.576442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.976442 (E_RNA)
where:
Base-Base interactions energy: -205.975
where: short stacking energy: -93.663
Base-Backbone interact. energy: -0.183
local terms energy: -107.818923
where:
bonds (distance) C4'-P energy: -22.922
bonds (distance) P-C4' energy: -24.595
flat angles C4'-P-C4' energy: -25.101
flat angles P-C4'-P energy: -9.276
tors. eta vs tors. theta energy: -25.925
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -322.029344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.029344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.029344 (E_RNA)
where:
Base-Base interactions energy: -193.177
where: short stacking energy: -71.485
Base-Backbone interact. energy: -0.337
local terms energy: -92.515200
where:
bonds (distance) C4'-P energy: -17.184
bonds (distance) P-C4' energy: -19.800
flat angles C4'-P-C4' energy: -18.325
flat angles P-C4'-P energy: -15.337
tors. eta vs tors. theta energy: -21.869
Dist. restrs. and SS energy: -36.000 (S_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: 58
Temperature: 1.150000
Total energy: -282.230888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.230888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.230888 (E_RNA)
where:
Base-Base interactions energy: -169.025
where: short stacking energy: -83.148
Base-Backbone interact. energy: -0.094
local terms energy: -77.112291
where:
bonds (distance) C4'-P energy: -10.279
bonds (distance) P-C4' energy: -20.579
flat angles C4'-P-C4' energy: -18.342
flat angles P-C4'-P energy: -8.673
tors. eta vs tors. theta energy: -19.240
Dist. restrs. and SS energy: -36.000 (S_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: 58
Temperature: 1.200000
Total energy: -285.773898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.773898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.573898 (E_RNA)
where:
Base-Base interactions energy: -152.023
where: short stacking energy: -65.836
Base-Backbone interact. energy: -0.101
local terms energy: -99.449320
where:
bonds (distance) C4'-P energy: -24.644
bonds (distance) P-C4' energy: -24.698
flat angles C4'-P-C4' energy: -20.805
flat angles P-C4'-P energy: -9.541
tors. eta vs tors. theta energy: -19.761
Dist. restrs. and SS energy: -34.200 (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: 58
Temperature: 1.250000
Total energy: -262.293732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.293732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.293732 (E_RNA)
where:
Base-Base interactions energy: -139.379
where: short stacking energy: -72.457
Base-Backbone interact. energy: -0.130
local terms energy: -86.784502
where:
bonds (distance) C4'-P energy: -18.695
bonds (distance) P-C4' energy: -18.674
flat angles C4'-P-C4' energy: -27.515
flat angles P-C4'-P energy: -5.782
tors. eta vs tors. theta energy: -16.119
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -270.654115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.654115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.654115 (E_RNA)
where:
Base-Base interactions energy: -143.350
where: short stacking energy: -61.232
Base-Backbone interact. energy: -0.147
local terms energy: -91.157065
where:
bonds (distance) C4'-P energy: -17.167
bonds (distance) P-C4' energy: -17.920
flat angles C4'-P-C4' energy: -23.200
flat angles P-C4'-P energy: -14.667
tors. eta vs tors. theta energy: -18.204
Dist. restrs. and SS energy: -36.000 (S_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: 58
Temperature: 1.350000
Total energy: -276.382689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.382689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.382689 (E_RNA)
where:
Base-Base interactions energy: -148.100
where: short stacking energy: -67.735
Base-Backbone interact. energy: -0.323
local terms energy: -91.959143
where:
bonds (distance) C4'-P energy: -21.320
bonds (distance) P-C4' energy: -20.412
flat angles C4'-P-C4' energy: -23.166
flat angles P-C4'-P energy: -11.106
tors. eta vs tors. theta energy: -15.956
Dist. restrs. and SS energy: -36.000 (S_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: -387.494087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.494087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.094087 (E_RNA)
where:
Base-Base interactions energy: -221.009
where: short stacking energy: -95.322
Base-Backbone interact. energy: -0.736
local terms energy: -115.349169
where:
bonds (distance) C4'-P energy: -23.572
bonds (distance) P-C4' energy: -24.121
flat angles C4'-P-C4' energy: -25.546
flat angles P-C4'-P energy: -18.540
tors. eta vs tors. theta energy: -23.569
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -406.986195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.986195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.586195 (E_RNA)
where:
Base-Base interactions energy: -257.380
where: short stacking energy: -98.668
Base-Backbone interact. energy: -1.543
local terms energy: -97.662497
where:
bonds (distance) C4'-P energy: -18.202
bonds (distance) P-C4' energy: -19.978
flat angles C4'-P-C4' energy: -18.560
flat angles P-C4'-P energy: -9.742
tors. eta vs tors. theta energy: -31.180
Dist. restrs. and SS energy: -50.400 (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: 59
Temperature: 1.000000
Total energy: -379.990580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.990580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.590580 (E_RNA)
where:
Base-Base interactions energy: -229.673
where: short stacking energy: -88.987
Base-Backbone interact. energy: -0.090
local terms energy: -99.826969
where:
bonds (distance) C4'-P energy: -19.238
bonds (distance) P-C4' energy: -22.637
flat angles C4'-P-C4' energy: -16.523
flat angles P-C4'-P energy: -15.117
tors. eta vs tors. theta energy: -26.312
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -371.046963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.046963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.646963 (E_RNA)
where:
Base-Base interactions energy: -214.570
where: short stacking energy: -77.348
Base-Backbone interact. energy: -1.038
local terms energy: -105.039416
where:
bonds (distance) C4'-P energy: -17.582
bonds (distance) P-C4' energy: -25.597
flat angles C4'-P-C4' energy: -26.535
flat angles P-C4'-P energy: -16.673
tors. eta vs tors. theta energy: -18.654
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -295.184986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.184986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.184986 (E_RNA)
where:
Base-Base interactions energy: -165.622
where: short stacking energy: -78.358
Base-Backbone interact. energy: -0.081
local terms energy: -93.482165
where:
bonds (distance) C4'-P energy: -19.412
bonds (distance) P-C4' energy: -22.091
flat angles C4'-P-C4' energy: -19.511
flat angles P-C4'-P energy: -13.214
tors. eta vs tors. theta energy: -19.253
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -310.158132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.158132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.158132 (E_RNA)
where:
Base-Base interactions energy: -180.174
where: short stacking energy: -83.785
Base-Backbone interact. energy: -0.828
local terms energy: -93.155387
where:
bonds (distance) C4'-P energy: -18.189
bonds (distance) P-C4' energy: -16.051
flat angles C4'-P-C4' energy: -24.452
flat angles P-C4'-P energy: -12.259
tors. eta vs tors. theta energy: -22.204
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -288.947627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.947627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.947627 (E_RNA)
where:
Base-Base interactions energy: -159.603
where: short stacking energy: -80.405
Base-Backbone interact. energy: -1.489
local terms energy: -91.856043
where:
bonds (distance) C4'-P energy: -17.738
bonds (distance) P-C4' energy: -21.057
flat angles C4'-P-C4' energy: -21.066
flat angles P-C4'-P energy: -16.091
tors. eta vs tors. theta energy: -15.903
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -275.618661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.618661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.418661 (E_RNA)
where:
Base-Base interactions energy: -147.920
where: short stacking energy: -67.359
Base-Backbone interact. energy: -0.098
local terms energy: -93.400808
where:
bonds (distance) C4'-P energy: -22.107
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -23.971
flat angles P-C4'-P energy: -15.087
tors. eta vs tors. theta energy: -15.324
Dist. restrs. and SS energy: -34.200 (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: 4
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -300.347091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.347091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.747091 (E_RNA)
where:
Base-Base interactions energy: -169.777
where: short stacking energy: -68.084
Base-Backbone interact. energy: -1.007
local terms energy: -80.963634
where:
bonds (distance) C4'-P energy: -20.443
bonds (distance) P-C4' energy: -16.416
flat angles C4'-P-C4' energy: -20.619
flat angles P-C4'-P energy: -12.338
tors. eta vs tors. theta energy: -11.147
Dist. restrs. and SS energy: -48.600 (S_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: 59
Temperature: 1.350000
Total energy: -253.476880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.476880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.476880 (E_RNA)
where:
Base-Base interactions energy: -133.151
where: short stacking energy: -60.975
Base-Backbone interact. energy: -0.083
local terms energy: -84.243365
where:
bonds (distance) C4'-P energy: -13.308
bonds (distance) P-C4' energy: -19.405
flat angles C4'-P-C4' energy: -23.019
flat angles P-C4'-P energy: -14.895
tors. eta vs tors. theta energy: -13.616
Dist. restrs. and SS energy: -36.000 (S_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: 60
Temperature: 0.900000
Total energy: -424.227940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.227940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.827940 (E_RNA)
where:
Base-Base interactions energy: -261.516
where: short stacking energy: -93.082
Base-Backbone interact. energy: -0.837
local terms energy: -111.475387
where:
bonds (distance) C4'-P energy: -24.303
bonds (distance) P-C4' energy: -22.760
flat angles C4'-P-C4' energy: -21.505
flat angles P-C4'-P energy: -14.734
tors. eta vs tors. theta energy: -28.174
Dist. restrs. and SS energy: -50.400 (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: 60
Temperature: 0.950000
Total energy: -391.944272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.944272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.544272 (E_RNA)
where:
Base-Base interactions energy: -236.996
where: short stacking energy: -94.173
Base-Backbone interact. energy: -0.194
local terms energy: -104.355096
where:
bonds (distance) C4'-P energy: -17.615
bonds (distance) P-C4' energy: -24.058
flat angles C4'-P-C4' energy: -24.588
flat angles P-C4'-P energy: -12.659
tors. eta vs tors. theta energy: -25.435
Dist. restrs. and SS energy: -50.400 (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: 3
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -363.203648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.203648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.803648 (E_RNA)
where:
Base-Base interactions energy: -219.095
where: short stacking energy: -78.847
Base-Backbone interact. energy: 0.131
local terms energy: -93.839841
where:
bonds (distance) C4'-P energy: -19.341
bonds (distance) P-C4' energy: -25.268
flat angles C4'-P-C4' energy: -17.997
flat angles P-C4'-P energy: -15.689
tors. eta vs tors. theta energy: -15.545
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -380.271670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.271670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.871670 (E_RNA)
where:
Base-Base interactions energy: -217.061
where: short stacking energy: -92.170
Base-Backbone interact. energy: 0.063
local terms energy: -112.873821
where:
bonds (distance) C4'-P energy: -21.696
bonds (distance) P-C4' energy: -23.658
flat angles C4'-P-C4' energy: -21.674
flat angles P-C4'-P energy: -15.488
tors. eta vs tors. theta energy: -30.357
Dist. restrs. and SS energy: -50.400 (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: 6
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -337.906027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.906027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.906027 (E_RNA)
where:
Base-Base interactions energy: -203.655
where: short stacking energy: -92.299
Base-Backbone interact. energy: 0.513
local terms energy: -98.763737
where:
bonds (distance) C4'-P energy: -23.970
bonds (distance) P-C4' energy: -20.920
flat angles C4'-P-C4' energy: -21.345
flat angles P-C4'-P energy: -7.515
tors. eta vs tors. theta energy: -25.014
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -323.629670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.629670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.629670 (E_RNA)
where:
Base-Base interactions energy: -183.167
where: short stacking energy: -92.955
Base-Backbone interact. energy: -0.123
local terms energy: -104.339719
where:
bonds (distance) C4'-P energy: -23.440
bonds (distance) P-C4' energy: -20.714
flat angles C4'-P-C4' energy: -20.299
flat angles P-C4'-P energy: -18.983
tors. eta vs tors. theta energy: -20.905
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -303.091328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.091328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.091328 (E_RNA)
where:
Base-Base interactions energy: -167.938
where: short stacking energy: -79.620
Base-Backbone interact. energy: -0.082
local terms energy: -99.071609
where:
bonds (distance) C4'-P energy: -18.706
bonds (distance) P-C4' energy: -16.521
flat angles C4'-P-C4' energy: -22.294
flat angles P-C4'-P energy: -14.957
tors. eta vs tors. theta energy: -26.593
Dist. restrs. and SS energy: -36.000 (S_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: 60
Temperature: 1.250000
Total energy: -275.005006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.005006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.605006 (E_RNA)
where:
Base-Base interactions energy: -148.042
where: short stacking energy: -68.617
Base-Backbone interact. energy: -0.239
local terms energy: -94.324258
where:
bonds (distance) C4'-P energy: -19.579
bonds (distance) P-C4' energy: -22.228
flat angles C4'-P-C4' energy: -17.192
flat angles P-C4'-P energy: -14.795
tors. eta vs tors. theta energy: -20.529
Dist. restrs. and SS energy: -32.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -276.408081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.408081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.208081 (E_RNA)
where:
Base-Base interactions energy: -160.068
where: short stacking energy: -64.399
Base-Backbone interact. energy: -1.164
local terms energy: -80.976278
where:
bonds (distance) C4'-P energy: -15.284
bonds (distance) P-C4' energy: -15.161
flat angles C4'-P-C4' energy: -21.478
flat angles P-C4'-P energy: -15.621
tors. eta vs tors. theta energy: -13.432
Dist. restrs. and SS energy: -34.200 (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: 4
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -276.531416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.531416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.531416 (E_RNA)
where:
Base-Base interactions energy: -163.062
where: short stacking energy: -58.902
Base-Backbone interact. energy: -0.833
local terms energy: -67.636769
where:
bonds (distance) C4'-P energy: -14.828
bonds (distance) P-C4' energy: -18.450
flat angles C4'-P-C4' energy: -16.677
flat angles P-C4'-P energy: -11.409
tors. eta vs tors. theta energy: -6.273
Dist. restrs. and SS energy: -45.000 (S_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: 61
Temperature: 0.900000
Total energy: -418.503099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.503099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.103099 (E_RNA)
where:
Base-Base interactions energy: -254.789
where: short stacking energy: -92.708
Base-Backbone interact. energy: -0.360
local terms energy: -112.953733
where:
bonds (distance) C4'-P energy: -22.931
bonds (distance) P-C4' energy: -19.011
flat angles C4'-P-C4' energy: -26.080
flat angles P-C4'-P energy: -17.222
tors. eta vs tors. theta energy: -27.709
Dist. restrs. and SS energy: -50.400 (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: 61
Temperature: 0.950000
Total energy: -384.196170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.196170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.596170 (E_RNA)
where:
Base-Base interactions energy: -229.523
where: short stacking energy: -97.689
Base-Backbone interact. energy: -0.430
local terms energy: -105.643070
where:
bonds (distance) C4'-P energy: -20.807
bonds (distance) P-C4' energy: -22.586
flat angles C4'-P-C4' energy: -23.929
flat angles P-C4'-P energy: -12.165
tors. eta vs tors. theta energy: -26.156
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -378.868696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.868696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.468696 (E_RNA)
where:
Base-Base interactions energy: -223.911
where: short stacking energy: -90.103
Base-Backbone interact. energy: -0.279
local terms energy: -104.279300
where:
bonds (distance) C4'-P energy: -20.750
bonds (distance) P-C4' energy: -22.801
flat angles C4'-P-C4' energy: -24.656
flat angles P-C4'-P energy: -12.440
tors. eta vs tors. theta energy: -23.632
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -363.255242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.255242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.455242 (E_RNA)
where:
Base-Base interactions energy: -209.710
where: short stacking energy: -87.015
Base-Backbone interact. energy: -0.922
local terms energy: -105.823802
where:
bonds (distance) C4'-P energy: -19.018
bonds (distance) P-C4' energy: -22.507
flat angles C4'-P-C4' energy: -22.793
flat angles P-C4'-P energy: -16.971
tors. eta vs tors. theta energy: -24.534
Dist. restrs. and SS energy: -46.800 (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: 6
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -368.865713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.865713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.665713 (E_RNA)
where:
Base-Base interactions energy: -229.019
where: short stacking energy: -106.800
Base-Backbone interact. energy: -0.196
local terms energy: -105.450837
where:
bonds (distance) C4'-P energy: -23.087
bonds (distance) P-C4' energy: -17.973
flat angles C4'-P-C4' energy: -22.463
flat angles P-C4'-P energy: -14.938
tors. eta vs tors. theta energy: -26.991
Dist. restrs. and SS energy: -34.200 (S_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: 61
Temperature: 1.150000
Total energy: -298.470209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.470209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.470209 (E_RNA)
where:
Base-Base interactions energy: -172.814
where: short stacking energy: -83.270
Base-Backbone interact. energy: -0.146
local terms energy: -89.510821
where:
bonds (distance) C4'-P energy: -17.516
bonds (distance) P-C4' energy: -21.256
flat angles C4'-P-C4' energy: -16.428
flat angles P-C4'-P energy: -13.006
tors. eta vs tors. theta energy: -21.304
Dist. restrs. and SS energy: -36.000 (S_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: 61
Temperature: 1.200000
Total energy: -300.045701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.045701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.045701 (E_RNA)
where:
Base-Base interactions energy: -166.250
where: short stacking energy: -82.144
Base-Backbone interact. energy: -0.183
local terms energy: -97.612814
where:
bonds (distance) C4'-P energy: -22.921
bonds (distance) P-C4' energy: -18.769
flat angles C4'-P-C4' energy: -21.152
flat angles P-C4'-P energy: -15.857
tors. eta vs tors. theta energy: -18.913
Dist. restrs. and SS energy: -36.000 (S_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: 61
Temperature: 1.250000
Total energy: -276.691255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.691255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.691255 (E_RNA)
where:
Base-Base interactions energy: -158.311
where: short stacking energy: -70.766
Base-Backbone interact. energy: 0.174
local terms energy: -82.554491
where:
bonds (distance) C4'-P energy: -13.781
bonds (distance) P-C4' energy: -17.605
flat angles C4'-P-C4' energy: -21.223
flat angles P-C4'-P energy: -12.451
tors. eta vs tors. theta energy: -17.495
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -273.486504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.486504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.486504 (E_RNA)
where:
Base-Base interactions energy: -161.208
where: short stacking energy: -69.304
Base-Backbone interact. energy: -0.353
local terms energy: -75.925753
where:
bonds (distance) C4'-P energy: -12.703
bonds (distance) P-C4' energy: -15.820
flat angles C4'-P-C4' energy: -20.203
flat angles P-C4'-P energy: -14.572
tors. eta vs tors. theta energy: -12.627
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -250.208354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.208354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.208354 (E_RNA)
where:
Base-Base interactions energy: -136.408
where: short stacking energy: -54.311
Base-Backbone interact. energy: -0.407
local terms energy: -77.394069
where:
bonds (distance) C4'-P energy: -18.721
bonds (distance) P-C4' energy: -23.309
flat angles C4'-P-C4' energy: -18.448
flat angles P-C4'-P energy: -11.741
tors. eta vs tors. theta energy: -5.174
Dist. restrs. and SS energy: -36.000 (S_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: 62
Temperature: 0.900000
Total energy: -422.370058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.370058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.770058 (E_RNA)
where:
Base-Base interactions energy: -261.545
where: short stacking energy: -101.936
Base-Backbone interact. energy: -0.893
local terms energy: -111.332443
where:
bonds (distance) C4'-P energy: -20.031
bonds (distance) P-C4' energy: -22.048
flat angles C4'-P-C4' energy: -26.737
flat angles P-C4'-P energy: -12.888
tors. eta vs tors. theta energy: -29.629
Dist. restrs. and SS energy: -48.600 (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: 9
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -382.514313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.514313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.114313 (E_RNA)
where:
Base-Base interactions energy: -226.264
where: short stacking energy: -97.442
Base-Backbone interact. energy: -0.496
local terms energy: -105.354702
where:
bonds (distance) C4'-P energy: -23.563
bonds (distance) P-C4' energy: -18.815
flat angles C4'-P-C4' energy: -22.525
flat angles P-C4'-P energy: -14.571
tors. eta vs tors. theta energy: -25.881
Dist. restrs. and SS energy: -50.400 (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: 62
Temperature: 1.000000
Total energy: -392.998757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.998757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.598757 (E_RNA)
where:
Base-Base interactions energy: -231.458
where: short stacking energy: -81.561
Base-Backbone interact. energy: -1.045
local terms energy: -110.094966
where:
bonds (distance) C4'-P energy: -20.244
bonds (distance) P-C4' energy: -25.051
flat angles C4'-P-C4' energy: -24.312
flat angles P-C4'-P energy: -15.731
tors. eta vs tors. theta energy: -24.758
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -369.917243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.917243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.517243 (E_RNA)
where:
Base-Base interactions energy: -216.699
where: short stacking energy: -82.146
Base-Backbone interact. energy: -0.200
local terms energy: -102.618395
where:
bonds (distance) C4'-P energy: -18.521
bonds (distance) P-C4' energy: -20.233
flat angles C4'-P-C4' energy: -21.816
flat angles P-C4'-P energy: -18.056
tors. eta vs tors. theta energy: -23.991
Dist. restrs. and SS energy: -50.400 (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: 6
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -348.853768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.853768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.853768 (E_RNA)
where:
Base-Base interactions energy: -214.795
where: short stacking energy: -96.133
Base-Backbone interact. energy: -0.029
local terms energy: -98.029784
where:
bonds (distance) C4'-P energy: -20.582
bonds (distance) P-C4' energy: -18.747
flat angles C4'-P-C4' energy: -20.154
flat angles P-C4'-P energy: -11.768
tors. eta vs tors. theta energy: -26.780
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -297.714795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.714795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.714795 (E_RNA)
where:
Base-Base interactions energy: -160.923
where: short stacking energy: -77.020
Base-Backbone interact. energy: -0.104
local terms energy: -100.687944
where:
bonds (distance) C4'-P energy: -18.521
bonds (distance) P-C4' energy: -24.362
flat angles C4'-P-C4' energy: -23.113
flat angles P-C4'-P energy: -14.908
tors. eta vs tors. theta energy: -19.784
Dist. restrs. and SS energy: -36.000 (S_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: 62
Temperature: 1.200000
Total energy: -286.471707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.471707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.471707 (E_RNA)
where:
Base-Base interactions energy: -150.624
where: short stacking energy: -69.978
Base-Backbone interact. energy: 1.090
local terms energy: -100.938311
where:
bonds (distance) C4'-P energy: -24.728
bonds (distance) P-C4' energy: -27.380
flat angles C4'-P-C4' energy: -20.404
flat angles P-C4'-P energy: -15.000
tors. eta vs tors. theta energy: -13.426
Dist. restrs. and SS energy: -36.000 (S_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: 62
Temperature: 1.250000
Total energy: -291.718157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.718157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.718157 (E_RNA)
where:
Base-Base interactions energy: -155.052
where: short stacking energy: -70.279
Base-Backbone interact. energy: -0.351
local terms energy: -100.315615
where:
bonds (distance) C4'-P energy: -24.569
bonds (distance) P-C4' energy: -18.407
flat angles C4'-P-C4' energy: -20.802
flat angles P-C4'-P energy: -15.625
tors. eta vs tors. theta energy: -20.912
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -276.317911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.317911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.117911 (E_RNA)
where:
Base-Base interactions energy: -146.159
where: short stacking energy: -59.706
Base-Backbone interact. energy: -1.254
local terms energy: -94.705025
where:
bonds (distance) C4'-P energy: -23.103
bonds (distance) P-C4' energy: -24.586
flat angles C4'-P-C4' energy: -19.848
flat angles P-C4'-P energy: -15.365
tors. eta vs tors. theta energy: -11.803
Dist. restrs. and SS energy: -34.200 (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: 2
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -245.657032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.657032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.657032 (E_RNA)
where:
Base-Base interactions energy: -125.847
where: short stacking energy: -59.225
Base-Backbone interact. energy: 0.828
local terms energy: -84.637935
where:
bonds (distance) C4'-P energy: -17.056
bonds (distance) P-C4' energy: -21.375
flat angles C4'-P-C4' energy: -22.673
flat angles P-C4'-P energy: -14.906
tors. eta vs tors. theta energy: -8.628
Dist. restrs. and SS energy: -36.000 (S_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: 63
Temperature: 0.900000
Total energy: -416.420526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.420526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.020526 (E_RNA)
where:
Base-Base interactions energy: -246.086
where: short stacking energy: -100.937
Base-Backbone interact. energy: -0.803
local terms energy: -119.131208
where:
bonds (distance) C4'-P energy: -22.602
bonds (distance) P-C4' energy: -26.136
flat angles C4'-P-C4' energy: -23.134
flat angles P-C4'-P energy: -15.315
tors. eta vs tors. theta energy: -31.945
Dist. restrs. and SS energy: -50.400 (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: 8
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -401.315307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.315307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.915307 (E_RNA)
where:
Base-Base interactions energy: -244.364
where: short stacking energy: -96.098
Base-Backbone interact. energy: -0.762
local terms energy: -105.789357
where:
bonds (distance) C4'-P energy: -18.495
bonds (distance) P-C4' energy: -20.727
flat angles C4'-P-C4' energy: -16.977
flat angles P-C4'-P energy: -18.880
tors. eta vs tors. theta energy: -30.711
Dist. restrs. and SS energy: -50.400 (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: 9
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -381.990465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.990465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.590465 (E_RNA)
where:
Base-Base interactions energy: -218.702
where: short stacking energy: -97.030
Base-Backbone interact. energy: -0.473
local terms energy: -112.415441
where:
bonds (distance) C4'-P energy: -18.326
bonds (distance) P-C4' energy: -25.453
flat angles C4'-P-C4' energy: -22.102
flat angles P-C4'-P energy: -19.779
tors. eta vs tors. theta energy: -26.755
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -353.894978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.894978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.694978 (E_RNA)
where:
Base-Base interactions energy: -214.811
where: short stacking energy: -98.979
Base-Backbone interact. energy: -0.075
local terms energy: -104.808338
where:
bonds (distance) C4'-P energy: -16.437
bonds (distance) P-C4' energy: -22.848
flat angles C4'-P-C4' energy: -24.572
flat angles P-C4'-P energy: -11.644
tors. eta vs tors. theta energy: -29.307
Dist. restrs. and SS energy: -34.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -357.520911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.520911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.120911 (E_RNA)
where:
Base-Base interactions energy: -209.829
where: short stacking energy: -78.745
Base-Backbone interact. energy: -1.042
local terms energy: -96.249913
where:
bonds (distance) C4'-P energy: -21.805
bonds (distance) P-C4' energy: -20.343
flat angles C4'-P-C4' energy: -18.867
flat angles P-C4'-P energy: -14.597
tors. eta vs tors. theta energy: -20.639
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -294.508342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.508342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.508342 (E_RNA)
where:
Base-Base interactions energy: -154.356
where: short stacking energy: -68.192
Base-Backbone interact. energy: -0.277
local terms energy: -103.875082
where:
bonds (distance) C4'-P energy: -25.100
bonds (distance) P-C4' energy: -21.781
flat angles C4'-P-C4' energy: -20.236
flat angles P-C4'-P energy: -17.140
tors. eta vs tors. theta energy: -19.618
Dist. restrs. and SS energy: -36.000 (S_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: 63
Temperature: 1.200000
Total energy: -301.970330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.970330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.970330 (E_RNA)
where:
Base-Base interactions energy: -171.819
where: short stacking energy: -85.493
Base-Backbone interact. energy: -0.464
local terms energy: -93.687787
where:
bonds (distance) C4'-P energy: -17.211
bonds (distance) P-C4' energy: -16.494
flat angles C4'-P-C4' energy: -20.323
flat angles P-C4'-P energy: -18.495
tors. eta vs tors. theta energy: -21.164
Dist. restrs. and SS energy: -36.000 (S_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: 63
Temperature: 1.250000
Total energy: -284.134955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.134955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.734955 (E_RNA)
where:
Base-Base interactions energy: -159.622
where: short stacking energy: -69.913
Base-Backbone interact. energy: -0.192
local terms energy: -91.921097
where:
bonds (distance) C4'-P energy: -20.550
bonds (distance) P-C4' energy: -20.133
flat angles C4'-P-C4' energy: -23.830
flat angles P-C4'-P energy: -13.090
tors. eta vs tors. theta energy: -14.318
Dist. restrs. and SS energy: -32.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -266.127974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.127974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.127974 (E_RNA)
where:
Base-Base interactions energy: -146.191
where: short stacking energy: -69.142
Base-Backbone interact. energy: 3.275
local terms energy: -87.211680
where:
bonds (distance) C4'-P energy: -18.542
bonds (distance) P-C4' energy: -15.260
flat angles C4'-P-C4' energy: -19.180
flat angles P-C4'-P energy: -21.073
tors. eta vs tors. theta energy: -13.157
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -244.737957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.737957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.737957 (E_RNA)
where:
Base-Base interactions energy: -116.935
where: short stacking energy: -51.296
Base-Backbone interact. energy: -0.464
local terms energy: -91.338935
where:
bonds (distance) C4'-P energy: -19.919
bonds (distance) P-C4' energy: -18.786
flat angles C4'-P-C4' energy: -21.561
flat angles P-C4'-P energy: -19.081
tors. eta vs tors. theta energy: -11.992
Dist. restrs. and SS energy: -36.000 (S_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: 64
Temperature: 0.900000
Total energy: -417.745908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.745908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.345908 (E_RNA)
where:
Base-Base interactions energy: -258.292
where: short stacking energy: -99.094
Base-Backbone interact. energy: -0.960
local terms energy: -108.094607
where:
bonds (distance) C4'-P energy: -21.366
bonds (distance) P-C4' energy: -24.289
flat angles C4'-P-C4' energy: -20.813
flat angles P-C4'-P energy: -16.758
tors. eta vs tors. theta energy: -24.869
Dist. restrs. and SS energy: -50.400 (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: 8
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -404.212288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.212288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.812288 (E_RNA)
where:
Base-Base interactions energy: -247.237
where: short stacking energy: -94.511
Base-Backbone interact. energy: -0.262
local terms energy: -106.313749
where:
bonds (distance) C4'-P energy: -19.953
bonds (distance) P-C4' energy: -20.944
flat angles C4'-P-C4' energy: -18.692
flat angles P-C4'-P energy: -18.631
tors. eta vs tors. theta energy: -28.093
Dist. restrs. and SS energy: -50.400 (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: 9
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -388.763472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.763472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.363472 (E_RNA)
where:
Base-Base interactions energy: -225.851
where: short stacking energy: -93.165
Base-Backbone interact. energy: -0.198
local terms energy: -112.314197
where:
bonds (distance) C4'-P energy: -26.822
bonds (distance) P-C4' energy: -21.113
flat angles C4'-P-C4' energy: -23.703
flat angles P-C4'-P energy: -14.647
tors. eta vs tors. theta energy: -26.029
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -355.350259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.350259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.350259 (E_RNA)
where:
Base-Base interactions energy: -229.679
where: short stacking energy: -87.934
Base-Backbone interact. energy: -0.150
local terms energy: -89.521708
where:
bonds (distance) C4'-P energy: -13.626
bonds (distance) P-C4' energy: -18.355
flat angles C4'-P-C4' energy: -21.952
flat angles P-C4'-P energy: -10.939
tors. eta vs tors. theta energy: -24.650
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -361.780673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.780673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.180673 (E_RNA)
where:
Base-Base interactions energy: -221.817
where: short stacking energy: -89.325
Base-Backbone interact. energy: -0.069
local terms energy: -91.294313
where:
bonds (distance) C4'-P energy: -18.252
bonds (distance) P-C4' energy: -16.680
flat angles C4'-P-C4' energy: -19.632
flat angles P-C4'-P energy: -17.888
tors. eta vs tors. theta energy: -18.843
Dist. restrs. and SS energy: -48.600 (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: 5
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -288.247827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.247827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.247827 (E_RNA)
where:
Base-Base interactions energy: -155.830
where: short stacking energy: -71.506
Base-Backbone interact. energy: 0.551
local terms energy: -96.969052
where:
bonds (distance) C4'-P energy: -24.931
bonds (distance) P-C4' energy: -18.133
flat angles C4'-P-C4' energy: -22.103
flat angles P-C4'-P energy: -15.746
tors. eta vs tors. theta energy: -16.056
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -280.979367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.979367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.979367 (E_RNA)
where:
Base-Base interactions energy: -155.638
where: short stacking energy: -59.795
Base-Backbone interact. energy: 2.039
local terms energy: -91.379516
where:
bonds (distance) C4'-P energy: -21.018
bonds (distance) P-C4' energy: -22.931
flat angles C4'-P-C4' energy: -19.632
flat angles P-C4'-P energy: -17.179
tors. eta vs tors. theta energy: -10.621
Dist. restrs. and SS energy: -36.000 (S_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: 64
Temperature: 1.250000
Total energy: -270.139873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.139873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.939873 (E_RNA)
where:
Base-Base interactions energy: -161.469
where: short stacking energy: -74.725
Base-Backbone interact. energy: 3.635
local terms energy: -78.106565
where:
bonds (distance) C4'-P energy: -14.626
bonds (distance) P-C4' energy: -13.458
flat angles C4'-P-C4' energy: -20.463
flat angles P-C4'-P energy: -8.587
tors. eta vs tors. theta energy: -20.972
Dist. restrs. and SS energy: -34.200 (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: 7
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -278.862062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.862062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.862062 (E_RNA)
where:
Base-Base interactions energy: -155.431
where: short stacking energy: -65.222
Base-Backbone interact. energy: -1.554
local terms energy: -85.877209
where:
bonds (distance) C4'-P energy: -21.746
bonds (distance) P-C4' energy: -18.545
flat angles C4'-P-C4' energy: -22.065
flat angles P-C4'-P energy: -7.577
tors. eta vs tors. theta energy: -15.944
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -260.297870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.297870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.897870 (E_RNA)
where:
Base-Base interactions energy: -146.370
where: short stacking energy: -63.019
Base-Backbone interact. energy: -0.283
local terms energy: -81.244877
where:
bonds (distance) C4'-P energy: -12.028
bonds (distance) P-C4' energy: -21.198
flat angles C4'-P-C4' energy: -18.772
flat angles P-C4'-P energy: -18.999
tors. eta vs tors. theta energy: -10.247
Dist. restrs. and SS energy: -32.400 (S_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: 65
Temperature: 0.900000
Total energy: -406.109105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.109105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.709105 (E_RNA)
where:
Base-Base interactions energy: -247.452
where: short stacking energy: -101.771
Base-Backbone interact. energy: 0.649
local terms energy: -108.905437
where:
bonds (distance) C4'-P energy: -22.004
bonds (distance) P-C4' energy: -21.950
flat angles C4'-P-C4' energy: -23.064
flat angles P-C4'-P energy: -15.547
tors. eta vs tors. theta energy: -26.341
Dist. restrs. and SS energy: -50.400 (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: 65
Temperature: 0.950000
Total energy: -379.976678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.976678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.576678 (E_RNA)
where:
Base-Base interactions energy: -221.893
where: short stacking energy: -90.316
Base-Backbone interact. energy: -0.469
local terms energy: -107.214700
where:
bonds (distance) C4'-P energy: -22.087
bonds (distance) P-C4' energy: -19.569
flat angles C4'-P-C4' energy: -24.274
flat angles P-C4'-P energy: -15.920
tors. eta vs tors. theta energy: -25.365
Dist. restrs. and SS energy: -50.400 (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: 65
Temperature: 1.000000
Total energy: -390.730068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.730068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.130068 (E_RNA)
where:
Base-Base interactions energy: -238.097
where: short stacking energy: -95.637
Base-Backbone interact. energy: 0.120
local terms energy: -104.153265
where:
bonds (distance) C4'-P energy: -18.984
bonds (distance) P-C4' energy: -20.856
flat angles C4'-P-C4' energy: -17.964
flat angles P-C4'-P energy: -16.176
tors. eta vs tors. theta energy: -30.173
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -353.271720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.271720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.271720 (E_RNA)
where:
Base-Base interactions energy: -215.794
where: short stacking energy: -85.612
Base-Backbone interact. energy: -0.235
local terms energy: -101.242564
where:
bonds (distance) C4'-P energy: -16.587
bonds (distance) P-C4' energy: -22.094
flat angles C4'-P-C4' energy: -21.313
flat angles P-C4'-P energy: -16.869
tors. eta vs tors. theta energy: -24.380
Dist. restrs. and SS energy: -36.000 (S_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: 65
Temperature: 1.100000
Total energy: -382.528000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.528000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.128000 (E_RNA)
where:
Base-Base interactions energy: -223.341
where: short stacking energy: -84.177
Base-Backbone interact. energy: 0.760
local terms energy: -109.546554
where:
bonds (distance) C4'-P energy: -20.962
bonds (distance) P-C4' energy: -20.297
flat angles C4'-P-C4' energy: -26.537
flat angles P-C4'-P energy: -15.319
tors. eta vs tors. theta energy: -26.433
Dist. restrs. and SS energy: -50.400 (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: 4
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -295.045435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.045435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.045435 (E_RNA)
where:
Base-Base interactions energy: -159.635
where: short stacking energy: -82.653
Base-Backbone interact. energy: -0.373
local terms energy: -99.037189
where:
bonds (distance) C4'-P energy: -18.347
bonds (distance) P-C4' energy: -24.691
flat angles C4'-P-C4' energy: -23.533
flat angles P-C4'-P energy: -15.715
tors. eta vs tors. theta energy: -16.751
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -278.062056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.062056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.062056 (E_RNA)
where:
Base-Base interactions energy: -150.616
where: short stacking energy: -68.077
Base-Backbone interact. energy: -0.183
local terms energy: -91.262982
where:
bonds (distance) C4'-P energy: -21.656
bonds (distance) P-C4' energy: -17.385
flat angles C4'-P-C4' energy: -20.954
flat angles P-C4'-P energy: -17.158
tors. eta vs tors. theta energy: -14.110
Dist. restrs. and SS energy: -36.000 (S_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: 65
Temperature: 1.250000
Total energy: -272.229491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.229491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.029491 (E_RNA)
where:
Base-Base interactions energy: -145.618
where: short stacking energy: -59.963
Base-Backbone interact. energy: -0.518
local terms energy: -91.893106
where:
bonds (distance) C4'-P energy: -24.720
bonds (distance) P-C4' energy: -21.864
flat angles C4'-P-C4' energy: -22.563
flat angles P-C4'-P energy: -14.608
tors. eta vs tors. theta energy: -8.140
Dist. restrs. and SS energy: -34.200 (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: 7
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -276.308512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.308512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.108512 (E_RNA)
where:
Base-Base interactions energy: -151.334
where: short stacking energy: -69.258
Base-Backbone interact. energy: -0.145
local terms energy: -90.629057
where:
bonds (distance) C4'-P energy: -20.409
bonds (distance) P-C4' energy: -18.943
flat angles C4'-P-C4' energy: -23.497
flat angles P-C4'-P energy: -11.451
tors. eta vs tors. theta energy: -16.330
Dist. restrs. and SS energy: -34.200 (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: 2
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -244.873105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.873105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.873105 (E_RNA)
where:
Base-Base interactions energy: -133.198
where: short stacking energy: -51.790
Base-Backbone interact. energy: -0.422
local terms energy: -75.252882
where:
bonds (distance) C4'-P energy: -22.453
bonds (distance) P-C4' energy: -17.675
flat angles C4'-P-C4' energy: -17.835
flat angles P-C4'-P energy: -10.149
tors. eta vs tors. theta energy: -7.142
Dist. restrs. and SS energy: -36.000 (S_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: 66
Temperature: 0.900000
Total energy: -406.226208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.226208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.826208 (E_RNA)
where:
Base-Base interactions energy: -244.166
where: short stacking energy: -92.050
Base-Backbone interact. energy: -0.626
local terms energy: -111.033846
where:
bonds (distance) C4'-P energy: -25.596
bonds (distance) P-C4' energy: -24.602
flat angles C4'-P-C4' energy: -23.905
flat angles P-C4'-P energy: -13.951
tors. eta vs tors. theta energy: -22.980
Dist. restrs. and SS energy: -50.400 (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: 66
Temperature: 0.950000
Total energy: -391.357984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.357984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.957984 (E_RNA)
where:
Base-Base interactions energy: -228.845
where: short stacking energy: -93.663
Base-Backbone interact. energy: -0.330
local terms energy: -111.782609
where:
bonds (distance) C4'-P energy: -26.106
bonds (distance) P-C4' energy: -21.654
flat angles C4'-P-C4' energy: -23.336
flat angles P-C4'-P energy: -14.587
tors. eta vs tors. theta energy: -26.099
Dist. restrs. and SS energy: -50.400 (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: 66
Temperature: 1.000000
Total energy: -405.392813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.392813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.792813 (E_RNA)
where:
Base-Base interactions energy: -238.470
where: short stacking energy: -99.844
Base-Backbone interact. energy: -1.120
local terms energy: -117.202549
where:
bonds (distance) C4'-P energy: -23.815
bonds (distance) P-C4' energy: -24.211
flat angles C4'-P-C4' energy: -23.560
flat angles P-C4'-P energy: -18.763
tors. eta vs tors. theta energy: -26.854
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -349.792650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.792650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.792650 (E_RNA)
where:
Base-Base interactions energy: -209.737
where: short stacking energy: -73.327
Base-Backbone interact. energy: -0.241
local terms energy: -103.814805
where:
bonds (distance) C4'-P energy: -23.151
bonds (distance) P-C4' energy: -23.901
flat angles C4'-P-C4' energy: -22.891
flat angles P-C4'-P energy: -13.678
tors. eta vs tors. theta energy: -20.194
Dist. restrs. and SS energy: -36.000 (S_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: 66
Temperature: 1.100000
Total energy: -371.316743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.316743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.716743 (E_RNA)
where:
Base-Base interactions energy: -225.241
where: short stacking energy: -83.599
Base-Backbone interact. energy: -0.158
local terms energy: -97.317989
where:
bonds (distance) C4'-P energy: -21.170
bonds (distance) P-C4' energy: -17.638
flat angles C4'-P-C4' energy: -21.384
flat angles P-C4'-P energy: -15.700
tors. eta vs tors. theta energy: -21.425
Dist. restrs. and SS energy: -48.600 (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: 4
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -293.180157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.180157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.180157 (E_RNA)
where:
Base-Base interactions energy: -162.219
where: short stacking energy: -76.071
Base-Backbone interact. energy: -0.110
local terms energy: -94.851256
where:
bonds (distance) C4'-P energy: -22.464
bonds (distance) P-C4' energy: -17.116
flat angles C4'-P-C4' energy: -24.377
flat angles P-C4'-P energy: -11.175
tors. eta vs tors. theta energy: -19.719
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. 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: -310.040411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.040411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.040411 (E_RNA)
where:
Base-Base interactions energy: -173.466
where: short stacking energy: -95.799
Base-Backbone interact. energy: 0.495
local terms energy: -101.069732
where:
bonds (distance) C4'-P energy: -18.028
bonds (distance) P-C4' energy: -20.642
flat angles C4'-P-C4' energy: -18.809
flat angles P-C4'-P energy: -13.038
tors. eta vs tors. theta energy: -30.553
Dist. restrs. and SS energy: -36.000 (S_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: 66
Temperature: 1.250000
Total energy: -282.143263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.143263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.143263 (E_RNA)
where:
Base-Base interactions energy: -159.778
where: short stacking energy: -66.829
Base-Backbone interact. energy: -0.128
local terms energy: -86.237239
where:
bonds (distance) C4'-P energy: -12.381
bonds (distance) P-C4' energy: -23.549
flat angles C4'-P-C4' energy: -19.148
flat angles P-C4'-P energy: -15.085
tors. eta vs tors. theta energy: -16.073
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -266.691106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.691106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.491106 (E_RNA)
where:
Base-Base interactions energy: -133.385
where: short stacking energy: -50.966
Base-Backbone interact. energy: -0.370
local terms energy: -98.736367
where:
bonds (distance) C4'-P energy: -21.104
bonds (distance) P-C4' energy: -24.506
flat angles C4'-P-C4' energy: -21.909
flat angles P-C4'-P energy: -16.264
tors. eta vs tors. theta energy: -14.954
Dist. restrs. and SS energy: -34.200 (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: 66
Temperature: 1.350000
Total energy: -262.887933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.887933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.287933 (E_RNA)
where:
Base-Base interactions energy: -145.510
where: short stacking energy: -58.038
Base-Backbone interact. energy: 0.777
local terms energy: -87.554371
where:
bonds (distance) C4'-P energy: -18.198
bonds (distance) P-C4' energy: -26.404
flat angles C4'-P-C4' energy: -17.643
flat angles P-C4'-P energy: -16.769
tors. eta vs tors. theta energy: -8.541
Dist. restrs. and SS energy: -30.600 (S_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: 67
Temperature: 0.900000
Total energy: -414.572108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.572108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.172108 (E_RNA)
where:
Base-Base interactions energy: -244.685
where: short stacking energy: -105.461
Base-Backbone interact. energy: -1.110
local terms energy: -118.377643
where:
bonds (distance) C4'-P energy: -21.667
bonds (distance) P-C4' energy: -24.716
flat angles C4'-P-C4' energy: -23.312
flat angles P-C4'-P energy: -18.720
tors. eta vs tors. theta energy: -29.961
Dist. restrs. and SS energy: -50.400 (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: 8
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -406.350097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.350097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.950097 (E_RNA)
where:
Base-Base interactions energy: -240.072
where: short stacking energy: -97.925
Base-Backbone interact. energy: -1.194
local terms energy: -114.684499
where:
bonds (distance) C4'-P energy: -22.184
bonds (distance) P-C4' energy: -22.419
flat angles C4'-P-C4' energy: -23.586
flat angles P-C4'-P energy: -18.625
tors. eta vs tors. theta energy: -27.869
Dist. restrs. and SS energy: -50.400 (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: 9
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -385.247801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.247801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.847801 (E_RNA)
where:
Base-Base interactions energy: -229.042
where: short stacking energy: -92.938
Base-Backbone interact. energy: -0.443
local terms energy: -105.362318
where:
bonds (distance) C4'-P energy: -22.446
bonds (distance) P-C4' energy: -25.149
flat angles C4'-P-C4' energy: -19.340
flat angles P-C4'-P energy: -16.706
tors. eta vs tors. theta energy: -21.721
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -387.988107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.988107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.588107 (E_RNA)
where:
Base-Base interactions energy: -228.939
where: short stacking energy: -90.435
Base-Backbone interact. energy: -0.533
local terms energy: -108.116192
where:
bonds (distance) C4'-P energy: -21.720
bonds (distance) P-C4' energy: -23.503
flat angles C4'-P-C4' energy: -24.904
flat angles P-C4'-P energy: -14.217
tors. eta vs tors. theta energy: -23.772
Dist. restrs. and SS energy: -50.400 (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: 6
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -355.986800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.986800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.786800 (E_RNA)
where:
Base-Base interactions energy: -212.438
where: short stacking energy: -87.329
Base-Backbone interact. energy: 2.325
local terms energy: -111.674033
where:
bonds (distance) C4'-P energy: -21.384
bonds (distance) P-C4' energy: -23.089
flat angles C4'-P-C4' energy: -24.760
flat angles P-C4'-P energy: -18.046
tors. eta vs tors. theta energy: -24.396
Dist. restrs. and SS energy: -34.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -288.381872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.381872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.381872 (E_RNA)
where:
Base-Base interactions energy: -157.271
where: short stacking energy: -80.881
Base-Backbone interact. energy: -1.144
local terms energy: -93.967623
where:
bonds (distance) C4'-P energy: -19.474
bonds (distance) P-C4' energy: -20.941
flat angles C4'-P-C4' energy: -22.862
flat angles P-C4'-P energy: -12.723
tors. eta vs tors. theta energy: -17.967
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -279.510807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.510807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.510807 (E_RNA)
where:
Base-Base interactions energy: -140.008
where: short stacking energy: -63.686
Base-Backbone interact. energy: -0.325
local terms energy: -103.177625
where:
bonds (distance) C4'-P energy: -25.104
bonds (distance) P-C4' energy: -21.723
flat angles C4'-P-C4' energy: -26.739
flat angles P-C4'-P energy: -14.252
tors. eta vs tors. theta energy: -15.359
Dist. restrs. and SS energy: -36.000 (S_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: 67
Temperature: 1.250000
Total energy: -283.821934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.821934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.821934 (E_RNA)
where:
Base-Base interactions energy: -156.160
where: short stacking energy: -68.296
Base-Backbone interact. energy: -0.068
local terms energy: -91.593427
where:
bonds (distance) C4'-P energy: -21.128
bonds (distance) P-C4' energy: -21.753
flat angles C4'-P-C4' energy: -21.117
flat angles P-C4'-P energy: -9.893
tors. eta vs tors. theta energy: -17.702
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -252.516001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.516001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.316001 (E_RNA)
where:
Base-Base interactions energy: -138.664
where: short stacking energy: -61.531
Base-Backbone interact. energy: -0.407
local terms energy: -79.245414
where:
bonds (distance) C4'-P energy: -9.884
bonds (distance) P-C4' energy: -25.170
flat angles C4'-P-C4' energy: -21.505
flat angles P-C4'-P energy: -17.248
tors. eta vs tors. theta energy: -5.438
Dist. restrs. and SS energy: -34.200 (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: 67
Temperature: 1.350000
Total energy: -262.389817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.389817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.189817 (E_RNA)
where:
Base-Base interactions energy: -148.434
where: short stacking energy: -68.040
Base-Backbone interact. energy: -0.365
local terms energy: -79.391186
where:
bonds (distance) C4'-P energy: -14.755
bonds (distance) P-C4' energy: -17.841
flat angles C4'-P-C4' energy: -20.992
flat angles P-C4'-P energy: -10.111
tors. eta vs tors. theta energy: -15.692
Dist. restrs. and SS energy: -34.200 (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: 10
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -417.273218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.273218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.873218 (E_RNA)
where:
Base-Base interactions energy: -259.577
where: short stacking energy: -105.998
Base-Backbone interact. energy: -0.188
local terms energy: -107.108611
where:
bonds (distance) C4'-P energy: -24.102
bonds (distance) P-C4' energy: -22.965
flat angles C4'-P-C4' energy: -20.228
flat angles P-C4'-P energy: -13.808
tors. eta vs tors. theta energy: -26.005
Dist. restrs. and SS energy: -50.400 (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: 8
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -407.573245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.573245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.173245 (E_RNA)
where:
Base-Base interactions energy: -252.933
where: short stacking energy: -97.938
Base-Backbone interact. energy: -0.987
local terms energy: -103.254028
where:
bonds (distance) C4'-P energy: -23.563
bonds (distance) P-C4' energy: -24.679
flat angles C4'-P-C4' energy: -21.409
flat angles P-C4'-P energy: -12.277
tors. eta vs tors. theta energy: -21.326
Dist. restrs. and SS energy: -50.400 (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: 3
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -389.159552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.159552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.559552 (E_RNA)
where:
Base-Base interactions energy: -231.212
where: short stacking energy: -92.462
Base-Backbone interact. energy: -0.435
local terms energy: -108.913016
where:
bonds (distance) C4'-P energy: -19.930
bonds (distance) P-C4' energy: -21.286
flat angles C4'-P-C4' energy: -25.451
flat angles P-C4'-P energy: -13.175
tors. eta vs tors. theta energy: -29.071
Dist. restrs. and SS energy: -48.600 (S_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: -387.434997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.434997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.034997 (E_RNA)
where:
Base-Base interactions energy: -231.747
where: short stacking energy: -94.998
Base-Backbone interact. energy: -1.997
local terms energy: -103.291037
where:
bonds (distance) C4'-P energy: -24.685
bonds (distance) P-C4' energy: -18.879
flat angles C4'-P-C4' energy: -19.399
flat angles P-C4'-P energy: -13.085
tors. eta vs tors. theta energy: -27.243
Dist. restrs. and SS energy: -50.400 (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: 6
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -346.447910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.447910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.447910 (E_RNA)
where:
Base-Base interactions energy: -205.034
where: short stacking energy: -91.889
Base-Backbone interact. energy: -1.012
local terms energy: -104.401827
where:
bonds (distance) C4'-P energy: -15.414
bonds (distance) P-C4' energy: -21.182
flat angles C4'-P-C4' energy: -25.326
flat angles P-C4'-P energy: -19.112
tors. eta vs tors. theta energy: -23.367
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -298.749041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.749041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.549041 (E_RNA)
where:
Base-Base interactions energy: -168.971
where: short stacking energy: -75.317
Base-Backbone interact. energy: -0.237
local terms energy: -95.340271
where:
bonds (distance) C4'-P energy: -15.478
bonds (distance) P-C4' energy: -23.071
flat angles C4'-P-C4' energy: -23.805
flat angles P-C4'-P energy: -11.238
tors. eta vs tors. theta energy: -21.749
Dist. restrs. and SS energy: -34.200 (S_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: 68
Temperature: 1.200000
Total energy: -274.770536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.770536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.770536 (E_RNA)
where:
Base-Base interactions energy: -160.267
where: short stacking energy: -71.810
Base-Backbone interact. energy: -0.152
local terms energy: -78.351580
where:
bonds (distance) C4'-P energy: -14.792
bonds (distance) P-C4' energy: -8.891
flat angles C4'-P-C4' energy: -16.832
flat angles P-C4'-P energy: -20.449
tors. eta vs tors. theta energy: -17.387
Dist. restrs. and SS energy: -36.000 (S_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: 68
Temperature: 1.250000
Total energy: -283.494666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.494666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.494666 (E_RNA)
where:
Base-Base interactions energy: -153.901
where: short stacking energy: -63.524
Base-Backbone interact. energy: -0.487
local terms energy: -93.106780
where:
bonds (distance) C4'-P energy: -21.810
bonds (distance) P-C4' energy: -17.863
flat angles C4'-P-C4' energy: -18.046
flat angles P-C4'-P energy: -13.870
tors. eta vs tors. theta energy: -21.517
Dist. restrs. and SS energy: -36.000 (S_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: -276.447736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.447736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.447736 (E_RNA)
where:
Base-Base interactions energy: -168.748
where: short stacking energy: -81.601
Base-Backbone interact. energy: -0.515
local terms energy: -71.184343
where:
bonds (distance) C4'-P energy: -12.463
bonds (distance) P-C4' energy: -12.195
flat angles C4'-P-C4' energy: -18.850
flat angles P-C4'-P energy: -8.063
tors. eta vs tors. theta energy: -19.614
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -247.807352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.807352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.807352 (E_RNA)
where:
Base-Base interactions energy: -144.888
where: short stacking energy: -71.217
Base-Backbone interact. energy: 1.048
local terms energy: -67.966945
where:
bonds (distance) C4'-P energy: -10.663
bonds (distance) P-C4' energy: -21.619
flat angles C4'-P-C4' energy: -20.879
flat angles P-C4'-P energy: -7.535
tors. eta vs tors. theta energy: -7.271
Dist. restrs. and SS energy: -36.000 (S_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: 69
Temperature: 0.900000
Total energy: -413.094942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.094942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.694942 (E_RNA)
where:
Base-Base interactions energy: -244.568
where: short stacking energy: -99.871
Base-Backbone interact. energy: -0.641
local terms energy: -117.485513
where:
bonds (distance) C4'-P energy: -25.493
bonds (distance) P-C4' energy: -20.490
flat angles C4'-P-C4' energy: -23.384
flat angles P-C4'-P energy: -17.591
tors. eta vs tors. theta energy: -30.526
Dist. restrs. and SS energy: -50.400 (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: 8
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -410.528155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.528155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.128155 (E_RNA)
where:
Base-Base interactions energy: -246.706
where: short stacking energy: -95.611
Base-Backbone interact. energy: -0.975
local terms energy: -112.447295
where:
bonds (distance) C4'-P energy: -24.242
bonds (distance) P-C4' energy: -23.230
flat angles C4'-P-C4' energy: -21.242
flat angles P-C4'-P energy: -16.618
tors. eta vs tors. theta energy: -27.116
Dist. restrs. and SS energy: -50.400 (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: 3
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -380.741850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.741850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.341850 (E_RNA)
where:
Base-Base interactions energy: -229.554
where: short stacking energy: -91.989
Base-Backbone interact. energy: 2.122
local terms energy: -102.909777
where:
bonds (distance) C4'-P energy: -25.803
bonds (distance) P-C4' energy: -22.947
flat angles C4'-P-C4' energy: -21.555
flat angles P-C4'-P energy: -12.575
tors. eta vs tors. theta energy: -20.029
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -375.897970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.897970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.497970 (E_RNA)
where:
Base-Base interactions energy: -222.230
where: short stacking energy: -92.969
Base-Backbone interact. energy: -1.231
local terms energy: -102.036737
where:
bonds (distance) C4'-P energy: -24.938
bonds (distance) P-C4' energy: -19.379
flat angles C4'-P-C4' energy: -23.415
flat angles P-C4'-P energy: -11.718
tors. eta vs tors. theta energy: -22.587
Dist. restrs. and SS energy: -50.400 (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: 6
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -328.953813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.953813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.953813 (E_RNA)
where:
Base-Base interactions energy: -197.387
where: short stacking energy: -82.105
Base-Backbone interact. energy: 0.807
local terms energy: -96.373355
where:
bonds (distance) C4'-P energy: -15.384
bonds (distance) P-C4' energy: -14.801
flat angles C4'-P-C4' energy: -21.177
flat angles P-C4'-P energy: -20.973
tors. eta vs tors. theta energy: -24.039
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -304.803319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.803319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.803319 (E_RNA)
where:
Base-Base interactions energy: -183.020
where: short stacking energy: -81.367
Base-Backbone interact. energy: -0.293
local terms energy: -85.490011
where:
bonds (distance) C4'-P energy: -12.952
bonds (distance) P-C4' energy: -20.318
flat angles C4'-P-C4' energy: -20.350
flat angles P-C4'-P energy: -12.892
tors. eta vs tors. theta energy: -18.977
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -282.816871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.816871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.816871 (E_RNA)
where:
Base-Base interactions energy: -158.231
where: short stacking energy: -68.163
Base-Backbone interact. energy: -0.394
local terms energy: -88.191210
where:
bonds (distance) C4'-P energy: -18.604
bonds (distance) P-C4' energy: -17.248
flat angles C4'-P-C4' energy: -24.302
flat angles P-C4'-P energy: -7.905
tors. eta vs tors. theta energy: -20.132
Dist. restrs. and SS energy: -36.000 (S_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: 69
Temperature: 1.250000
Total energy: -296.782896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.782896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.782896 (E_RNA)
where:
Base-Base interactions energy: -167.116
where: short stacking energy: -71.762
Base-Backbone interact. energy: 0.126
local terms energy: -93.792798
where:
bonds (distance) C4'-P energy: -24.430
bonds (distance) P-C4' energy: -20.605
flat angles C4'-P-C4' energy: -18.194
flat angles P-C4'-P energy: -11.912
tors. eta vs tors. theta energy: -18.653
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -255.112228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.112228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.112228 (E_RNA)
where:
Base-Base interactions energy: -146.221
where: short stacking energy: -58.025
Base-Backbone interact. energy: -0.148
local terms energy: -72.743387
where:
bonds (distance) C4'-P energy: -14.849
bonds (distance) P-C4' energy: -17.345
flat angles C4'-P-C4' energy: -21.922
flat angles P-C4'-P energy: -10.173
tors. eta vs tors. theta energy: -8.454
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -246.097294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.097294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.097294 (E_RNA)
where:
Base-Base interactions energy: -123.211
where: short stacking energy: -61.983
Base-Backbone interact. energy: -0.265
local terms energy: -86.621473
where:
bonds (distance) C4'-P energy: -22.798
bonds (distance) P-C4' energy: -18.892
flat angles C4'-P-C4' energy: -16.171
flat angles P-C4'-P energy: -15.835
tors. eta vs tors. theta energy: -12.925
Dist. restrs. and SS energy: -36.000 (S_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: 70
Temperature: 0.900000
Total energy: -415.990830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.990830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.590830 (E_RNA)
where:
Base-Base interactions energy: -250.028
where: short stacking energy: -103.762
Base-Backbone interact. energy: -1.626
local terms energy: -113.937583
where:
bonds (distance) C4'-P energy: -22.123
bonds (distance) P-C4' energy: -22.055
flat angles C4'-P-C4' energy: -23.102
flat angles P-C4'-P energy: -18.865
tors. eta vs tors. theta energy: -27.794
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -404.608763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.608763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.208763 (E_RNA)
where:
Base-Base interactions energy: -245.434
where: short stacking energy: -94.850
Base-Backbone interact. energy: -0.511
local terms energy: -108.263476
where:
bonds (distance) C4'-P energy: -22.884
bonds (distance) P-C4' energy: -24.117
flat angles C4'-P-C4' energy: -20.890
flat angles P-C4'-P energy: -14.561
tors. eta vs tors. theta energy: -25.811
Dist. restrs. and SS energy: -50.400 (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: 9
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -386.360297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.360297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.960297 (E_RNA)
where:
Base-Base interactions energy: -226.365
where: short stacking energy: -100.951
Base-Backbone interact. energy: -0.684
local terms energy: -108.910605
where:
bonds (distance) C4'-P energy: -22.569
bonds (distance) P-C4' energy: -21.490
flat angles C4'-P-C4' energy: -22.429
flat angles P-C4'-P energy: -17.231
tors. eta vs tors. theta energy: -25.192
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -378.307817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.307817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.907817 (E_RNA)
where:
Base-Base interactions energy: -228.457
where: short stacking energy: -90.237
Base-Backbone interact. energy: -0.365
local terms energy: -99.085270
where:
bonds (distance) C4'-P energy: -16.569
bonds (distance) P-C4' energy: -25.170
flat angles C4'-P-C4' energy: -18.346
flat angles P-C4'-P energy: -13.544
tors. eta vs tors. theta energy: -25.456
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -305.033524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.033524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.833524 (E_RNA)
where:
Base-Base interactions energy: -170.726
where: short stacking energy: -85.319
Base-Backbone interact. energy: 0.037
local terms energy: -100.144213
where:
bonds (distance) C4'-P energy: -19.330
bonds (distance) P-C4' energy: -21.531
flat angles C4'-P-C4' energy: -20.191
flat angles P-C4'-P energy: -18.274
tors. eta vs tors. theta energy: -20.817
Dist. restrs. and SS energy: -34.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -303.052897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.052897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.852897 (E_RNA)
where:
Base-Base interactions energy: -160.803
where: short stacking energy: -66.955
Base-Backbone interact. energy: -0.516
local terms energy: -107.533984
where:
bonds (distance) C4'-P energy: -23.519
bonds (distance) P-C4' energy: -25.270
flat angles C4'-P-C4' energy: -25.686
flat angles P-C4'-P energy: -18.648
tors. eta vs tors. theta energy: -14.411
Dist. restrs. and SS energy: -34.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -294.861067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.861067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.861067 (E_RNA)
where:
Base-Base interactions energy: -164.159
where: short stacking energy: -79.265
Base-Backbone interact. energy: -0.454
local terms energy: -94.247690
where:
bonds (distance) C4'-P energy: -20.207
bonds (distance) P-C4' energy: -21.450
flat angles C4'-P-C4' energy: -24.206
flat angles P-C4'-P energy: -16.025
tors. eta vs tors. theta energy: -12.360
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -269.775344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.775344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.775344 (E_RNA)
where:
Base-Base interactions energy: -161.232
where: short stacking energy: -77.112
Base-Backbone interact. energy: -0.192
local terms energy: -72.351717
where:
bonds (distance) C4'-P energy: -11.536
bonds (distance) P-C4' energy: -15.904
flat angles C4'-P-C4' energy: -14.914
flat angles P-C4'-P energy: -15.254
tors. eta vs tors. theta energy: -14.744
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -272.053561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.053561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.853561 (E_RNA)
where:
Base-Base interactions energy: -154.917
where: short stacking energy: -69.333
Base-Backbone interact. energy: -0.152
local terms energy: -82.783841
where:
bonds (distance) C4'-P energy: -19.393
bonds (distance) P-C4' energy: -20.636
flat angles C4'-P-C4' energy: -24.104
flat angles P-C4'-P energy: -5.012
tors. eta vs tors. theta energy: -13.638
Dist. restrs. and SS energy: -34.200 (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: 70
Temperature: 1.350000
Total energy: -266.781175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.781175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.581175 (E_RNA)
where:
Base-Base interactions energy: -145.471
where: short stacking energy: -60.598
Base-Backbone interact. energy: -0.823
local terms energy: -86.286294
where:
bonds (distance) C4'-P energy: -16.492
bonds (distance) P-C4' energy: -17.718
flat angles C4'-P-C4' energy: -22.615
flat angles P-C4'-P energy: -14.215
tors. eta vs tors. theta energy: -15.247
Dist. restrs. and SS energy: -34.200 (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: 8
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -422.398045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.398045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.998045 (E_RNA)
where:
Base-Base interactions energy: -262.792
where: short stacking energy: -90.490
Base-Backbone interact. energy: -1.013
local terms energy: -108.193345
where:
bonds (distance) C4'-P energy: -21.279
bonds (distance) P-C4' energy: -18.624
flat angles C4'-P-C4' energy: -24.688
flat angles P-C4'-P energy: -17.399
tors. eta vs tors. theta energy: -26.204
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -416.551659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.551659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.951659 (E_RNA)
where:
Base-Base interactions energy: -256.430
where: short stacking energy: -101.143
Base-Backbone interact. energy: 0.922
local terms energy: -112.443502
where:
bonds (distance) C4'-P energy: -19.908
bonds (distance) P-C4' energy: -22.191
flat angles C4'-P-C4' energy: -24.793
flat angles P-C4'-P energy: -17.574
tors. eta vs tors. theta energy: -27.976
Dist. restrs. and SS energy: -48.600 (S_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: 71
Temperature: 1.000000
Total energy: -387.927274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.927274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.327274 (E_RNA)
where:
Base-Base interactions energy: -238.657
where: short stacking energy: -87.703
Base-Backbone interact. energy: -0.455
local terms energy: -100.215516
where:
bonds (distance) C4'-P energy: -23.655
bonds (distance) P-C4' energy: -16.694
flat angles C4'-P-C4' energy: -21.258
flat angles P-C4'-P energy: -14.022
tors. eta vs tors. theta energy: -24.587
Dist. restrs. and SS energy: -48.600 (S_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: 71
Temperature: 1.050000
Total energy: -387.407646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.407646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.007646 (E_RNA)
where:
Base-Base interactions energy: -229.774
where: short stacking energy: -90.301
Base-Backbone interact. energy: -0.499
local terms energy: -106.734273
where:
bonds (distance) C4'-P energy: -20.902
bonds (distance) P-C4' energy: -23.228
flat angles C4'-P-C4' energy: -20.037
flat angles P-C4'-P energy: -16.158
tors. eta vs tors. theta energy: -26.408
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -307.432177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.432177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.432177 (E_RNA)
where:
Base-Base interactions energy: -177.151
where: short stacking energy: -82.560
Base-Backbone interact. energy: -0.738
local terms energy: -93.543440
where:
bonds (distance) C4'-P energy: -15.710
bonds (distance) P-C4' energy: -24.982
flat angles C4'-P-C4' energy: -19.900
flat angles P-C4'-P energy: -15.373
tors. eta vs tors. theta energy: -17.578
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -285.782701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.782701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.582701 (E_RNA)
where:
Base-Base interactions energy: -161.742
where: short stacking energy: -78.561
Base-Backbone interact. energy: -0.108
local terms energy: -89.733098
where:
bonds (distance) C4'-P energy: -17.767
bonds (distance) P-C4' energy: -22.160
flat angles C4'-P-C4' energy: -14.711
flat angles P-C4'-P energy: -12.488
tors. eta vs tors. theta energy: -22.607
Dist. restrs. and SS energy: -34.200 (S_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: -267.377718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.377718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.377718 (E_RNA)
where:
Base-Base interactions energy: -146.403
where: short stacking energy: -63.090
Base-Backbone interact. energy: -0.142
local terms energy: -84.833087
where:
bonds (distance) C4'-P energy: -22.077
bonds (distance) P-C4' energy: -15.248
flat angles C4'-P-C4' energy: -19.057
flat angles P-C4'-P energy: -17.598
tors. eta vs tors. theta energy: -10.854
Dist. restrs. and SS energy: -36.000 (S_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: -275.034041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.034041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.034041 (E_RNA)
where:
Base-Base interactions energy: -149.101
where: short stacking energy: -63.984
Base-Backbone interact. energy: -0.413
local terms energy: -89.519944
where:
bonds (distance) C4'-P energy: -25.091
bonds (distance) P-C4' energy: -23.747
flat angles C4'-P-C4' energy: -14.990
flat angles P-C4'-P energy: -12.848
tors. eta vs tors. theta energy: -12.845
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -267.061524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.061524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.061524 (E_RNA)
where:
Base-Base interactions energy: -147.078
where: short stacking energy: -61.187
Base-Backbone interact. energy: -0.327
local terms energy: -83.656434
where:
bonds (distance) C4'-P energy: -19.162
bonds (distance) P-C4' energy: -19.594
flat angles C4'-P-C4' energy: -20.763
flat angles P-C4'-P energy: -12.072
tors. eta vs tors. theta energy: -12.066
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -241.583629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.583629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.583629 (E_RNA)
where:
Base-Base interactions energy: -122.067
where: short stacking energy: -53.857
Base-Backbone interact. energy: 0.023
local terms energy: -83.540055
where:
bonds (distance) C4'-P energy: -11.628
bonds (distance) P-C4' energy: -21.432
flat angles C4'-P-C4' energy: -21.400
flat angles P-C4'-P energy: -14.843
tors. eta vs tors. theta energy: -14.238
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -422.051450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.051450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.651450 (E_RNA)
where:
Base-Base interactions energy: -257.502
where: short stacking energy: -101.298
Base-Backbone interact. energy: -0.829
local terms energy: -113.320333
where:
bonds (distance) C4'-P energy: -22.739
bonds (distance) P-C4' energy: -21.613
flat angles C4'-P-C4' energy: -22.522
flat angles P-C4'-P energy: -19.661
tors. eta vs tors. theta energy: -26.786
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -408.068965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.068965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.668965 (E_RNA)
where:
Base-Base interactions energy: -249.443
where: short stacking energy: -94.960
Base-Backbone interact. energy: -0.627
local terms energy: -107.598863
where:
bonds (distance) C4'-P energy: -21.573
bonds (distance) P-C4' energy: -19.634
flat angles C4'-P-C4' energy: -25.381
flat angles P-C4'-P energy: -14.128
tors. eta vs tors. theta energy: -26.883
Dist. restrs. and SS energy: -50.400 (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: 3
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -379.132494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.132494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.732494 (E_RNA)
where:
Base-Base interactions energy: -225.593
where: short stacking energy: -92.339
Base-Backbone interact. energy: -1.728
local terms energy: -101.411456
where:
bonds (distance) C4'-P energy: -18.707
bonds (distance) P-C4' energy: -21.940
flat angles C4'-P-C4' energy: -24.044
flat angles P-C4'-P energy: -11.925
tors. eta vs tors. theta energy: -24.796
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -385.684988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.684988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.284988 (E_RNA)
where:
Base-Base interactions energy: -222.074
where: short stacking energy: -95.803
Base-Backbone interact. energy: -0.941
local terms energy: -112.269419
where:
bonds (distance) C4'-P energy: -25.740
bonds (distance) P-C4' energy: -24.803
flat angles C4'-P-C4' energy: -25.867
flat angles P-C4'-P energy: -11.300
tors. eta vs tors. theta energy: -24.559
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -301.468088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.468088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.268088 (E_RNA)
where:
Base-Base interactions energy: -160.730
where: short stacking energy: -82.304
Base-Backbone interact. energy: -0.072
local terms energy: -106.466525
where:
bonds (distance) C4'-P energy: -21.570
bonds (distance) P-C4' energy: -20.864
flat angles C4'-P-C4' energy: -26.105
flat angles P-C4'-P energy: -13.798
tors. eta vs tors. theta energy: -24.130
Dist. restrs. and SS energy: -34.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -283.958036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.958036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.758036 (E_RNA)
where:
Base-Base interactions energy: -153.178
where: short stacking energy: -74.618
Base-Backbone interact. energy: -0.101
local terms energy: -96.478886
where:
bonds (distance) C4'-P energy: -22.603
bonds (distance) P-C4' energy: -24.672
flat angles C4'-P-C4' energy: -21.914
flat angles P-C4'-P energy: -16.174
tors. eta vs tors. theta energy: -11.116
Dist. restrs. and SS energy: -34.200 (S_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: -277.116751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.116751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.116751 (E_RNA)
where:
Base-Base interactions energy: -143.399
where: short stacking energy: -74.212
Base-Backbone interact. energy: -1.215
local terms energy: -96.502782
where:
bonds (distance) C4'-P energy: -18.349
bonds (distance) P-C4' energy: -20.620
flat angles C4'-P-C4' energy: -22.690
flat angles P-C4'-P energy: -16.543
tors. eta vs tors. theta energy: -18.301
Dist. restrs. and SS energy: -36.000 (S_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: -277.174763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.174763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.174763 (E_RNA)
where:
Base-Base interactions energy: -148.674
where: short stacking energy: -63.527
Base-Backbone interact. energy: -0.719
local terms energy: -91.781070
where:
bonds (distance) C4'-P energy: -20.306
bonds (distance) P-C4' energy: -23.992
flat angles C4'-P-C4' energy: -20.317
flat angles P-C4'-P energy: -13.707
tors. eta vs tors. theta energy: -13.459
Dist. restrs. and SS energy: -36.000 (S_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: -249.100018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.100018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.100018 (E_RNA)
where:
Base-Base interactions energy: -137.760
where: short stacking energy: -63.553
Base-Backbone interact. energy: -0.600
local terms energy: -74.740015
where:
bonds (distance) C4'-P energy: -14.951
bonds (distance) P-C4' energy: -18.405
flat angles C4'-P-C4' energy: -18.805
flat angles P-C4'-P energy: -9.289
tors. eta vs tors. theta energy: -13.290
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -262.741749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.741749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.741749 (E_RNA)
where:
Base-Base interactions energy: -147.294
where: short stacking energy: -71.575
Base-Backbone interact. energy: 1.405
local terms energy: -80.852888
where:
bonds (distance) C4'-P energy: -14.161
bonds (distance) P-C4' energy: -19.367
flat angles C4'-P-C4' energy: -19.690
flat angles P-C4'-P energy: -13.665
tors. eta vs tors. theta energy: -13.970
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -416.677442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.677442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.277442 (E_RNA)
where:
Base-Base interactions energy: -255.011
where: short stacking energy: -94.061
Base-Backbone interact. energy: -0.228
local terms energy: -111.038513
where:
bonds (distance) C4'-P energy: -22.515
bonds (distance) P-C4' energy: -21.850
flat angles C4'-P-C4' energy: -21.048
flat angles P-C4'-P energy: -19.777
tors. eta vs tors. theta energy: -25.848
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -411.736459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.736459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.336459 (E_RNA)
where:
Base-Base interactions energy: -253.579
where: short stacking energy: -89.979
Base-Backbone interact. energy: -0.541
local terms energy: -107.216615
where:
bonds (distance) C4'-P energy: -22.403
bonds (distance) P-C4' energy: -21.782
flat angles C4'-P-C4' energy: -20.813
flat angles P-C4'-P energy: -16.141
tors. eta vs tors. theta energy: -26.077
Dist. restrs. and SS energy: -50.400 (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: 3
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -377.552355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.552355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.952355 (E_RNA)
where:
Base-Base interactions energy: -220.221
where: short stacking energy: -93.716
Base-Backbone interact. energy: -1.101
local terms energy: -107.629729
where:
bonds (distance) C4'-P energy: -24.466
bonds (distance) P-C4' energy: -22.053
flat angles C4'-P-C4' energy: -24.074
flat angles P-C4'-P energy: -12.030
tors. eta vs tors. theta energy: -25.006
Dist. restrs. and SS energy: -48.600 (S_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: 73
Temperature: 1.050000
Total energy: -351.329128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.329128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.129128 (E_RNA)
where:
Base-Base interactions energy: -211.336
where: short stacking energy: -96.830
Base-Backbone interact. energy: -0.089
local terms energy: -96.703968
where:
bonds (distance) C4'-P energy: -18.307
bonds (distance) P-C4' energy: -24.004
flat angles C4'-P-C4' energy: -24.173
flat angles P-C4'-P energy: -11.579
tors. eta vs tors. theta energy: -18.641
Dist. restrs. and SS energy: -43.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -308.555099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.555099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.555099 (E_RNA)
where:
Base-Base interactions energy: -171.281
where: short stacking energy: -85.126
Base-Backbone interact. energy: -0.120
local terms energy: -101.154129
where:
bonds (distance) C4'-P energy: -22.922
bonds (distance) P-C4' energy: -20.331
flat angles C4'-P-C4' energy: -23.508
flat angles P-C4'-P energy: -16.439
tors. eta vs tors. theta energy: -17.954
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -278.980211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.980211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.980211 (E_RNA)
where:
Base-Base interactions energy: -147.093
where: short stacking energy: -68.819
Base-Backbone interact. energy: 0.158
local terms energy: -96.045463
where:
bonds (distance) C4'-P energy: -20.207
bonds (distance) P-C4' energy: -22.417
flat angles C4'-P-C4' energy: -21.265
flat angles P-C4'-P energy: -15.293
tors. eta vs tors. theta energy: -16.863
Dist. restrs. and SS energy: -36.000 (S_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: -295.526220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.526220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.326220 (E_RNA)
where:
Base-Base interactions energy: -156.446
where: short stacking energy: -81.268
Base-Backbone interact. energy: -0.783
local terms energy: -104.097717
where:
bonds (distance) C4'-P energy: -25.204
bonds (distance) P-C4' energy: -24.219
flat angles C4'-P-C4' energy: -21.269
flat angles P-C4'-P energy: -12.677
tors. eta vs tors. theta energy: -20.729
Dist. restrs. and SS energy: -34.200 (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: 73
Temperature: 1.250000
Total energy: -249.366867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.366867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.366867 (E_RNA)
where:
Base-Base interactions energy: -126.911
where: short stacking energy: -54.782
Base-Backbone interact. energy: -0.675
local terms energy: -85.780747
where:
bonds (distance) C4'-P energy: -22.413
bonds (distance) P-C4' energy: -23.103
flat angles C4'-P-C4' energy: -18.404
flat angles P-C4'-P energy: -14.865
tors. eta vs tors. theta energy: -6.995
Dist. restrs. and SS energy: -36.000 (S_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: -282.240490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.240490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.240490 (E_RNA)
where:
Base-Base interactions energy: -160.717
where: short stacking energy: -70.674
Base-Backbone interact. energy: -0.306
local terms energy: -85.216872
where:
bonds (distance) C4'-P energy: -20.161
bonds (distance) P-C4' energy: -20.492
flat angles C4'-P-C4' energy: -17.869
flat angles P-C4'-P energy: -10.555
tors. eta vs tors. theta energy: -16.140
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -263.913002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.913002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.713002 (E_RNA)
where:
Base-Base interactions energy: -144.109
where: short stacking energy: -56.382
Base-Backbone interact. energy: -0.005
local terms energy: -85.598780
where:
bonds (distance) C4'-P energy: -20.702
bonds (distance) P-C4' energy: -20.424
flat angles C4'-P-C4' energy: -20.214
flat angles P-C4'-P energy: -15.848
tors. eta vs tors. theta energy: -8.410
Dist. restrs. and SS energy: -34.200 (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: 10
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -411.666339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.666339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.266339 (E_RNA)
where:
Base-Base interactions energy: -243.350
where: short stacking energy: -100.766
Base-Backbone interact. energy: -0.702
local terms energy: -117.214746
where:
bonds (distance) C4'-P energy: -25.416
bonds (distance) P-C4' energy: -23.352
flat angles C4'-P-C4' energy: -23.471
flat angles P-C4'-P energy: -18.310
tors. eta vs tors. theta energy: -26.666
Dist. restrs. and SS energy: -50.400 (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: 8
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -416.222042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.222042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.822042 (E_RNA)
where:
Base-Base interactions energy: -258.486
where: short stacking energy: -97.607
Base-Backbone interact. energy: 0.075
local terms energy: -107.411081
where:
bonds (distance) C4'-P energy: -20.933
bonds (distance) P-C4' energy: -21.944
flat angles C4'-P-C4' energy: -21.675
flat angles P-C4'-P energy: -17.955
tors. eta vs tors. theta energy: -24.904
Dist. restrs. and SS energy: -50.400 (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: 3
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -388.057276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.057276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.657276 (E_RNA)
where:
Base-Base interactions energy: -228.261
where: short stacking energy: -99.348
Base-Backbone interact. energy: -0.788
local terms energy: -108.608398
where:
bonds (distance) C4'-P energy: -22.562
bonds (distance) P-C4' energy: -21.724
flat angles C4'-P-C4' energy: -21.439
flat angles P-C4'-P energy: -15.263
tors. eta vs tors. theta energy: -27.620
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -353.259308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.259308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.059308 (E_RNA)
where:
Base-Base interactions energy: -206.686
where: short stacking energy: -96.508
Base-Backbone interact. energy: -0.606
local terms energy: -102.767687
where:
bonds (distance) C4'-P energy: -22.276
bonds (distance) P-C4' energy: -23.072
flat angles C4'-P-C4' energy: -19.109
flat angles P-C4'-P energy: -11.911
tors. eta vs tors. theta energy: -26.399
Dist. restrs. and SS energy: -43.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -315.315159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.315159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.315159 (E_RNA)
where:
Base-Base interactions energy: -170.705
where: short stacking energy: -80.288
Base-Backbone interact. energy: -0.307
local terms energy: -108.302659
where:
bonds (distance) C4'-P energy: -21.658
bonds (distance) P-C4' energy: -27.083
flat angles C4'-P-C4' energy: -22.805
flat angles P-C4'-P energy: -15.126
tors. eta vs tors. theta energy: -21.630
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -290.021866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.021866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.021866 (E_RNA)
where:
Base-Base interactions energy: -171.929
where: short stacking energy: -81.820
Base-Backbone interact. energy: 0.390
local terms energy: -82.482823
where:
bonds (distance) C4'-P energy: -15.565
bonds (distance) P-C4' energy: -13.851
flat angles C4'-P-C4' energy: -20.594
flat angles P-C4'-P energy: -13.054
tors. eta vs tors. theta energy: -19.420
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. 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: -267.496973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.496973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.496973 (E_RNA)
where:
Base-Base interactions energy: -136.521
where: short stacking energy: -57.984
Base-Backbone interact. energy: -0.565
local terms energy: -94.411671
where:
bonds (distance) C4'-P energy: -24.455
bonds (distance) P-C4' energy: -25.911
flat angles C4'-P-C4' energy: -22.906
flat angles P-C4'-P energy: -12.504
tors. eta vs tors. theta energy: -8.635
Dist. restrs. and SS energy: -36.000 (S_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: -274.634368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.634368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.634368 (E_RNA)
where:
Base-Base interactions energy: -160.670
where: short stacking energy: -71.076
Base-Backbone interact. energy: -0.906
local terms energy: -77.058387
where:
bonds (distance) C4'-P energy: -18.293
bonds (distance) P-C4' energy: -18.567
flat angles C4'-P-C4' energy: -25.141
flat angles P-C4'-P energy: -6.364
tors. eta vs tors. theta energy: -8.693
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -270.182072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.182072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.182072 (E_RNA)
where:
Base-Base interactions energy: -156.821
where: short stacking energy: -80.003
Base-Backbone interact. energy: -1.178
local terms energy: -76.183525
where:
bonds (distance) C4'-P energy: -7.489
bonds (distance) P-C4' energy: -17.425
flat angles C4'-P-C4' energy: -20.975
flat angles P-C4'-P energy: -11.135
tors. eta vs tors. theta energy: -19.159
Dist. restrs. and SS energy: -36.000 (S_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: 74
Temperature: 1.350000
Total energy: -279.240613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.240613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.240613 (E_RNA)
where:
Base-Base interactions energy: -151.317
where: short stacking energy: -64.167
Base-Backbone interact. energy: -0.149
local terms energy: -91.775209
where:
bonds (distance) C4'-P energy: -25.632
bonds (distance) P-C4' energy: -21.292
flat angles C4'-P-C4' energy: -16.769
flat angles P-C4'-P energy: -13.073
tors. eta vs tors. theta energy: -15.010
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -423.314131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.314131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.914131 (E_RNA)
where:
Base-Base interactions energy: -250.155
where: short stacking energy: -97.665
Base-Backbone interact. energy: -1.440
local terms energy: -121.319708
where:
bonds (distance) C4'-P energy: -26.876
bonds (distance) P-C4' energy: -28.210
flat angles C4'-P-C4' energy: -21.742
flat angles P-C4'-P energy: -18.291
tors. eta vs tors. theta energy: -26.200
Dist. restrs. and SS energy: -50.400 (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: 75
Temperature: 0.950000
Total energy: -387.911186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.911186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.311186 (E_RNA)
where:
Base-Base interactions energy: -230.059
where: short stacking energy: -95.092
Base-Backbone interact. energy: -0.901
local terms energy: -108.350869
where:
bonds (distance) C4'-P energy: -17.421
bonds (distance) P-C4' energy: -24.735
flat angles C4'-P-C4' energy: -24.250
flat angles P-C4'-P energy: -19.291
tors. eta vs tors. theta energy: -22.655
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -401.594507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.594507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.994507 (E_RNA)
where:
Base-Base interactions energy: -248.558
where: short stacking energy: -94.998
Base-Backbone interact. energy: -0.750
local terms energy: -103.685868
where:
bonds (distance) C4'-P energy: -14.782
bonds (distance) P-C4' energy: -21.533
flat angles C4'-P-C4' energy: -23.644
flat angles P-C4'-P energy: -18.680
tors. eta vs tors. theta energy: -25.047
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -368.407963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.407963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.007963 (E_RNA)
where:
Base-Base interactions energy: -219.956
where: short stacking energy: -96.426
Base-Backbone interact. energy: -0.199
local terms energy: -97.853954
where:
bonds (distance) C4'-P energy: -21.102
bonds (distance) P-C4' energy: -21.189
flat angles C4'-P-C4' energy: -19.841
flat angles P-C4'-P energy: -12.332
tors. eta vs tors. theta energy: -23.389
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -323.700457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.700457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.700457 (E_RNA)
where:
Base-Base interactions energy: -193.032
where: short stacking energy: -82.243
Base-Backbone interact. energy: 0.981
local terms energy: -95.650133
where:
bonds (distance) C4'-P energy: -17.915
bonds (distance) P-C4' energy: -22.270
flat angles C4'-P-C4' energy: -18.833
flat angles P-C4'-P energy: -16.714
tors. eta vs tors. theta energy: -19.918
Dist. restrs. and SS energy: -36.000 (S_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: 75
Temperature: 1.150000
Total energy: -289.549894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.549894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.549894 (E_RNA)
where:
Base-Base interactions energy: -152.674
where: short stacking energy: -85.109
Base-Backbone interact. energy: -0.845
local terms energy: -100.030486
where:
bonds (distance) C4'-P energy: -16.596
bonds (distance) P-C4' energy: -19.006
flat angles C4'-P-C4' energy: -23.353
flat angles P-C4'-P energy: -16.023
tors. eta vs tors. theta energy: -25.052
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -291.412256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.412256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.412256 (E_RNA)
where:
Base-Base interactions energy: -166.314
where: short stacking energy: -81.128
Base-Backbone interact. energy: 1.982
local terms energy: -91.079806
where:
bonds (distance) C4'-P energy: -14.637
bonds (distance) P-C4' energy: -23.494
flat angles C4'-P-C4' energy: -24.496
flat angles P-C4'-P energy: -7.184
tors. eta vs tors. theta energy: -21.269
Dist. restrs. and SS energy: -36.000 (S_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: -288.269409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.269409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.269409 (E_RNA)
where:
Base-Base interactions energy: -163.925
where: short stacking energy: -77.487
Base-Backbone interact. energy: -0.341
local terms energy: -88.003377
where:
bonds (distance) C4'-P energy: -22.806
bonds (distance) P-C4' energy: -18.521
flat angles C4'-P-C4' energy: -21.114
flat angles P-C4'-P energy: -14.638
tors. eta vs tors. theta energy: -10.925
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -287.240116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.240116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.040116 (E_RNA)
where:
Base-Base interactions energy: -160.091
where: short stacking energy: -82.523
Base-Backbone interact. energy: -0.383
local terms energy: -92.566726
where:
bonds (distance) C4'-P energy: -22.325
bonds (distance) P-C4' energy: -15.158
flat angles C4'-P-C4' energy: -24.046
flat angles P-C4'-P energy: -9.374
tors. eta vs tors. theta energy: -21.662
Dist. restrs. and SS energy: -34.200 (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: 6
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -262.953052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.953052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.953052 (E_RNA)
where:
Base-Base interactions energy: -148.307
where: short stacking energy: -59.620
Base-Backbone interact. energy: 1.549
local terms energy: -80.195571
where:
bonds (distance) C4'-P energy: -23.796
bonds (distance) P-C4' energy: -19.112
flat angles C4'-P-C4' energy: -19.422
flat angles P-C4'-P energy: -9.645
tors. eta vs tors. theta energy: -8.220
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -415.474248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.474248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.074248 (E_RNA)
where:
Base-Base interactions energy: -253.338
where: short stacking energy: -105.968
Base-Backbone interact. energy: -0.591
local terms energy: -111.145932
where:
bonds (distance) C4'-P energy: -23.328
bonds (distance) P-C4' energy: -20.970
flat angles C4'-P-C4' energy: -27.162
flat angles P-C4'-P energy: -10.652
tors. eta vs tors. theta energy: -29.034
Dist. restrs. and SS energy: -50.400 (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: 76
Temperature: 0.950000
Total energy: -390.912178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.912178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.512178 (E_RNA)
where:
Base-Base interactions energy: -229.652
where: short stacking energy: -99.400
Base-Backbone interact. energy: 1.517
local terms energy: -112.377919
where:
bonds (distance) C4'-P energy: -22.570
bonds (distance) P-C4' energy: -24.786
flat angles C4'-P-C4' energy: -20.931
flat angles P-C4'-P energy: -19.594
tors. eta vs tors. theta energy: -24.498
Dist. restrs. and SS energy: -50.400 (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: 76
Temperature: 1.000000
Total energy: -404.434851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.434851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.034851 (E_RNA)
where:
Base-Base interactions energy: -250.403
where: short stacking energy: -96.481
Base-Backbone interact. energy: -0.969
local terms energy: -102.662582
where:
bonds (distance) C4'-P energy: -15.697
bonds (distance) P-C4' energy: -17.468
flat angles C4'-P-C4' energy: -25.469
flat angles P-C4'-P energy: -14.711
tors. eta vs tors. theta energy: -29.317
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -374.612588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.612588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.212588 (E_RNA)
where:
Base-Base interactions energy: -222.743
where: short stacking energy: -98.964
Base-Backbone interact. energy: 0.330
local terms energy: -101.798685
where:
bonds (distance) C4'-P energy: -18.381
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -26.184
flat angles P-C4'-P energy: -15.839
tors. eta vs tors. theta energy: -24.779
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -304.897859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.897859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.897859 (E_RNA)
where:
Base-Base interactions energy: -171.525
where: short stacking energy: -88.655
Base-Backbone interact. energy: 0.914
local terms energy: -98.286815
where:
bonds (distance) C4'-P energy: -20.043
bonds (distance) P-C4' energy: -18.241
flat angles C4'-P-C4' energy: -24.612
flat angles P-C4'-P energy: -13.350
tors. eta vs tors. theta energy: -22.040
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -287.351634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.351634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.351634 (E_RNA)
where:
Base-Base interactions energy: -158.219
where: short stacking energy: -75.024
Base-Backbone interact. energy: 0.484
local terms energy: -93.615735
where:
bonds (distance) C4'-P energy: -17.179
bonds (distance) P-C4' energy: -19.694
flat angles C4'-P-C4' energy: -21.852
flat angles P-C4'-P energy: -15.892
tors. eta vs tors. theta energy: -18.998
Dist. restrs. and SS energy: -36.000 (S_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: 76
Temperature: 1.200000
Total energy: -300.860166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.860166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.660166 (E_RNA)
where:
Base-Base interactions energy: -175.204
where: short stacking energy: -69.050
Base-Backbone interact. energy: -0.390
local terms energy: -91.065875
where:
bonds (distance) C4'-P energy: -23.623
bonds (distance) P-C4' energy: -17.377
flat angles C4'-P-C4' energy: -24.320
flat angles P-C4'-P energy: -11.926
tors. eta vs tors. theta energy: -13.820
Dist. restrs. and SS energy: -34.200 (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: 76
Temperature: 1.250000
Total energy: -278.669272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.669272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.669272 (E_RNA)
where:
Base-Base interactions energy: -149.192
where: short stacking energy: -68.918
Base-Backbone interact. energy: -0.074
local terms energy: -93.403505
where:
bonds (distance) C4'-P energy: -18.964
bonds (distance) P-C4' energy: -22.723
flat angles C4'-P-C4' energy: -23.133
flat angles P-C4'-P energy: -13.292
tors. eta vs tors. theta energy: -15.291
Dist. restrs. and SS energy: -36.000 (S_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: 76
Temperature: 1.300000
Total energy: -260.124266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.124266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.124266 (E_RNA)
where:
Base-Base interactions energy: -150.484
where: short stacking energy: -67.459
Base-Backbone interact. energy: -0.890
local terms energy: -72.750716
where:
bonds (distance) C4'-P energy: -16.240
bonds (distance) P-C4' energy: -15.537
flat angles C4'-P-C4' energy: -20.691
flat angles P-C4'-P energy: -7.442
tors. eta vs tors. theta energy: -12.841
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -271.004746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.004746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.004746 (E_RNA)
where:
Base-Base interactions energy: -155.296
where: short stacking energy: -61.635
Base-Backbone interact. energy: -0.256
local terms energy: -79.452607
where:
bonds (distance) C4'-P energy: -16.101
bonds (distance) P-C4' energy: -17.720
flat angles C4'-P-C4' energy: -23.802
flat angles P-C4'-P energy: -13.133
tors. eta vs tors. theta energy: -8.697
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -418.845919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.845919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.445919 (E_RNA)
where:
Base-Base interactions energy: -250.520
where: short stacking energy: -103.292
Base-Backbone interact. energy: -1.006
local terms energy: -116.919939
where:
bonds (distance) C4'-P energy: -26.961
bonds (distance) P-C4' energy: -23.785
flat angles C4'-P-C4' energy: -24.979
flat angles P-C4'-P energy: -13.374
tors. eta vs tors. theta energy: -27.820
Dist. restrs. and SS energy: -50.400 (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: 8
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -403.907814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.907814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.307814 (E_RNA)
where:
Base-Base interactions energy: -247.624
where: short stacking energy: -95.494
Base-Backbone interact. energy: -0.374
local terms energy: -107.309666
where:
bonds (distance) C4'-P energy: -18.272
bonds (distance) P-C4' energy: -16.818
flat angles C4'-P-C4' energy: -26.987
flat angles P-C4'-P energy: -15.575
tors. eta vs tors. theta energy: -29.658
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -393.826418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.826418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.426418 (E_RNA)
where:
Base-Base interactions energy: -238.687
where: short stacking energy: -96.936
Base-Backbone interact. energy: -0.891
local terms energy: -103.848396
where:
bonds (distance) C4'-P energy: -19.205
bonds (distance) P-C4' energy: -24.874
flat angles C4'-P-C4' energy: -22.982
flat angles P-C4'-P energy: -14.717
tors. eta vs tors. theta energy: -22.071
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -371.621223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.621223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.021223 (E_RNA)
where:
Base-Base interactions energy: -221.909
where: short stacking energy: -85.713
Base-Backbone interact. energy: -2.045
local terms energy: -99.067683
where:
bonds (distance) C4'-P energy: -16.416
bonds (distance) P-C4' energy: -20.129
flat angles C4'-P-C4' energy: -23.612
flat angles P-C4'-P energy: -15.249
tors. eta vs tors. theta energy: -23.661
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -311.743652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.743652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.743652 (E_RNA)
where:
Base-Base interactions energy: -177.294
where: short stacking energy: -66.528
Base-Backbone interact. energy: -0.169
local terms energy: -98.280868
where:
bonds (distance) C4'-P energy: -24.519
bonds (distance) P-C4' energy: -22.902
flat angles C4'-P-C4' energy: -23.982
flat angles P-C4'-P energy: -11.332
tors. eta vs tors. theta energy: -15.546
Dist. restrs. and SS energy: -36.000 (S_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: 77
Temperature: 1.150000
Total energy: -306.975792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.975792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.175792 (E_RNA)
where:
Base-Base interactions energy: -182.540
where: short stacking energy: -83.706
Base-Backbone interact. energy: -2.812
local terms energy: -92.824050
where:
bonds (distance) C4'-P energy: -20.979
bonds (distance) P-C4' energy: -23.565
flat angles C4'-P-C4' energy: -18.330
flat angles P-C4'-P energy: -9.845
tors. eta vs tors. theta energy: -20.105
Dist. restrs. and SS energy: -28.800 (S_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: 77
Temperature: 1.200000
Total energy: -264.801374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.801374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.801374 (E_RNA)
where:
Base-Base interactions energy: -141.216
where: short stacking energy: -70.640
Base-Backbone interact. energy: -1.094
local terms energy: -86.490942
where:
bonds (distance) C4'-P energy: -13.598
bonds (distance) P-C4' energy: -22.212
flat angles C4'-P-C4' energy: -20.864
flat angles P-C4'-P energy: -15.529
tors. eta vs tors. theta energy: -14.288
Dist. restrs. and SS energy: -36.000 (S_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: 77
Temperature: 1.250000
Total energy: -255.223282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.223282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.223282 (E_RNA)
where:
Base-Base interactions energy: -130.053
where: short stacking energy: -64.064
Base-Backbone interact. energy: -0.228
local terms energy: -88.941412
where:
bonds (distance) C4'-P energy: -22.130
bonds (distance) P-C4' energy: -23.004
flat angles C4'-P-C4' energy: -22.381
flat angles P-C4'-P energy: -12.661
tors. eta vs tors. theta energy: -8.765
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -254.315079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.315079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.315079 (E_RNA)
where:
Base-Base interactions energy: -138.416
where: short stacking energy: -69.784
Base-Backbone interact. energy: -0.536
local terms energy: -79.363055
where:
bonds (distance) C4'-P energy: -14.276
bonds (distance) P-C4' energy: -21.397
flat angles C4'-P-C4' energy: -16.702
flat angles P-C4'-P energy: -12.773
tors. eta vs tors. theta energy: -14.214
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -246.341382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.341382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.941382 (E_RNA)
where:
Base-Base interactions energy: -138.053
where: short stacking energy: -60.843
Base-Backbone interact. energy: -0.744
local terms energy: -75.144504
where:
bonds (distance) C4'-P energy: -17.936
bonds (distance) P-C4' energy: -14.147
flat angles C4'-P-C4' energy: -19.013
flat angles P-C4'-P energy: -14.811
tors. eta vs tors. theta energy: -9.237
Dist. restrs. and SS energy: -32.400 (S_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: 78
Temperature: 0.900000
Total energy: -406.408131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.408131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.008131 (E_RNA)
where:
Base-Base interactions energy: -244.038
where: short stacking energy: -94.441
Base-Backbone interact. energy: -0.748
local terms energy: -111.222056
where:
bonds (distance) C4'-P energy: -24.564
bonds (distance) P-C4' energy: -23.010
flat angles C4'-P-C4' energy: -20.110
flat angles P-C4'-P energy: -20.692
tors. eta vs tors. theta energy: -22.845
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -407.327503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.327503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.927503 (E_RNA)
where:
Base-Base interactions energy: -244.809
where: short stacking energy: -107.002
Base-Backbone interact. energy: 1.281
local terms energy: -113.398880
where:
bonds (distance) C4'-P energy: -22.881
bonds (distance) P-C4' energy: -22.145
flat angles C4'-P-C4' energy: -22.050
flat angles P-C4'-P energy: -16.352
tors. eta vs tors. theta energy: -29.972
Dist. restrs. and SS energy: -50.400 (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: 3
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -393.256032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.256032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.856032 (E_RNA)
where:
Base-Base interactions energy: -243.937
where: short stacking energy: -89.485
Base-Backbone interact. energy: -1.402
local terms energy: -97.517768
where:
bonds (distance) C4'-P energy: -13.887
bonds (distance) P-C4' energy: -17.593
flat angles C4'-P-C4' energy: -22.056
flat angles P-C4'-P energy: -17.182
tors. eta vs tors. theta energy: -26.799
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -377.668868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.668868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.268868 (E_RNA)
where:
Base-Base interactions energy: -230.995
where: short stacking energy: -90.352
Base-Backbone interact. energy: -0.591
local terms energy: -95.683198
where:
bonds (distance) C4'-P energy: -16.602
bonds (distance) P-C4' energy: -21.967
flat angles C4'-P-C4' energy: -17.054
flat angles P-C4'-P energy: -19.528
tors. eta vs tors. theta energy: -20.533
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -305.272447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.272447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.272447 (E_RNA)
where:
Base-Base interactions energy: -166.663
where: short stacking energy: -73.318
Base-Backbone interact. energy: 0.597
local terms energy: -103.206927
where:
bonds (distance) C4'-P energy: -16.865
bonds (distance) P-C4' energy: -18.413
flat angles C4'-P-C4' energy: -26.515
flat angles P-C4'-P energy: -19.862
tors. eta vs tors. theta energy: -21.552
Dist. restrs. and SS energy: -36.000 (S_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: 78
Temperature: 1.150000
Total energy: -317.079881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.079881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.879881 (E_RNA)
where:
Base-Base interactions energy: -185.423
where: short stacking energy: -71.118
Base-Backbone interact. energy: -1.189
local terms energy: -96.268590
where:
bonds (distance) C4'-P energy: -21.610
bonds (distance) P-C4' energy: -21.219
flat angles C4'-P-C4' energy: -20.795
flat angles P-C4'-P energy: -16.303
tors. eta vs tors. theta energy: -16.341
Dist. restrs. and SS energy: -34.200 (S_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: 78
Temperature: 1.200000
Total energy: -280.476044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.476044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.276044 (E_RNA)
where:
Base-Base interactions energy: -148.816
where: short stacking energy: -70.275
Base-Backbone interact. energy: -0.247
local terms energy: -97.212936
where:
bonds (distance) C4'-P energy: -19.271
bonds (distance) P-C4' energy: -20.918
flat angles C4'-P-C4' energy: -27.424
flat angles P-C4'-P energy: -11.556
tors. eta vs tors. theta energy: -18.043
Dist. restrs. and SS energy: -34.200 (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: 1
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -278.219531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.219531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.019531 (E_RNA)
where:
Base-Base interactions energy: -153.115
where: short stacking energy: -77.587
Base-Backbone interact. energy: 0.168
local terms energy: -91.072464
where:
bonds (distance) C4'-P energy: -14.438
bonds (distance) P-C4' energy: -22.852
flat angles C4'-P-C4' energy: -22.175
flat angles P-C4'-P energy: -14.718
tors. eta vs tors. theta energy: -16.889
Dist. restrs. and SS energy: -34.200 (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: 2
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -260.004714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.004714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.004714 (E_RNA)
where:
Base-Base interactions energy: -136.997
where: short stacking energy: -70.654
Base-Backbone interact. energy: -0.204
local terms energy: -86.803432
where:
bonds (distance) C4'-P energy: -19.093
bonds (distance) P-C4' energy: -19.772
flat angles C4'-P-C4' energy: -20.201
flat angles P-C4'-P energy: -15.968
tors. eta vs tors. theta energy: -11.769
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -233.691057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.691057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.491057 (E_RNA)
where:
Base-Base interactions energy: -123.166
where: short stacking energy: -52.306
Base-Backbone interact. energy: -0.115
local terms energy: -76.209597
where:
bonds (distance) C4'-P energy: -18.095
bonds (distance) P-C4' energy: -16.975
flat angles C4'-P-C4' energy: -15.956
flat angles P-C4'-P energy: -13.525
tors. eta vs tors. theta energy: -11.659
Dist. restrs. and SS energy: -34.200 (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: 8
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -412.817990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.817990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.417990 (E_RNA)
where:
Base-Base interactions energy: -253.668
where: short stacking energy: -98.039
Base-Backbone interact. energy: -0.868
local terms energy: -107.881712
where:
bonds (distance) C4'-P energy: -20.893
bonds (distance) P-C4' energy: -22.437
flat angles C4'-P-C4' energy: -22.118
flat angles P-C4'-P energy: -14.396
tors. eta vs tors. theta energy: -28.038
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -407.251379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.251379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.851379 (E_RNA)
where:
Base-Base interactions energy: -248.959
where: short stacking energy: -103.310
Base-Backbone interact. energy: -0.910
local terms energy: -106.982183
where:
bonds (distance) C4'-P energy: -21.713
bonds (distance) P-C4' energy: -22.507
flat angles C4'-P-C4' energy: -24.212
flat angles P-C4'-P energy: -8.907
tors. eta vs tors. theta energy: -29.643
Dist. restrs. and SS energy: -50.400 (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: 3
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -386.777143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.777143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.177143 (E_RNA)
where:
Base-Base interactions energy: -241.369
where: short stacking energy: -95.530
Base-Backbone interact. energy: -0.878
local terms energy: -95.930257
where:
bonds (distance) C4'-P energy: -15.639
bonds (distance) P-C4' energy: -18.307
flat angles C4'-P-C4' energy: -24.428
flat angles P-C4'-P energy: -14.347
tors. eta vs tors. theta energy: -23.210
Dist. restrs. and SS energy: -48.600 (S_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: -361.694843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.694843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.294843 (E_RNA)
where:
Base-Base interactions energy: -223.283
where: short stacking energy: -83.248
Base-Backbone interact. energy: -0.528
local terms energy: -87.483319
where:
bonds (distance) C4'-P energy: -15.554
bonds (distance) P-C4' energy: -20.387
flat angles C4'-P-C4' energy: -18.686
flat angles P-C4'-P energy: -11.856
tors. eta vs tors. theta energy: -21.001
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -309.552331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.552331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.552331 (E_RNA)
where:
Base-Base interactions energy: -172.813
where: short stacking energy: -74.565
Base-Backbone interact. energy: -0.652
local terms energy: -91.087410
where:
bonds (distance) C4'-P energy: -22.371
bonds (distance) P-C4' energy: -23.564
flat angles C4'-P-C4' energy: -18.320
flat angles P-C4'-P energy: -12.032
tors. eta vs tors. theta energy: -14.800
Dist. restrs. and SS energy: -45.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -339.549807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.549807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.549807 (E_RNA)
where:
Base-Base interactions energy: -201.604
where: short stacking energy: -92.520
Base-Backbone interact. energy: -0.270
local terms energy: -101.675859
where:
bonds (distance) C4'-P energy: -17.738
bonds (distance) P-C4' energy: -22.023
flat angles C4'-P-C4' energy: -24.566
flat angles P-C4'-P energy: -12.078
tors. eta vs tors. theta energy: -25.272
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -280.605877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.605877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.605877 (E_RNA)
where:
Base-Base interactions energy: -162.178
where: short stacking energy: -65.281
Base-Backbone interact. energy: -0.120
local terms energy: -82.307737
where:
bonds (distance) C4'-P energy: -18.513
bonds (distance) P-C4' energy: -16.524
flat angles C4'-P-C4' energy: -16.887
flat angles P-C4'-P energy: -16.571
tors. eta vs tors. theta energy: -13.813
Dist. restrs. and SS energy: -36.000 (S_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: 79
Temperature: 1.250000
Total energy: -282.059345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.059345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.659345 (E_RNA)
where:
Base-Base interactions energy: -158.170
where: short stacking energy: -63.978
Base-Backbone interact. energy: -0.074
local terms energy: -91.415505
where:
bonds (distance) C4'-P energy: -18.405
bonds (distance) P-C4' energy: -24.303
flat angles C4'-P-C4' energy: -11.782
flat angles P-C4'-P energy: -18.182
tors. eta vs tors. theta energy: -18.743
Dist. restrs. and SS energy: -32.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -269.291726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.291726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.291726 (E_RNA)
where:
Base-Base interactions energy: -139.640
where: short stacking energy: -59.184
Base-Backbone interact. energy: -0.281
local terms energy: -93.370818
where:
bonds (distance) C4'-P energy: -27.248
bonds (distance) P-C4' energy: -18.591
flat angles C4'-P-C4' energy: -16.571
flat angles P-C4'-P energy: -16.465
tors. eta vs tors. theta energy: -14.495
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -265.187058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.187058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.187058 (E_RNA)
where:
Base-Base interactions energy: -133.269
where: short stacking energy: -56.865
Base-Backbone interact. energy: -0.224
local terms energy: -95.694754
where:
bonds (distance) C4'-P energy: -15.395
bonds (distance) P-C4' energy: -21.793
flat angles C4'-P-C4' energy: -23.079
flat angles P-C4'-P energy: -15.053
tors. eta vs tors. theta energy: -20.375
Dist. restrs. and SS energy: -36.000 (S_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: 80
Temperature: 0.900000
Total energy: -417.375547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.375547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.975547 (E_RNA)
where:
Base-Base interactions energy: -252.962
where: short stacking energy: -102.834
Base-Backbone interact. energy: -0.425
local terms energy: -113.589389
where:
bonds (distance) C4'-P energy: -22.703
bonds (distance) P-C4' energy: -21.557
flat angles C4'-P-C4' energy: -20.754
flat angles P-C4'-P energy: -17.135
tors. eta vs tors. theta energy: -31.440
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -414.649469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.649469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.249469 (E_RNA)
where:
Base-Base interactions energy: -244.014
where: short stacking energy: -101.071
Base-Backbone interact. energy: -0.555
local terms energy: -119.681033
where:
bonds (distance) C4'-P energy: -26.768
bonds (distance) P-C4' energy: -19.440
flat angles C4'-P-C4' energy: -25.679
flat angles P-C4'-P energy: -20.154
tors. eta vs tors. theta energy: -27.641
Dist. restrs. and SS energy: -50.400 (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: 9
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -383.036580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.036580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.636580 (E_RNA)
where:
Base-Base interactions energy: -235.402
where: short stacking energy: -90.151
Base-Backbone interact. energy: -0.553
local terms energy: -96.682248
where:
bonds (distance) C4'-P energy: -18.727
bonds (distance) P-C4' energy: -17.088
flat angles C4'-P-C4' energy: -26.621
flat angles P-C4'-P energy: -15.413
tors. eta vs tors. theta energy: -18.833
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -381.944231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.944231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.344231 (E_RNA)
where:
Base-Base interactions energy: -238.502
where: short stacking energy: -96.704
Base-Backbone interact. energy: -0.447
local terms energy: -94.395887
where:
bonds (distance) C4'-P energy: -20.818
bonds (distance) P-C4' energy: -17.570
flat angles C4'-P-C4' energy: -19.636
flat angles P-C4'-P energy: -11.441
tors. eta vs tors. theta energy: -24.930
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -361.091602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.091602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.091602 (E_RNA)
where:
Base-Base interactions energy: -213.382
where: short stacking energy: -98.180
Base-Backbone interact. energy: -0.154
local terms energy: -111.556044
where:
bonds (distance) C4'-P energy: -18.811
bonds (distance) P-C4' energy: -26.056
flat angles C4'-P-C4' energy: -20.430
flat angles P-C4'-P energy: -15.692
tors. eta vs tors. theta energy: -30.567
Dist. restrs. and SS energy: -36.000 (S_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: 80
Temperature: 1.150000
Total energy: -327.437452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.437452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.637452 (E_RNA)
where:
Base-Base interactions energy: -178.578
where: short stacking energy: -70.700
Base-Backbone interact. energy: -0.407
local terms energy: -101.652357
where:
bonds (distance) C4'-P energy: -23.253
bonds (distance) P-C4' energy: -20.830
flat angles C4'-P-C4' energy: -21.376
flat angles P-C4'-P energy: -16.765
tors. eta vs tors. theta energy: -19.428
Dist. restrs. and SS energy: -46.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -287.811863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.811863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.811863 (E_RNA)
where:
Base-Base interactions energy: -162.177
where: short stacking energy: -73.135
Base-Backbone interact. energy: 1.765
local terms energy: -91.399095
where:
bonds (distance) C4'-P energy: -22.255
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -22.584
flat angles P-C4'-P energy: -15.885
tors. eta vs tors. theta energy: -13.789
Dist. restrs. and SS energy: -36.000 (S_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: 80
Temperature: 1.250000
Total energy: -268.491469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.491469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.491469 (E_RNA)
where:
Base-Base interactions energy: -138.194
where: short stacking energy: -64.130
Base-Backbone interact. energy: -1.346
local terms energy: -92.951308
where:
bonds (distance) C4'-P energy: -20.413
bonds (distance) P-C4' energy: -26.333
flat angles C4'-P-C4' energy: -24.186
flat angles P-C4'-P energy: -12.782
tors. eta vs tors. theta energy: -9.238
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -286.231441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.231441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.231441 (E_RNA)
where:
Base-Base interactions energy: -159.181
where: short stacking energy: -77.597
Base-Backbone interact. energy: -0.118
local terms energy: -90.931658
where:
bonds (distance) C4'-P energy: -18.769
bonds (distance) P-C4' energy: -15.136
flat angles C4'-P-C4' energy: -20.668
flat angles P-C4'-P energy: -14.393
tors. eta vs tors. theta energy: -21.965
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -290.570137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.570137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.370137 (E_RNA)
where:
Base-Base interactions energy: -168.072
where: short stacking energy: -68.809
Base-Backbone interact. energy: -0.144
local terms energy: -88.154707
where:
bonds (distance) C4'-P energy: -22.467
bonds (distance) P-C4' energy: -18.881
flat angles C4'-P-C4' energy: -19.167
flat angles P-C4'-P energy: -12.402
tors. eta vs tors. theta energy: -15.239
Dist. restrs. and SS energy: -34.200 (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: 8
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -419.535302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.535302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.135302 (E_RNA)
where:
Base-Base interactions energy: -255.331
where: short stacking energy: -105.615
Base-Backbone interact. energy: -0.537
local terms energy: -113.266809
where:
bonds (distance) C4'-P energy: -21.989
bonds (distance) P-C4' energy: -21.354
flat angles C4'-P-C4' energy: -25.035
flat angles P-C4'-P energy: -16.681
tors. eta vs tors. theta energy: -28.208
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -408.469381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.469381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.069381 (E_RNA)
where:
Base-Base interactions energy: -251.024
where: short stacking energy: -101.567
Base-Backbone interact. energy: -1.585
local terms energy: -105.460577
where:
bonds (distance) C4'-P energy: -22.078
bonds (distance) P-C4' energy: -19.919
flat angles C4'-P-C4' energy: -22.975
flat angles P-C4'-P energy: -14.992
tors. eta vs tors. theta energy: -25.497
Dist. restrs. and SS energy: -50.400 (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: 9
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -372.159126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.159126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.559126 (E_RNA)
where:
Base-Base interactions energy: -218.660
where: short stacking energy: -85.641
Base-Backbone interact. energy: -1.929
local terms energy: -102.970142
where:
bonds (distance) C4'-P energy: -21.147
bonds (distance) P-C4' energy: -20.771
flat angles C4'-P-C4' energy: -23.080
flat angles P-C4'-P energy: -16.279
tors. eta vs tors. theta energy: -21.694
Dist. restrs. and SS energy: -48.600 (S_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: 81
Temperature: 1.050000
Total energy: -392.133500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.133500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.733500 (E_RNA)
where:
Base-Base interactions energy: -239.233
where: short stacking energy: -87.046
Base-Backbone interact. energy: -1.353
local terms energy: -101.147267
where:
bonds (distance) C4'-P energy: -15.943
bonds (distance) P-C4' energy: -20.124
flat angles C4'-P-C4' energy: -21.876
flat angles P-C4'-P energy: -20.970
tors. eta vs tors. theta energy: -22.233
Dist. restrs. and SS energy: -50.400 (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: 6
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -318.306815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.306815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.306815 (E_RNA)
where:
Base-Base interactions energy: -188.055
where: short stacking energy: -90.580
Base-Backbone interact. energy: -0.369
local terms energy: -93.882664
where:
bonds (distance) C4'-P energy: -12.412
bonds (distance) P-C4' energy: -21.037
flat angles C4'-P-C4' energy: -21.820
flat angles P-C4'-P energy: -13.062
tors. eta vs tors. theta energy: -25.552
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -313.957661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.957661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.957661 (E_RNA)
where:
Base-Base interactions energy: -176.726
where: short stacking energy: -80.561
Base-Backbone interact. energy: -0.487
local terms energy: -100.744491
where:
bonds (distance) C4'-P energy: -24.206
bonds (distance) P-C4' energy: -13.430
flat angles C4'-P-C4' energy: -23.848
flat angles P-C4'-P energy: -14.560
tors. eta vs tors. theta energy: -24.700
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -303.417488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.417488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.417488 (E_RNA)
where:
Base-Base interactions energy: -168.375
where: short stacking energy: -75.438
Base-Backbone interact. energy: -0.069
local terms energy: -98.974123
where:
bonds (distance) C4'-P energy: -20.396
bonds (distance) P-C4' energy: -21.770
flat angles C4'-P-C4' energy: -19.808
flat angles P-C4'-P energy: -15.505
tors. eta vs tors. theta energy: -21.496
Dist. restrs. and SS energy: -36.000 (S_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: 81
Temperature: 1.250000
Total energy: -265.574278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.574278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.574278 (E_RNA)
where:
Base-Base interactions energy: -148.473
where: short stacking energy: -52.382
Base-Backbone interact. energy: -0.385
local terms energy: -80.715933
where:
bonds (distance) C4'-P energy: -18.985
bonds (distance) P-C4' energy: -23.927
flat angles C4'-P-C4' energy: -20.249
flat angles P-C4'-P energy: -11.867
tors. eta vs tors. theta energy: -5.688
Dist. restrs. and SS energy: -36.000 (S_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: 81
Temperature: 1.300000
Total energy: -268.364881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.364881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.364881 (E_RNA)
where:
Base-Base interactions energy: -153.413
where: short stacking energy: -64.988
Base-Backbone interact. energy: -0.081
local terms energy: -78.870157
where:
bonds (distance) C4'-P energy: -18.897
bonds (distance) P-C4' energy: -18.738
flat angles C4'-P-C4' energy: -19.692
flat angles P-C4'-P energy: -8.580
tors. eta vs tors. theta energy: -12.963
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -265.865906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.865906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.865906 (E_RNA)
where:
Base-Base interactions energy: -140.772
where: short stacking energy: -56.698
Base-Backbone interact. energy: -0.580
local terms energy: -88.513823
where:
bonds (distance) C4'-P energy: -23.986
bonds (distance) P-C4' energy: -23.048
flat angles C4'-P-C4' energy: -17.638
flat angles P-C4'-P energy: -10.301
tors. eta vs tors. theta energy: -13.540
Dist. restrs. and SS energy: -36.000 (S_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: 82
Temperature: 0.900000
Total energy: -417.609227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.609227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.009227 (E_RNA)
where:
Base-Base interactions energy: -253.536
where: short stacking energy: -95.800
Base-Backbone interact. energy: -0.602
local terms energy: -114.871099
where:
bonds (distance) C4'-P energy: -20.893
bonds (distance) P-C4' energy: -20.859
flat angles C4'-P-C4' energy: -23.592
flat angles P-C4'-P energy: -18.308
tors. eta vs tors. theta energy: -31.219
Dist. restrs. and SS energy: -48.600 (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: 10
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -412.992201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.992201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.592201 (E_RNA)
where:
Base-Base interactions energy: -244.322
where: short stacking energy: -98.558
Base-Backbone interact. energy: -0.159
local terms energy: -118.111736
where:
bonds (distance) C4'-P energy: -24.908
bonds (distance) P-C4' energy: -23.355
flat angles C4'-P-C4' energy: -22.947
flat angles P-C4'-P energy: -18.040
tors. eta vs tors. theta energy: -28.861
Dist. restrs. and SS energy: -50.400 (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: 3
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -408.735673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.735673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.335673 (E_RNA)
where:
Base-Base interactions energy: -260.134
where: short stacking energy: -109.552
Base-Backbone interact. energy: 0.363
local terms energy: -98.565076
where:
bonds (distance) C4'-P energy: -17.292
bonds (distance) P-C4' energy: -16.749
flat angles C4'-P-C4' energy: -19.344
flat angles P-C4'-P energy: -17.790
tors. eta vs tors. theta energy: -27.391
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -369.710568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.710568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.310568 (E_RNA)
where:
Base-Base interactions energy: -217.758
where: short stacking energy: -92.055
Base-Backbone interact. energy: -0.266
local terms energy: -101.286704
where:
bonds (distance) C4'-P energy: -25.084
bonds (distance) P-C4' energy: -19.408
flat angles C4'-P-C4' energy: -22.835
flat angles P-C4'-P energy: -10.293
tors. eta vs tors. theta energy: -23.666
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -324.815927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.815927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.615927 (E_RNA)
where:
Base-Base interactions energy: -191.393
where: short stacking energy: -79.357
Base-Backbone interact. energy: -0.511
local terms energy: -98.712060
where:
bonds (distance) C4'-P energy: -21.043
bonds (distance) P-C4' energy: -21.443
flat angles C4'-P-C4' energy: -24.669
flat angles P-C4'-P energy: -11.143
tors. eta vs tors. theta energy: -20.414
Dist. restrs. and SS energy: -34.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -307.173155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.173155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.173155 (E_RNA)
where:
Base-Base interactions energy: -186.520
where: short stacking energy: -81.361
Base-Backbone interact. energy: 1.097
local terms energy: -85.750155
where:
bonds (distance) C4'-P energy: -14.841
bonds (distance) P-C4' energy: -23.350
flat angles C4'-P-C4' energy: -16.387
flat angles P-C4'-P energy: -14.179
tors. eta vs tors. theta energy: -16.993
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -291.839922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.839922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.839922 (E_RNA)
where:
Base-Base interactions energy: -173.498
where: short stacking energy: -73.740
Base-Backbone interact. energy: 2.563
local terms energy: -84.904269
where:
bonds (distance) C4'-P energy: -17.150
bonds (distance) P-C4' energy: -19.677
flat angles C4'-P-C4' energy: -18.833
flat angles P-C4'-P energy: -13.217
tors. eta vs tors. theta energy: -16.028
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -279.011365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.011365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.811365 (E_RNA)
where:
Base-Base interactions energy: -162.538
where: short stacking energy: -73.524
Base-Backbone interact. energy: -0.416
local terms energy: -72.857203
where:
bonds (distance) C4'-P energy: -12.645
bonds (distance) P-C4' energy: -19.075
flat angles C4'-P-C4' energy: -14.231
flat angles P-C4'-P energy: -15.791
tors. eta vs tors. theta energy: -11.115
Dist. restrs. and SS energy: -43.200 (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: 2
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -252.896996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.896996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.896996 (E_RNA)
where:
Base-Base interactions energy: -137.904
where: short stacking energy: -53.199
Base-Backbone interact. energy: -0.391
local terms energy: -78.602044
where:
bonds (distance) C4'-P energy: -21.335
bonds (distance) P-C4' energy: -19.074
flat angles C4'-P-C4' energy: -23.129
flat angles P-C4'-P energy: -8.445
tors. eta vs tors. theta energy: -6.619
Dist. restrs. and SS energy: -36.000 (S_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: 82
Temperature: 1.350000
Total energy: -255.879729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.879729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.479729 (E_RNA)
where:
Base-Base interactions energy: -137.349
where: short stacking energy: -60.354
Base-Backbone interact. energy: -0.305
local terms energy: -85.825919
where:
bonds (distance) C4'-P energy: -22.615
bonds (distance) P-C4' energy: -17.487
flat angles C4'-P-C4' energy: -18.853
flat angles P-C4'-P energy: -17.619
tors. eta vs tors. theta energy: -9.251
Dist. restrs. and SS energy: -32.400 (S_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: 83
Temperature: 0.900000
Total energy: -412.050452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.050452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.650452 (E_RNA)
where:
Base-Base interactions energy: -255.346
where: short stacking energy: -105.233
Base-Backbone interact. energy: -0.553
local terms energy: -105.750884
where:
bonds (distance) C4'-P energy: -21.552
bonds (distance) P-C4' energy: -20.278
flat angles C4'-P-C4' energy: -17.390
flat angles P-C4'-P energy: -15.923
tors. eta vs tors. theta energy: -30.608
Dist. restrs. and SS energy: -50.400 (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: 83
Temperature: 0.950000
Total energy: -410.384906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.384906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.984906 (E_RNA)
where:
Base-Base interactions energy: -247.850
where: short stacking energy: -95.157
Base-Backbone interact. energy: -0.236
local terms energy: -111.898339
where:
bonds (distance) C4'-P energy: -23.998
bonds (distance) P-C4' energy: -23.486
flat angles C4'-P-C4' energy: -21.016
flat angles P-C4'-P energy: -14.929
tors. eta vs tors. theta energy: -28.469
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -401.105860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.105860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.705860 (E_RNA)
where:
Base-Base interactions energy: -245.239
where: short stacking energy: -96.460
Base-Backbone interact. energy: -1.223
local terms energy: -104.244006
where:
bonds (distance) C4'-P energy: -24.405
bonds (distance) P-C4' energy: -20.138
flat angles C4'-P-C4' energy: -24.641
flat angles P-C4'-P energy: -12.454
tors. eta vs tors. theta energy: -22.606
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -377.116771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.116771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.516771 (E_RNA)
where:
Base-Base interactions energy: -228.517
where: short stacking energy: -84.012
Base-Backbone interact. energy: -0.691
local terms energy: -99.308288
where:
bonds (distance) C4'-P energy: -22.148
bonds (distance) P-C4' energy: -18.252
flat angles C4'-P-C4' energy: -24.221
flat angles P-C4'-P energy: -15.610
tors. eta vs tors. theta energy: -19.077
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -314.462382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.462382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.462382 (E_RNA)
where:
Base-Base interactions energy: -174.975
where: short stacking energy: -67.330
Base-Backbone interact. energy: -0.331
local terms energy: -103.156847
where:
bonds (distance) C4'-P energy: -20.017
bonds (distance) P-C4' energy: -23.775
flat angles C4'-P-C4' energy: -26.768
flat angles P-C4'-P energy: -15.353
tors. eta vs tors. theta energy: -17.244
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -289.131127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.131127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.131127 (E_RNA)
where:
Base-Base interactions energy: -159.638
where: short stacking energy: -68.794
Base-Backbone interact. energy: -0.120
local terms energy: -93.373767
where:
bonds (distance) C4'-P energy: -22.222
bonds (distance) P-C4' energy: -18.740
flat angles C4'-P-C4' energy: -23.917
flat angles P-C4'-P energy: -14.239
tors. eta vs tors. theta energy: -14.256
Dist. restrs. and SS energy: -36.000 (S_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: 83
Temperature: 1.200000
Total energy: -276.694661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.694661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.094661 (E_RNA)
where:
Base-Base interactions energy: -156.285
where: short stacking energy: -82.296
Base-Backbone interact. energy: -0.027
local terms energy: -89.782896
where:
bonds (distance) C4'-P energy: -16.046
bonds (distance) P-C4' energy: -22.313
flat angles C4'-P-C4' energy: -22.456
flat angles P-C4'-P energy: -8.055
tors. eta vs tors. theta energy: -20.913
Dist. restrs. and SS energy: -30.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -292.785639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.785639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.385639 (E_RNA)
where:
Base-Base interactions energy: -165.174
where: short stacking energy: -53.212
Base-Backbone interact. energy: -0.528
local terms energy: -76.684080
where:
bonds (distance) C4'-P energy: -16.319
bonds (distance) P-C4' energy: -24.537
flat angles C4'-P-C4' energy: -18.277
flat angles P-C4'-P energy: -13.229
tors. eta vs tors. theta energy: -4.322
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -281.147245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.147245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.947245 (E_RNA)
where:
Base-Base interactions energy: -164.078
where: short stacking energy: -72.026
Base-Backbone interact. energy: -0.353
local terms energy: -82.516087
where:
bonds (distance) C4'-P energy: -19.367
bonds (distance) P-C4' energy: -21.503
flat angles C4'-P-C4' energy: -20.210
flat angles P-C4'-P energy: -8.253
tors. eta vs tors. theta energy: -13.182
Dist. restrs. and SS energy: -34.200 (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: 1
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -244.957046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.957046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.957046 (E_RNA)
where:
Base-Base interactions energy: -134.099
where: short stacking energy: -63.310
Base-Backbone interact. energy: -0.800
local terms energy: -74.057955
where:
bonds (distance) C4'-P energy: -9.642
bonds (distance) P-C4' energy: -22.698
flat angles C4'-P-C4' energy: -19.243
flat angles P-C4'-P energy: -13.825
tors. eta vs tors. theta energy: -8.650
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. 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: -413.105807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.105807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.705807 (E_RNA)
where:
Base-Base interactions energy: -253.753
where: short stacking energy: -98.226
Base-Backbone interact. energy: -0.572
local terms energy: -108.380992
where:
bonds (distance) C4'-P energy: -25.320
bonds (distance) P-C4' energy: -24.095
flat angles C4'-P-C4' energy: -24.695
flat angles P-C4'-P energy: -10.636
tors. eta vs tors. theta energy: -23.635
Dist. restrs. and SS energy: -50.400 (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: 8
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -413.597473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.597473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.197473 (E_RNA)
where:
Base-Base interactions energy: -248.873
where: short stacking energy: -94.807
Base-Backbone interact. energy: -1.311
local terms energy: -113.013229
where:
bonds (distance) C4'-P energy: -21.049
bonds (distance) P-C4' energy: -26.960
flat angles C4'-P-C4' energy: -20.848
flat angles P-C4'-P energy: -14.853
tors. eta vs tors. theta energy: -29.303
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -406.513635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.513635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.913635 (E_RNA)
where:
Base-Base interactions energy: -247.881
where: short stacking energy: -102.968
Base-Backbone interact. energy: -1.089
local terms energy: -108.943300
where:
bonds (distance) C4'-P energy: -19.660
bonds (distance) P-C4' energy: -25.095
flat angles C4'-P-C4' energy: -22.481
flat angles P-C4'-P energy: -13.049
tors. eta vs tors. theta energy: -28.659
Dist. restrs. and SS energy: -48.600 (S_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: -377.357720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.357720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.957720 (E_RNA)
where:
Base-Base interactions energy: -215.986
where: short stacking energy: -87.513
Base-Backbone interact. energy: -0.313
local terms energy: -110.658725
where:
bonds (distance) C4'-P energy: -18.628
bonds (distance) P-C4' energy: -24.124
flat angles C4'-P-C4' energy: -25.243
flat angles P-C4'-P energy: -14.447
tors. eta vs tors. theta energy: -28.217
Dist. restrs. and SS energy: -50.400 (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: 4
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -295.776668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.776668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.776668 (E_RNA)
where:
Base-Base interactions energy: -167.395
where: short stacking energy: -68.306
Base-Backbone interact. energy: 0.755
local terms energy: -93.136687
where:
bonds (distance) C4'-P energy: -18.870
bonds (distance) P-C4' energy: -20.991
flat angles C4'-P-C4' energy: -20.074
flat angles P-C4'-P energy: -15.160
tors. eta vs tors. theta energy: -18.042
Dist. restrs. and SS energy: -36.000 (S_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: 84
Temperature: 1.150000
Total energy: -319.471172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.471172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.271172 (E_RNA)
where:
Base-Base interactions energy: -191.307
where: short stacking energy: -82.912
Base-Backbone interact. energy: -1.755
local terms energy: -92.209600
where:
bonds (distance) C4'-P energy: -18.570
bonds (distance) P-C4' energy: -17.642
flat angles C4'-P-C4' energy: -24.359
flat angles P-C4'-P energy: -11.837
tors. eta vs tors. theta energy: -19.802
Dist. restrs. and SS energy: -34.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -328.369721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.369721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.969721 (E_RNA)
where:
Base-Base interactions energy: -182.368
where: short stacking energy: -75.479
Base-Backbone interact. energy: -0.376
local terms energy: -95.225682
where:
bonds (distance) C4'-P energy: -19.615
bonds (distance) P-C4' energy: -21.603
flat angles C4'-P-C4' energy: -24.460
flat angles P-C4'-P energy: -14.115
tors. eta vs tors. theta energy: -15.433
Dist. restrs. and SS energy: -50.400 (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: 6
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -276.475822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.475822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.475822 (E_RNA)
where:
Base-Base interactions energy: -153.450
where: short stacking energy: -71.746
Base-Backbone interact. energy: 1.621
local terms energy: -88.647081
where:
bonds (distance) C4'-P energy: -20.559
bonds (distance) P-C4' energy: -21.362
flat angles C4'-P-C4' energy: -18.524
flat angles P-C4'-P energy: -10.318
tors. eta vs tors. theta energy: -17.884
Dist. restrs. and SS energy: -36.000 (S_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: 84
Temperature: 1.300000
Total energy: -265.945485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.945485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.945485 (E_RNA)
where:
Base-Base interactions energy: -142.340
where: short stacking energy: -74.332
Base-Backbone interact. energy: -0.028
local terms energy: -87.578267
where:
bonds (distance) C4'-P energy: -15.715
bonds (distance) P-C4' energy: -22.792
flat angles C4'-P-C4' energy: -16.745
flat angles P-C4'-P energy: -16.704
tors. eta vs tors. theta energy: -15.623
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -260.721276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.721276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.721276 (E_RNA)
where:
Base-Base interactions energy: -139.973
where: short stacking energy: -59.143
Base-Backbone interact. energy: -0.066
local terms energy: -84.682948
where:
bonds (distance) C4'-P energy: -21.656
bonds (distance) P-C4' energy: -22.567
flat angles C4'-P-C4' energy: -20.523
flat angles P-C4'-P energy: -13.115
tors. eta vs tors. theta energy: -6.823
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. 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: -414.725113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.725113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.325113 (E_RNA)
where:
Base-Base interactions energy: -254.607
where: short stacking energy: -95.492
Base-Backbone interact. energy: -0.269
local terms energy: -109.449422
where:
bonds (distance) C4'-P energy: -19.527
bonds (distance) P-C4' energy: -26.403
flat angles C4'-P-C4' energy: -19.971
flat angles P-C4'-P energy: -16.409
tors. eta vs tors. theta energy: -27.140
Dist. restrs. and SS energy: -50.400 (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: 8
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -408.409925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.409925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.009925 (E_RNA)
where:
Base-Base interactions energy: -252.306
where: short stacking energy: -107.540
Base-Backbone interact. energy: -1.355
local terms energy: -104.348341
where:
bonds (distance) C4'-P energy: -16.717
bonds (distance) P-C4' energy: -20.307
flat angles C4'-P-C4' energy: -22.590
flat angles P-C4'-P energy: -19.288
tors. eta vs tors. theta energy: -25.446
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -406.575783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.575783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.175783 (E_RNA)
where:
Base-Base interactions energy: -243.948
where: short stacking energy: -92.472
Base-Backbone interact. energy: -1.235
local terms energy: -110.993420
where:
bonds (distance) C4'-P energy: -20.948
bonds (distance) P-C4' energy: -25.815
flat angles C4'-P-C4' energy: -20.415
flat angles P-C4'-P energy: -18.457
tors. eta vs tors. theta energy: -25.360
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -373.842209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.842209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.242209 (E_RNA)
where:
Base-Base interactions energy: -227.897
where: short stacking energy: -94.342
Base-Backbone interact. energy: -0.220
local terms energy: -97.125065
where:
bonds (distance) C4'-P energy: -21.973
bonds (distance) P-C4' energy: -16.281
flat angles C4'-P-C4' energy: -21.692
flat angles P-C4'-P energy: -14.585
tors. eta vs tors. theta energy: -22.594
Dist. restrs. and SS energy: -48.600 (S_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: 85
Temperature: 1.100000
Total energy: -319.879945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.879945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.879945 (E_RNA)
where:
Base-Base interactions energy: -176.021
where: short stacking energy: -88.236
Base-Backbone interact. energy: -0.037
local terms energy: -107.822411
where:
bonds (distance) C4'-P energy: -22.636
bonds (distance) P-C4' energy: -24.487
flat angles C4'-P-C4' energy: -19.206
flat angles P-C4'-P energy: -18.128
tors. eta vs tors. theta energy: -23.365
Dist. restrs. and SS energy: -36.000 (S_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: 85
Temperature: 1.150000
Total energy: -327.472796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.472796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.072796 (E_RNA)
where:
Base-Base interactions energy: -179.641
where: short stacking energy: -67.299
Base-Backbone interact. energy: 1.193
local terms energy: -98.624722
where:
bonds (distance) C4'-P energy: -13.375
bonds (distance) P-C4' energy: -24.169
flat angles C4'-P-C4' energy: -21.108
flat angles P-C4'-P energy: -19.655
tors. eta vs tors. theta energy: -20.318
Dist. restrs. and SS energy: -50.400 (S_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: 85
Temperature: 1.200000
Total energy: -308.780535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.780535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.780535 (E_RNA)
where:
Base-Base interactions energy: -180.135
where: short stacking energy: -70.645
Base-Backbone interact. energy: -0.577
local terms energy: -92.068549
where:
bonds (distance) C4'-P energy: -18.691
bonds (distance) P-C4' energy: -19.579
flat angles C4'-P-C4' energy: -15.091
flat angles P-C4'-P energy: -15.032
tors. eta vs tors. theta energy: -23.676
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -287.241374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.241374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.041374 (E_RNA)
where:
Base-Base interactions energy: -153.569
where: short stacking energy: -71.461
Base-Backbone interact. energy: 0.149
local terms energy: -90.620777
where:
bonds (distance) C4'-P energy: -19.736
bonds (distance) P-C4' energy: -20.534
flat angles C4'-P-C4' energy: -19.496
flat angles P-C4'-P energy: -11.164
tors. eta vs tors. theta energy: -19.691
Dist. restrs. and SS energy: -43.200 (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: 1
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -243.802837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.802837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.602837 (E_RNA)
where:
Base-Base interactions energy: -128.480
where: short stacking energy: -59.075
Base-Backbone interact. energy: -0.563
local terms energy: -80.559651
where:
bonds (distance) C4'-P energy: -10.111
bonds (distance) P-C4' energy: -25.216
flat angles C4'-P-C4' energy: -21.107
flat angles P-C4'-P energy: -19.434
tors. eta vs tors. theta energy: -4.692
Dist. restrs. and SS energy: -34.200 (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: 2
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -260.009311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.009311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.809311 (E_RNA)
where:
Base-Base interactions energy: -137.739
where: short stacking energy: -61.882
Base-Backbone interact. energy: 1.285
local terms energy: -89.354765
where:
bonds (distance) C4'-P energy: -21.172
bonds (distance) P-C4' energy: -16.674
flat angles C4'-P-C4' energy: -22.724
flat angles P-C4'-P energy: -12.012
tors. eta vs tors. theta energy: -16.774
Dist. restrs. and SS energy: -34.200 (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: 8
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -418.449189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.449189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.049189 (E_RNA)
where:
Base-Base interactions energy: -248.219
where: short stacking energy: -105.711
Base-Backbone interact. energy: -0.276
local terms energy: -119.553728
where:
bonds (distance) C4'-P energy: -23.738
bonds (distance) P-C4' energy: -26.099
flat angles C4'-P-C4' energy: -25.287
flat angles P-C4'-P energy: -15.160
tors. eta vs tors. theta energy: -29.269
Dist. restrs. and SS energy: -50.400 (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: 86
Temperature: 0.950000
Total energy: -407.169677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.169677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.769677 (E_RNA)
where:
Base-Base interactions energy: -249.831
where: short stacking energy: -94.096
Base-Backbone interact. energy: -1.309
local terms energy: -105.630318
where:
bonds (distance) C4'-P energy: -20.305
bonds (distance) P-C4' energy: -21.101
flat angles C4'-P-C4' energy: -21.760
flat angles P-C4'-P energy: -14.071
tors. eta vs tors. theta energy: -28.394
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -401.663184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.663184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.263184 (E_RNA)
where:
Base-Base interactions energy: -244.349
where: short stacking energy: -94.309
Base-Backbone interact. energy: 0.474
local terms energy: -107.388704
where:
bonds (distance) C4'-P energy: -22.012
bonds (distance) P-C4' energy: -21.313
flat angles C4'-P-C4' energy: -23.538
flat angles P-C4'-P energy: -16.533
tors. eta vs tors. theta energy: -23.994
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -373.692839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.692839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.092839 (E_RNA)
where:
Base-Base interactions energy: -219.489
where: short stacking energy: -84.761
Base-Backbone interact. energy: -0.882
local terms energy: -104.722344
where:
bonds (distance) C4'-P energy: -21.407
bonds (distance) P-C4' energy: -24.811
flat angles C4'-P-C4' energy: -19.388
flat angles P-C4'-P energy: -15.242
tors. eta vs tors. theta energy: -23.876
Dist. restrs. and SS energy: -48.600 (S_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: 86
Temperature: 1.100000
Total energy: -322.772456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.772456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.772456 (E_RNA)
where:
Base-Base interactions energy: -176.526
where: short stacking energy: -96.090
Base-Backbone interact. energy: -0.614
local terms energy: -109.633229
where:
bonds (distance) C4'-P energy: -18.272
bonds (distance) P-C4' energy: -23.965
flat angles C4'-P-C4' energy: -26.136
flat angles P-C4'-P energy: -18.136
tors. eta vs tors. theta energy: -23.124
Dist. restrs. and SS energy: -36.000 (S_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: 86
Temperature: 1.150000
Total energy: -327.961256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.961256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.561256 (E_RNA)
where:
Base-Base interactions energy: -196.423
where: short stacking energy: -85.016
Base-Backbone interact. energy: -0.539
local terms energy: -80.599087
where:
bonds (distance) C4'-P energy: -8.308
bonds (distance) P-C4' energy: -19.906
flat angles C4'-P-C4' energy: -23.031
flat angles P-C4'-P energy: -10.220
tors. eta vs tors. theta energy: -19.133
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -316.208293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.208293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.608293 (E_RNA)
where:
Base-Base interactions energy: -177.583
where: short stacking energy: -81.643
Base-Backbone interact. energy: -0.352
local terms energy: -98.673292
where:
bonds (distance) C4'-P energy: -20.309
bonds (distance) P-C4' energy: -18.434
flat angles C4'-P-C4' energy: -24.164
flat angles P-C4'-P energy: -17.274
tors. eta vs tors. theta energy: -18.493
Dist. restrs. and SS energy: -39.600 (S_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: 86
Temperature: 1.250000
Total energy: -275.251299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.251299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.651299 (E_RNA)
where:
Base-Base interactions energy: -159.159
where: short stacking energy: -58.742
Base-Backbone interact. energy: 2.178
local terms energy: -78.670435
where:
bonds (distance) C4'-P energy: -16.370
bonds (distance) P-C4' energy: -21.349
flat angles C4'-P-C4' energy: -11.832
flat angles P-C4'-P energy: -19.418
tors. eta vs tors. theta energy: -9.701
Dist. restrs. and SS energy: -39.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -270.963746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.963746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.963746 (E_RNA)
where:
Base-Base interactions energy: -145.391
where: short stacking energy: -64.708
Base-Backbone interact. energy: -0.447
local terms energy: -89.125842
where:
bonds (distance) C4'-P energy: -17.844
bonds (distance) P-C4' energy: -22.406
flat angles C4'-P-C4' energy: -22.559
flat angles P-C4'-P energy: -12.864
tors. eta vs tors. theta energy: -13.453
Dist. restrs. and SS energy: -36.000 (S_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: 86
Temperature: 1.350000
Total energy: -238.165482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.165482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.165482 (E_RNA)
where:
Base-Base interactions energy: -128.333
where: short stacking energy: -54.390
Base-Backbone interact. energy: 1.569
local terms energy: -75.401523
where:
bonds (distance) C4'-P energy: -17.017
bonds (distance) P-C4' energy: -16.754
flat angles C4'-P-C4' energy: -16.865
flat angles P-C4'-P energy: -14.709
tors. eta vs tors. theta energy: -10.057
Dist. restrs. and SS energy: -36.000 (S_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: 87
Temperature: 0.900000
Total energy: -409.987810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.987810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.587810 (E_RNA)
where:
Base-Base interactions energy: -252.464
where: short stacking energy: -104.300
Base-Backbone interact. energy: -0.355
local terms energy: -106.768417
where:
bonds (distance) C4'-P energy: -18.870
bonds (distance) P-C4' energy: -21.458
flat angles C4'-P-C4' energy: -23.980
flat angles P-C4'-P energy: -13.377
tors. eta vs tors. theta energy: -29.083
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -408.659712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.659712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.259712 (E_RNA)
where:
Base-Base interactions energy: -245.052
where: short stacking energy: -95.534
Base-Backbone interact. energy: -0.016
local terms energy: -113.192061
where:
bonds (distance) C4'-P energy: -24.388
bonds (distance) P-C4' energy: -25.372
flat angles C4'-P-C4' energy: -19.851
flat angles P-C4'-P energy: -17.931
tors. eta vs tors. theta energy: -25.650
Dist. restrs. and SS energy: -50.400 (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: 3
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -406.596537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.596537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.196537 (E_RNA)
where:
Base-Base interactions energy: -244.986
where: short stacking energy: -96.152
Base-Backbone interact. energy: -1.507
local terms energy: -109.704335
where:
bonds (distance) C4'-P energy: -23.647
bonds (distance) P-C4' energy: -23.103
flat angles C4'-P-C4' energy: -17.914
flat angles P-C4'-P energy: -16.179
tors. eta vs tors. theta energy: -28.860
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -375.049979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.049979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.649979 (E_RNA)
where:
Base-Base interactions energy: -224.150
where: short stacking energy: -95.512
Base-Backbone interact. energy: 1.372
local terms energy: -101.871861
where:
bonds (distance) C4'-P energy: -23.916
bonds (distance) P-C4' energy: -18.088
flat angles C4'-P-C4' energy: -14.405
flat angles P-C4'-P energy: -19.535
tors. eta vs tors. theta energy: -25.927
Dist. restrs. and SS energy: -50.400 (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: 4
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -332.117438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.117438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.717438 (E_RNA)
where:
Base-Base interactions energy: -187.705
where: short stacking energy: -82.916
Base-Backbone interact. energy: -1.043
local terms energy: -110.969408
where:
bonds (distance) C4'-P energy: -24.582
bonds (distance) P-C4' energy: -21.907
flat angles C4'-P-C4' energy: -25.187
flat angles P-C4'-P energy: -16.589
tors. eta vs tors. theta energy: -22.704
Dist. restrs. and SS energy: -32.400 (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: 6
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -301.997649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.997649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.797649 (E_RNA)
where:
Base-Base interactions energy: -171.514
where: short stacking energy: -76.930
Base-Backbone interact. energy: 1.574
local terms energy: -97.857833
where:
bonds (distance) C4'-P energy: -20.686
bonds (distance) P-C4' energy: -23.283
flat angles C4'-P-C4' energy: -20.987
flat angles P-C4'-P energy: -18.262
tors. eta vs tors. theta energy: -14.639
Dist. restrs. and SS energy: -34.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -333.387326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.387326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.187326 (E_RNA)
where:
Base-Base interactions energy: -192.378
where: short stacking energy: -74.675
Base-Backbone interact. energy: 0.107
local terms energy: -97.915997
where:
bonds (distance) C4'-P energy: -19.226
bonds (distance) P-C4' energy: -24.182
flat angles C4'-P-C4' energy: -23.634
flat angles P-C4'-P energy: -8.474
tors. eta vs tors. theta energy: -22.400
Dist. restrs. and SS energy: -43.200 (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: 2
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -269.879808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.879808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.879808 (E_RNA)
where:
Base-Base interactions energy: -158.737
where: short stacking energy: -71.752
Base-Backbone interact. energy: -0.218
local terms energy: -74.925070
where:
bonds (distance) C4'-P energy: -12.618
bonds (distance) P-C4' energy: -21.018
flat angles C4'-P-C4' energy: -17.261
flat angles P-C4'-P energy: -15.251
tors. eta vs tors. theta energy: -8.776
Dist. restrs. and SS energy: -36.000 (S_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: 87
Temperature: 1.300000
Total energy: -270.270234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.270234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.270234 (E_RNA)
where:
Base-Base interactions energy: -158.321
where: short stacking energy: -62.472
Base-Backbone interact. energy: -0.365
local terms energy: -75.583789
where:
bonds (distance) C4'-P energy: -15.320
bonds (distance) P-C4' energy: -19.471
flat angles C4'-P-C4' energy: -19.432
flat angles P-C4'-P energy: -8.561
tors. eta vs tors. theta energy: -12.800
Dist. restrs. and SS energy: -36.000 (S_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: 87
Temperature: 1.350000
Total energy: -231.416402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.416402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.216402 (E_RNA)
where:
Base-Base interactions energy: -116.436
where: short stacking energy: -43.730
Base-Backbone interact. energy: -0.456
local terms energy: -80.324966
where:
bonds (distance) C4'-P energy: -15.097
bonds (distance) P-C4' energy: -25.302
flat angles C4'-P-C4' energy: -19.651
flat angles P-C4'-P energy: -18.694
tors. eta vs tors. theta energy: -1.582
Dist. restrs. and SS energy: -34.200 (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: 10
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -419.752993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.752993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.352993 (E_RNA)
where:
Base-Base interactions energy: -251.237
where: short stacking energy: -97.340
Base-Backbone interact. energy: -0.627
local terms energy: -117.489008
where:
bonds (distance) C4'-P energy: -20.129
bonds (distance) P-C4' energy: -22.972
flat angles C4'-P-C4' energy: -26.114
flat angles P-C4'-P energy: -17.535
tors. eta vs tors. theta energy: -30.739
Dist. restrs. and SS energy: -50.400 (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: 8
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -414.220434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.220434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.820434 (E_RNA)
where:
Base-Base interactions energy: -252.539
where: short stacking energy: -103.934
Base-Backbone interact. energy: -1.658
local terms energy: -109.623522
where:
bonds (distance) C4'-P energy: -19.385
bonds (distance) P-C4' energy: -21.067
flat angles C4'-P-C4' energy: -23.272
flat angles P-C4'-P energy: -15.481
tors. eta vs tors. theta energy: -30.418
Dist. restrs. and SS energy: -50.400 (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: 3
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -397.323532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.323532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.923532 (E_RNA)
where:
Base-Base interactions energy: -233.831
where: short stacking energy: -96.177
Base-Backbone interact. energy: 3.684
local terms energy: -116.776887
where:
bonds (distance) C4'-P energy: -24.327
bonds (distance) P-C4' energy: -21.229
flat angles C4'-P-C4' energy: -22.715
flat angles P-C4'-P energy: -18.729
tors. eta vs tors. theta energy: -29.778
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -370.393021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.393021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.993021 (E_RNA)
where:
Base-Base interactions energy: -224.382
where: short stacking energy: -101.303
Base-Backbone interact. energy: 1.687
local terms energy: -97.298142
where:
bonds (distance) C4'-P energy: -18.422
bonds (distance) P-C4' energy: -22.870
flat angles C4'-P-C4' energy: -20.974
flat angles P-C4'-P energy: -10.560
tors. eta vs tors. theta energy: -24.471
Dist. restrs. and SS energy: -50.400 (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: 4
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -317.727435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.727435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.727435 (E_RNA)
where:
Base-Base interactions energy: -192.882
where: short stacking energy: -83.836
Base-Backbone interact. energy: -0.280
local terms energy: -88.565338
where:
bonds (distance) C4'-P energy: -14.856
bonds (distance) P-C4' energy: -19.679
flat angles C4'-P-C4' energy: -17.669
flat angles P-C4'-P energy: -16.585
tors. eta vs tors. theta energy: -19.776
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -295.624564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.624564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.624564 (E_RNA)
where:
Base-Base interactions energy: -166.318
where: short stacking energy: -79.358
Base-Backbone interact. energy: -0.048
local terms energy: -93.258788
where:
bonds (distance) C4'-P energy: -21.122
bonds (distance) P-C4' energy: -24.680
flat angles C4'-P-C4' energy: -21.243
flat angles P-C4'-P energy: -8.276
tors. eta vs tors. theta energy: -17.937
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -350.293738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.293738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.693738 (E_RNA)
where:
Base-Base interactions energy: -215.662
where: short stacking energy: -78.974
Base-Backbone interact. energy: -1.258
local terms energy: -84.774464
where:
bonds (distance) C4'-P energy: -18.708
bonds (distance) P-C4' energy: -22.837
flat angles C4'-P-C4' energy: -13.990
flat angles P-C4'-P energy: -15.470
tors. eta vs tors. theta energy: -13.769
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -288.040651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.040651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.040651 (E_RNA)
where:
Base-Base interactions energy: -164.789
where: short stacking energy: -73.631
Base-Backbone interact. energy: -0.785
local terms energy: -86.466918
where:
bonds (distance) C4'-P energy: -15.567
bonds (distance) P-C4' energy: -23.241
flat angles C4'-P-C4' energy: -12.645
flat angles P-C4'-P energy: -17.565
tors. eta vs tors. theta energy: -17.449
Dist. restrs. and SS energy: -36.000 (S_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: -282.511654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.511654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.311654 (E_RNA)
where:
Base-Base interactions energy: -150.926
where: short stacking energy: -71.593
Base-Backbone interact. energy: -0.286
local terms energy: -97.099007
where:
bonds (distance) C4'-P energy: -22.909
bonds (distance) P-C4' energy: -18.630
flat angles C4'-P-C4' energy: -20.793
flat angles P-C4'-P energy: -15.749
tors. eta vs tors. theta energy: -19.018
Dist. restrs. and SS energy: -34.200 (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: 1
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -243.948975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.948975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.748975 (E_RNA)
where:
Base-Base interactions energy: -129.222
where: short stacking energy: -56.607
Base-Backbone interact. energy: -0.452
local terms energy: -80.074422
where:
bonds (distance) C4'-P energy: -19.137
bonds (distance) P-C4' energy: -22.939
flat angles C4'-P-C4' energy: -18.005
flat angles P-C4'-P energy: -14.418
tors. eta vs tors. theta energy: -5.575
Dist. restrs. and SS energy: -34.200 (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: 10
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -421.339161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.339161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.939161 (E_RNA)
where:
Base-Base interactions energy: -257.237
where: short stacking energy: -99.045
Base-Backbone interact. energy: 1.951
local terms energy: -115.652862
where:
bonds (distance) C4'-P energy: -18.144
bonds (distance) P-C4' energy: -22.259
flat angles C4'-P-C4' energy: -27.088
flat angles P-C4'-P energy: -19.506
tors. eta vs tors. theta energy: -28.656
Dist. restrs. and SS energy: -50.400 (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: 8
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -404.584122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.584122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.184122 (E_RNA)
where:
Base-Base interactions energy: -241.172
where: short stacking energy: -94.105
Base-Backbone interact. energy: -0.401
local terms energy: -112.611585
where:
bonds (distance) C4'-P energy: -23.071
bonds (distance) P-C4' energy: -25.949
flat angles C4'-P-C4' energy: -22.887
flat angles P-C4'-P energy: -13.417
tors. eta vs tors. theta energy: -27.288
Dist. restrs. and SS energy: -50.400 (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: 3
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -405.837288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.837288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.437288 (E_RNA)
where:
Base-Base interactions energy: -243.570
where: short stacking energy: -97.108
Base-Backbone interact. energy: -0.594
local terms energy: -111.273313
where:
bonds (distance) C4'-P energy: -24.507
bonds (distance) P-C4' energy: -21.590
flat angles C4'-P-C4' energy: -20.036
flat angles P-C4'-P energy: -15.907
tors. eta vs tors. theta energy: -29.233
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -369.703459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.703459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.303459 (E_RNA)
where:
Base-Base interactions energy: -217.930
where: short stacking energy: -91.602
Base-Backbone interact. energy: -1.367
local terms energy: -100.006521
where:
bonds (distance) C4'-P energy: -21.639
bonds (distance) P-C4' energy: -20.591
flat angles C4'-P-C4' energy: -25.357
flat angles P-C4'-P energy: -9.588
tors. eta vs tors. theta energy: -22.831
Dist. restrs. and SS energy: -50.400 (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: 4
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -333.805508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.805508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.605508 (E_RNA)
where:
Base-Base interactions energy: -192.149
where: short stacking energy: -93.457
Base-Backbone interact. energy: -0.374
local terms energy: -107.082398
where:
bonds (distance) C4'-P energy: -21.688
bonds (distance) P-C4' energy: -26.182
flat angles C4'-P-C4' energy: -24.892
flat angles P-C4'-P energy: -15.370
tors. eta vs tors. theta energy: -18.951
Dist. restrs. and SS energy: -34.200 (S_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: 89
Temperature: 1.150000
Total energy: -350.254046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.254046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.854046 (E_RNA)
where:
Base-Base interactions energy: -191.465
where: short stacking energy: -80.888
Base-Backbone interact. energy: -1.235
local terms energy: -107.153691
where:
bonds (distance) C4'-P energy: -21.617
bonds (distance) P-C4' energy: -25.852
flat angles C4'-P-C4' energy: -22.918
flat angles P-C4'-P energy: -19.441
tors. eta vs tors. theta energy: -17.326
Dist. restrs. and SS energy: -50.400 (S_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: -279.716351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.716351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.716351 (E_RNA)
where:
Base-Base interactions energy: -157.594
where: short stacking energy: -73.940
Base-Backbone interact. energy: 0.989
local terms energy: -87.111277
where:
bonds (distance) C4'-P energy: -18.395
bonds (distance) P-C4' energy: -20.581
flat angles C4'-P-C4' energy: -21.187
flat angles P-C4'-P energy: -9.144
tors. eta vs tors. theta energy: -17.805
Dist. restrs. and SS energy: -36.000 (S_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: 89
Temperature: 1.250000
Total energy: -297.860193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.860193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.660193 (E_RNA)
where:
Base-Base interactions energy: -159.964
where: short stacking energy: -62.016
Base-Backbone interact. energy: -1.039
local terms energy: -102.657377
where:
bonds (distance) C4'-P energy: -18.879
bonds (distance) P-C4' energy: -23.846
flat angles C4'-P-C4' energy: -25.127
flat angles P-C4'-P energy: -17.191
tors. eta vs tors. theta energy: -17.615
Dist. restrs. and SS energy: -34.200 (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: 7
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -271.584204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.584204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.584204 (E_RNA)
where:
Base-Base interactions energy: -146.832
where: short stacking energy: -58.983
Base-Backbone interact. energy: -0.741
local terms energy: -88.011133
where:
bonds (distance) C4'-P energy: -17.857
bonds (distance) P-C4' energy: -19.568
flat angles C4'-P-C4' energy: -23.970
flat angles P-C4'-P energy: -10.095
tors. eta vs tors. theta energy: -16.521
Dist. restrs. and SS energy: -36.000 (S_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: 89
Temperature: 1.350000
Total energy: -256.287244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.287244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.887244 (E_RNA)
where:
Base-Base interactions energy: -151.423
where: short stacking energy: -73.159
Base-Backbone interact. energy: 0.827
local terms energy: -73.291444
where:
bonds (distance) C4'-P energy: -15.681
bonds (distance) P-C4' energy: -6.367
flat angles C4'-P-C4' energy: -25.693
flat angles P-C4'-P energy: -9.534
tors. eta vs tors. theta energy: -16.016
Dist. restrs. and SS energy: -32.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -421.081264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.081264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.681264 (E_RNA)
where:
Base-Base interactions energy: -251.429
where: short stacking energy: -98.377
Base-Backbone interact. energy: -1.054
local terms energy: -118.197929
where:
bonds (distance) C4'-P energy: -25.083
bonds (distance) P-C4' energy: -24.814
flat angles C4'-P-C4' energy: -22.335
flat angles P-C4'-P energy: -16.226
tors. eta vs tors. theta energy: -29.739
Dist. restrs. and SS energy: -50.400 (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: 8
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -416.351873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.351873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.951873 (E_RNA)
where:
Base-Base interactions energy: -250.300
where: short stacking energy: -92.285
Base-Backbone interact. energy: -0.719
local terms energy: -114.933594
where:
bonds (distance) C4'-P energy: -20.260
bonds (distance) P-C4' energy: -24.716
flat angles C4'-P-C4' energy: -26.495
flat angles P-C4'-P energy: -17.125
tors. eta vs tors. theta energy: -26.338
Dist. restrs. and SS energy: -50.400 (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: 3
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -403.015852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.015852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.415852 (E_RNA)
where:
Base-Base interactions energy: -244.779
where: short stacking energy: -93.465
Base-Backbone interact. energy: -0.906
local terms energy: -108.730526
where:
bonds (distance) C4'-P energy: -22.061
bonds (distance) P-C4' energy: -23.781
flat angles C4'-P-C4' energy: -19.963
flat angles P-C4'-P energy: -15.547
tors. eta vs tors. theta energy: -27.379
Dist. restrs. and SS energy: -48.600 (S_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: 90
Temperature: 1.050000
Total energy: -373.785240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.785240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.385240 (E_RNA)
where:
Base-Base interactions energy: -220.991
where: short stacking energy: -95.360
Base-Backbone interact. energy: 1.864
local terms energy: -104.258987
where:
bonds (distance) C4'-P energy: -19.283
bonds (distance) P-C4' energy: -25.505
flat angles C4'-P-C4' energy: -25.067
flat angles P-C4'-P energy: -9.255
tors. eta vs tors. theta energy: -25.150
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -342.138538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.138538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.538538 (E_RNA)
where:
Base-Base interactions energy: -206.702
where: short stacking energy: -74.901
Base-Backbone interact. energy: -0.813
local terms energy: -86.023698
where:
bonds (distance) C4'-P energy: -17.287
bonds (distance) P-C4' energy: -24.416
flat angles C4'-P-C4' energy: -22.368
flat angles P-C4'-P energy: -7.593
tors. eta vs tors. theta energy: -14.359
Dist. restrs. and SS energy: -48.600 (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: 4
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -288.074154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.074154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.874154 (E_RNA)
where:
Base-Base interactions energy: -172.728
where: short stacking energy: -70.227
Base-Backbone interact. energy: -0.947
local terms energy: -80.198287
where:
bonds (distance) C4'-P energy: -17.001
bonds (distance) P-C4' energy: -22.496
flat angles C4'-P-C4' energy: -14.282
flat angles P-C4'-P energy: -8.942
tors. eta vs tors. theta energy: -17.478
Dist. restrs. and SS energy: -34.200 (S_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: 90
Temperature: 1.200000
Total energy: -280.028112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.028112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.028112 (E_RNA)
where:
Base-Base interactions energy: -155.830
where: short stacking energy: -73.982
Base-Backbone interact. energy: -0.128
local terms energy: -88.070612
where:
bonds (distance) C4'-P energy: -19.626
bonds (distance) P-C4' energy: -12.579
flat angles C4'-P-C4' energy: -22.933
flat angles P-C4'-P energy: -17.206
tors. eta vs tors. theta energy: -15.727
Dist. restrs. and SS energy: -36.000 (S_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: 90
Temperature: 1.250000
Total energy: -265.692582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.692582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.692582 (E_RNA)
where:
Base-Base interactions energy: -139.296
where: short stacking energy: -61.857
Base-Backbone interact. energy: -0.360
local terms energy: -90.037182
where:
bonds (distance) C4'-P energy: -19.375
bonds (distance) P-C4' energy: -12.431
flat angles C4'-P-C4' energy: -21.433
flat angles P-C4'-P energy: -21.078
tors. eta vs tors. theta energy: -15.720
Dist. restrs. and SS energy: -36.000 (S_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: 90
Temperature: 1.300000
Total energy: -272.085396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.085396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.885396 (E_RNA)
where:
Base-Base interactions energy: -161.447
where: short stacking energy: -66.066
Base-Backbone interact. energy: -0.789
local terms energy: -75.649584
where:
bonds (distance) C4'-P energy: -20.322
bonds (distance) P-C4' energy: -20.296
flat angles C4'-P-C4' energy: -9.987
flat angles P-C4'-P energy: -10.687
tors. eta vs tors. theta energy: -14.358
Dist. restrs. and SS energy: -34.200 (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: 90
Temperature: 1.350000
Total energy: -258.898339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.898339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.898339 (E_RNA)
where:
Base-Base interactions energy: -142.082
where: short stacking energy: -55.631
Base-Backbone interact. energy: 1.080
local terms energy: -81.895937
where:
bonds (distance) C4'-P energy: -24.806
bonds (distance) P-C4' energy: -18.968
flat angles C4'-P-C4' energy: -21.048
flat angles P-C4'-P energy: -8.681
tors. eta vs tors. theta energy: -8.394
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -421.805738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.805738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.205738 (E_RNA)
where:
Base-Base interactions energy: -261.724
where: short stacking energy: -109.584
Base-Backbone interact. energy: -0.999
local terms energy: -110.483501
where:
bonds (distance) C4'-P energy: -21.473
bonds (distance) P-C4' energy: -21.060
flat angles C4'-P-C4' energy: -22.669
flat angles P-C4'-P energy: -15.156
tors. eta vs tors. theta energy: -30.127
Dist. restrs. and SS energy: -48.600 (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: 3
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -416.370456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.370456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.970456 (E_RNA)
where:
Base-Base interactions energy: -254.534
where: short stacking energy: -102.966
Base-Backbone interact. energy: -0.565
local terms energy: -110.871651
where:
bonds (distance) C4'-P energy: -18.774
bonds (distance) P-C4' energy: -17.584
flat angles C4'-P-C4' energy: -25.884
flat angles P-C4'-P energy: -19.171
tors. eta vs tors. theta energy: -29.459
Dist. restrs. and SS energy: -50.400 (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: 91
Temperature: 1.000000
Total energy: -395.599722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.599722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.999722 (E_RNA)
where:
Base-Base interactions energy: -238.462
where: short stacking energy: -94.894
Base-Backbone interact. energy: -1.520
local terms energy: -107.017363
where:
bonds (distance) C4'-P energy: -21.561
bonds (distance) P-C4' energy: -20.336
flat angles C4'-P-C4' energy: -18.880
flat angles P-C4'-P energy: -20.924
tors. eta vs tors. theta energy: -25.317
Dist. restrs. and SS energy: -48.600 (S_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: -375.084520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.084520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.684520 (E_RNA)
where:
Base-Base interactions energy: -212.974
where: short stacking energy: -89.346
Base-Backbone interact. energy: -0.321
local terms energy: -111.389568
where:
bonds (distance) C4'-P energy: -24.860
bonds (distance) P-C4' energy: -23.706
flat angles C4'-P-C4' energy: -20.894
flat angles P-C4'-P energy: -16.269
tors. eta vs tors. theta energy: -25.661
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -354.403052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.403052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.803052 (E_RNA)
where:
Base-Base interactions energy: -208.069
where: short stacking energy: -80.463
Base-Backbone interact. energy: -0.800
local terms energy: -96.934379
where:
bonds (distance) C4'-P energy: -23.886
bonds (distance) P-C4' energy: -20.537
flat angles C4'-P-C4' energy: -23.409
flat angles P-C4'-P energy: -12.288
tors. eta vs tors. theta energy: -16.813
Dist. restrs. and SS energy: -48.600 (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: 4
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -300.866691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.866691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.866691 (E_RNA)
where:
Base-Base interactions energy: -173.898
where: short stacking energy: -78.075
Base-Backbone interact. energy: -0.368
local terms energy: -90.601232
where:
bonds (distance) C4'-P energy: -15.449
bonds (distance) P-C4' energy: -23.697
flat angles C4'-P-C4' energy: -18.440
flat angles P-C4'-P energy: -12.480
tors. eta vs tors. theta energy: -20.535
Dist. restrs. and SS energy: -36.000 (S_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: 91
Temperature: 1.200000
Total energy: -276.537839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.537839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.537839 (E_RNA)
where:
Base-Base interactions energy: -152.723
where: short stacking energy: -67.605
Base-Backbone interact. energy: -0.362
local terms energy: -87.453115
where:
bonds (distance) C4'-P energy: -18.632
bonds (distance) P-C4' energy: -21.532
flat angles C4'-P-C4' energy: -20.082
flat angles P-C4'-P energy: -17.393
tors. eta vs tors. theta energy: -9.814
Dist. restrs. and SS energy: -36.000 (S_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: 91
Temperature: 1.250000
Total energy: -275.852430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.852430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.852430 (E_RNA)
where:
Base-Base interactions energy: -153.058
where: short stacking energy: -63.132
Base-Backbone interact. energy: 1.378
local terms energy: -88.172097
where:
bonds (distance) C4'-P energy: -22.612
bonds (distance) P-C4' energy: -19.567
flat angles C4'-P-C4' energy: -22.314
flat angles P-C4'-P energy: -13.613
tors. eta vs tors. theta energy: -10.067
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -270.101698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.101698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.101698 (E_RNA)
where:
Base-Base interactions energy: -154.423
where: short stacking energy: -67.609
Base-Backbone interact. energy: -0.209
local terms energy: -79.469458
where:
bonds (distance) C4'-P energy: -12.135
bonds (distance) P-C4' energy: -23.623
flat angles C4'-P-C4' energy: -19.725
flat angles P-C4'-P energy: -14.633
tors. eta vs tors. theta energy: -9.353
Dist. restrs. and SS energy: -36.000 (S_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: 91
Temperature: 1.350000
Total energy: -247.012090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.012090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.812090 (E_RNA)
where:
Base-Base interactions energy: -128.474
where: short stacking energy: -53.850
Base-Backbone interact. energy: -0.723
local terms energy: -83.615078
where:
bonds (distance) C4'-P energy: -24.090
bonds (distance) P-C4' energy: -14.932
flat angles C4'-P-C4' energy: -18.432
flat angles P-C4'-P energy: -14.953
tors. eta vs tors. theta energy: -11.208
Dist. restrs. and SS energy: -34.200 (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: 10
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -419.289605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.289605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.889605 (E_RNA)
where:
Base-Base interactions energy: -251.383
where: short stacking energy: -92.737
Base-Backbone interact. energy: -0.321
local terms energy: -117.185814
where:
bonds (distance) C4'-P energy: -22.566
bonds (distance) P-C4' energy: -24.260
flat angles C4'-P-C4' energy: -25.117
flat angles P-C4'-P energy: -19.506
tors. eta vs tors. theta energy: -25.736
Dist. restrs. and SS energy: -50.400 (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: 92
Temperature: 0.950000
Total energy: -410.075529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.075529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.675529 (E_RNA)
where:
Base-Base interactions energy: -249.493
where: short stacking energy: -100.454
Base-Backbone interact. energy: -1.003
local terms energy: -109.178553
where:
bonds (distance) C4'-P energy: -24.608
bonds (distance) P-C4' energy: -20.734
flat angles C4'-P-C4' energy: -18.480
flat angles P-C4'-P energy: -12.254
tors. eta vs tors. theta energy: -33.103
Dist. restrs. and SS energy: -50.400 (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: 92
Temperature: 1.000000
Total energy: -409.808252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.808252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.408252 (E_RNA)
where:
Base-Base interactions energy: -240.817
where: short stacking energy: -98.396
Base-Backbone interact. energy: -0.234
local terms energy: -118.357567
where:
bonds (distance) C4'-P energy: -19.779
bonds (distance) P-C4' energy: -24.413
flat angles C4'-P-C4' energy: -23.760
flat angles P-C4'-P energy: -19.573
tors. eta vs tors. theta energy: -30.832
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -363.702874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.702874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.502874 (E_RNA)
where:
Base-Base interactions energy: -215.539
where: short stacking energy: -81.008
Base-Backbone interact. energy: -0.644
local terms energy: -104.320332
where:
bonds (distance) C4'-P energy: -23.861
bonds (distance) P-C4' energy: -19.993
flat angles C4'-P-C4' energy: -24.023
flat angles P-C4'-P energy: -12.947
tors. eta vs tors. theta energy: -23.496
Dist. restrs. and SS energy: -43.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -343.216857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.216857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.616857 (E_RNA)
where:
Base-Base interactions energy: -205.128
where: short stacking energy: -83.546
Base-Backbone interact. energy: -1.895
local terms energy: -87.593612
where:
bonds (distance) C4'-P energy: -22.977
bonds (distance) P-C4' energy: -21.090
flat angles C4'-P-C4' energy: -14.947
flat angles P-C4'-P energy: -9.563
tors. eta vs tors. theta energy: -19.017
Dist. restrs. and SS energy: -48.600 (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: 4
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -292.857034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.857034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.857034 (E_RNA)
where:
Base-Base interactions energy: -169.070
where: short stacking energy: -71.339
Base-Backbone interact. energy: -0.121
local terms energy: -87.666282
where:
bonds (distance) C4'-P energy: -19.854
bonds (distance) P-C4' energy: -19.024
flat angles C4'-P-C4' energy: -17.459
flat angles P-C4'-P energy: -18.020
tors. eta vs tors. theta energy: -13.308
Dist. restrs. and SS energy: -36.000 (S_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: 92
Temperature: 1.200000
Total energy: -294.045720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.045720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.645720 (E_RNA)
where:
Base-Base interactions energy: -175.217
where: short stacking energy: -74.824
Base-Backbone interact. energy: -0.513
local terms energy: -76.915500
where:
bonds (distance) C4'-P energy: -12.385
bonds (distance) P-C4' energy: -15.843
flat angles C4'-P-C4' energy: -26.144
flat angles P-C4'-P energy: -10.877
tors. eta vs tors. theta energy: -11.666
Dist. restrs. and SS energy: -41.400 (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: 6
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -279.747020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.747020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.747020 (E_RNA)
where:
Base-Base interactions energy: -153.169
where: short stacking energy: -70.876
Base-Backbone interact. energy: -0.412
local terms energy: -90.166714
where:
bonds (distance) C4'-P energy: -23.460
bonds (distance) P-C4' energy: -25.130
flat angles C4'-P-C4' energy: -13.439
flat angles P-C4'-P energy: -9.692
tors. eta vs tors. theta energy: -18.446
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -251.646942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.646942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.646942 (E_RNA)
where:
Base-Base interactions energy: -137.626
where: short stacking energy: -48.127
Base-Backbone interact. energy: -1.396
local terms energy: -76.625048
where:
bonds (distance) C4'-P energy: -16.312
bonds (distance) P-C4' energy: -15.573
flat angles C4'-P-C4' energy: -17.273
flat angles P-C4'-P energy: -17.154
tors. eta vs tors. theta energy: -10.314
Dist. restrs. and SS energy: -36.000 (S_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: 92
Temperature: 1.350000
Total energy: -269.633306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.633306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.233306 (E_RNA)
where:
Base-Base interactions energy: -154.242
where: short stacking energy: -60.121
Base-Backbone interact. energy: 0.101
local terms energy: -83.091569
where:
bonds (distance) C4'-P energy: -15.022
bonds (distance) P-C4' energy: -25.390
flat angles C4'-P-C4' energy: -15.339
flat angles P-C4'-P energy: -11.634
tors. eta vs tors. theta energy: -15.707
Dist. restrs. and SS energy: -32.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -430.077784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.077784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.677784 (E_RNA)
where:
Base-Base interactions energy: -254.797
where: short stacking energy: -112.428
Base-Backbone interact. energy: -1.831
local terms energy: -123.049723
where:
bonds (distance) C4'-P energy: -22.549
bonds (distance) P-C4' energy: -24.636
flat angles C4'-P-C4' energy: -25.652
flat angles P-C4'-P energy: -19.355
tors. eta vs tors. theta energy: -30.858
Dist. restrs. and SS energy: -50.400 (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: 93
Temperature: 0.950000
Total energy: -412.096011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.096011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.696011 (E_RNA)
where:
Base-Base interactions energy: -249.560
where: short stacking energy: -102.076
Base-Backbone interact. energy: -4.109
local terms energy: -108.027228
where:
bonds (distance) C4'-P energy: -16.016
bonds (distance) P-C4' energy: -25.161
flat angles C4'-P-C4' energy: -21.322
flat angles P-C4'-P energy: -12.568
tors. eta vs tors. theta energy: -32.961
Dist. restrs. and SS energy: -50.400 (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: 93
Temperature: 1.000000
Total energy: -409.949487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.949487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.549487 (E_RNA)
where:
Base-Base interactions energy: -258.208
where: short stacking energy: -105.400
Base-Backbone interact. energy: -0.624
local terms energy: -100.717089
where:
bonds (distance) C4'-P energy: -21.209
bonds (distance) P-C4' energy: -18.726
flat angles C4'-P-C4' energy: -19.780
flat angles P-C4'-P energy: -12.636
tors. eta vs tors. theta energy: -28.367
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -363.045940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.045940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.645940 (E_RNA)
where:
Base-Base interactions energy: -213.353
where: short stacking energy: -83.653
Base-Backbone interact. energy: -2.207
local terms energy: -97.086492
where:
bonds (distance) C4'-P energy: -19.459
bonds (distance) P-C4' energy: -23.787
flat angles C4'-P-C4' energy: -21.903
flat angles P-C4'-P energy: -10.919
tors. eta vs tors. theta energy: -21.019
Dist. restrs. and SS energy: -50.400 (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: 9
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -368.329175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.329175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.129175 (E_RNA)
where:
Base-Base interactions energy: -211.285
where: short stacking energy: -102.229
Base-Backbone interact. energy: -0.075
local terms energy: -113.769087
where:
bonds (distance) C4'-P energy: -24.058
bonds (distance) P-C4' energy: -20.278
flat angles C4'-P-C4' energy: -23.682
flat angles P-C4'-P energy: -18.881
tors. eta vs tors. theta energy: -26.871
Dist. restrs. and SS energy: -43.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -301.859320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.859320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.859320 (E_RNA)
where:
Base-Base interactions energy: -170.295
where: short stacking energy: -78.215
Base-Backbone interact. energy: -1.547
local terms energy: -94.017154
where:
bonds (distance) C4'-P energy: -21.947
bonds (distance) P-C4' energy: -24.376
flat angles C4'-P-C4' energy: -21.473
flat angles P-C4'-P energy: -13.270
tors. eta vs tors. theta energy: -12.951
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -291.315571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.315571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.115571 (E_RNA)
where:
Base-Base interactions energy: -170.392
where: short stacking energy: -79.561
Base-Backbone interact. energy: -0.045
local terms energy: -86.678240
where:
bonds (distance) C4'-P energy: -19.316
bonds (distance) P-C4' energy: -21.034
flat angles C4'-P-C4' energy: -18.220
flat angles P-C4'-P energy: -12.122
tors. eta vs tors. theta energy: -15.987
Dist. restrs. and SS energy: -34.200 (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: 6
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -263.259816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.259816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.259816 (E_RNA)
where:
Base-Base interactions energy: -145.589
where: short stacking energy: -51.696
Base-Backbone interact. energy: -0.061
local terms energy: -81.609918
where:
bonds (distance) C4'-P energy: -19.556
bonds (distance) P-C4' energy: -22.307
flat angles C4'-P-C4' energy: -21.707
flat angles P-C4'-P energy: -14.077
tors. eta vs tors. theta energy: -3.963
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -251.689773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.689773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.689773 (E_RNA)
where:
Base-Base interactions energy: -148.891
where: short stacking energy: -59.197
Base-Backbone interact. energy: -0.682
local terms energy: -66.116982
where:
bonds (distance) C4'-P energy: -17.266
bonds (distance) P-C4' energy: -22.440
flat angles C4'-P-C4' energy: -12.510
flat angles P-C4'-P energy: -7.975
tors. eta vs tors. theta energy: -5.925
Dist. restrs. and SS energy: -36.000 (S_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: 93
Temperature: 1.350000
Total energy: -265.317920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.317920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.317920 (E_RNA)
where:
Base-Base interactions energy: -147.200
where: short stacking energy: -65.041
Base-Backbone interact. energy: 2.360
local terms energy: -84.477403
where:
bonds (distance) C4'-P energy: -15.527
bonds (distance) P-C4' energy: -24.242
flat angles C4'-P-C4' energy: -23.635
flat angles P-C4'-P energy: -5.111
tors. eta vs tors. theta energy: -15.963
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -422.227994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.227994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.827994 (E_RNA)
where:
Base-Base interactions energy: -262.729
where: short stacking energy: -101.451
Base-Backbone interact. energy: -2.067
local terms energy: -107.031247
where:
bonds (distance) C4'-P energy: -22.234
bonds (distance) P-C4' energy: -17.590
flat angles C4'-P-C4' energy: -23.953
flat angles P-C4'-P energy: -13.440
tors. eta vs tors. theta energy: -29.813
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -406.494110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.494110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.094110 (E_RNA)
where:
Base-Base interactions energy: -247.390
where: short stacking energy: -106.318
Base-Backbone interact. energy: -0.689
local terms energy: -108.015595
where:
bonds (distance) C4'-P energy: -20.538
bonds (distance) P-C4' energy: -16.878
flat angles C4'-P-C4' energy: -21.560
flat angles P-C4'-P energy: -17.186
tors. eta vs tors. theta energy: -31.854
Dist. restrs. and SS energy: -50.400 (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: 94
Temperature: 1.000000
Total energy: -405.026990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.026990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.626990 (E_RNA)
where:
Base-Base interactions energy: -237.174
where: short stacking energy: -93.601
Base-Backbone interact. energy: -0.315
local terms energy: -117.137744
where:
bonds (distance) C4'-P energy: -20.147
bonds (distance) P-C4' energy: -22.118
flat angles C4'-P-C4' energy: -27.400
flat angles P-C4'-P energy: -16.945
tors. eta vs tors. theta energy: -30.527
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -365.347389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.347389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.947389 (E_RNA)
where:
Base-Base interactions energy: -215.533
where: short stacking energy: -83.254
Base-Backbone interact. energy: -0.174
local terms energy: -99.240318
where:
bonds (distance) C4'-P energy: -19.091
bonds (distance) P-C4' energy: -20.435
flat angles C4'-P-C4' energy: -21.227
flat angles P-C4'-P energy: -18.325
tors. eta vs tors. theta energy: -20.162
Dist. restrs. and SS energy: -50.400 (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: 9
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -364.110332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.110332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.510332 (E_RNA)
where:
Base-Base interactions energy: -203.193
where: short stacking energy: -89.413
Base-Backbone interact. energy: 1.111
local terms energy: -113.428421
where:
bonds (distance) C4'-P energy: -23.107
bonds (distance) P-C4' energy: -22.035
flat angles C4'-P-C4' energy: -26.253
flat angles P-C4'-P energy: -17.771
tors. eta vs tors. theta energy: -24.262
Dist. restrs. and SS energy: -48.600 (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: 1
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -299.616555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.616555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.616555 (E_RNA)
where:
Base-Base interactions energy: -167.926
where: short stacking energy: -79.106
Base-Backbone interact. energy: -0.892
local terms energy: -94.798535
where:
bonds (distance) C4'-P energy: -20.288
bonds (distance) P-C4' energy: -25.001
flat angles C4'-P-C4' energy: -22.431
flat angles P-C4'-P energy: -6.578
tors. eta vs tors. theta energy: -20.500
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -278.237451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.237451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.237451 (E_RNA)
where:
Base-Base interactions energy: -151.166
where: short stacking energy: -71.698
Base-Backbone interact. energy: -0.250
local terms energy: -90.821597
where:
bonds (distance) C4'-P energy: -23.050
bonds (distance) P-C4' energy: -18.573
flat angles C4'-P-C4' energy: -24.173
flat angles P-C4'-P energy: -15.523
tors. eta vs tors. theta energy: -9.504
Dist. restrs. and SS energy: -36.000 (S_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: 94
Temperature: 1.250000
Total energy: -261.358337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.358337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.958337 (E_RNA)
where:
Base-Base interactions energy: -146.180
where: short stacking energy: -75.789
Base-Backbone interact. energy: -0.111
local terms energy: -82.667269
where:
bonds (distance) C4'-P energy: -22.586
bonds (distance) P-C4' energy: -16.648
flat angles C4'-P-C4' energy: -20.864
flat angles P-C4'-P energy: -10.166
tors. eta vs tors. theta energy: -12.404
Dist. restrs. and SS energy: -32.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -263.698190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.698190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.698190 (E_RNA)
where:
Base-Base interactions energy: -139.727
where: short stacking energy: -64.767
Base-Backbone interact. energy: 1.925
local terms energy: -89.896213
where:
bonds (distance) C4'-P energy: -20.175
bonds (distance) P-C4' energy: -20.711
flat angles C4'-P-C4' energy: -23.457
flat angles P-C4'-P energy: -17.755
tors. eta vs tors. theta energy: -7.798
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -244.545308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.545308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.545308 (E_RNA)
where:
Base-Base interactions energy: -131.418
where: short stacking energy: -58.524
Base-Backbone interact. energy: -0.156
local terms energy: -76.970810
where:
bonds (distance) C4'-P energy: -14.024
bonds (distance) P-C4' energy: -18.147
flat angles C4'-P-C4' energy: -23.169
flat angles P-C4'-P energy: -14.407
tors. eta vs tors. theta energy: -7.225
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -415.387530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.387530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.787530 (E_RNA)
where:
Base-Base interactions energy: -248.804
where: short stacking energy: -97.483
Base-Backbone interact. energy: -0.510
local terms energy: -117.473108
where:
bonds (distance) C4'-P energy: -25.359
bonds (distance) P-C4' energy: -20.522
flat angles C4'-P-C4' energy: -23.532
flat angles P-C4'-P energy: -17.378
tors. eta vs tors. theta energy: -30.681
Dist. restrs. and SS energy: -48.600 (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: 10
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -407.785473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.785473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.385473 (E_RNA)
where:
Base-Base interactions energy: -245.196
where: short stacking energy: -104.844
Base-Backbone interact. energy: 0.911
local terms energy: -113.100284
where:
bonds (distance) C4'-P energy: -20.843
bonds (distance) P-C4' energy: -18.009
flat angles C4'-P-C4' energy: -26.948
flat angles P-C4'-P energy: -20.651
tors. eta vs tors. theta energy: -26.650
Dist. restrs. and SS energy: -50.400 (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: 95
Temperature: 1.000000
Total energy: -409.442762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.442762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.042762 (E_RNA)
where:
Base-Base interactions energy: -239.994
where: short stacking energy: -96.052
Base-Backbone interact. energy: 0.833
local terms energy: -119.881799
where:
bonds (distance) C4'-P energy: -21.348
bonds (distance) P-C4' energy: -22.002
flat angles C4'-P-C4' energy: -26.638
flat angles P-C4'-P energy: -17.660
tors. eta vs tors. theta energy: -32.235
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -370.060079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.060079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.460079 (E_RNA)
where:
Base-Base interactions energy: -213.204
where: short stacking energy: -98.284
Base-Backbone interact. energy: 0.399
local terms energy: -108.655301
where:
bonds (distance) C4'-P energy: -23.481
bonds (distance) P-C4' energy: -22.268
flat angles C4'-P-C4' energy: -19.125
flat angles P-C4'-P energy: -18.460
tors. eta vs tors. theta energy: -25.322
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -368.171633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.171633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.771633 (E_RNA)
where:
Base-Base interactions energy: -212.795
where: short stacking energy: -87.234
Base-Backbone interact. energy: 2.712
local terms energy: -107.688650
where:
bonds (distance) C4'-P energy: -23.989
bonds (distance) P-C4' energy: -19.313
flat angles C4'-P-C4' energy: -22.824
flat angles P-C4'-P energy: -15.905
tors. eta vs tors. theta energy: -25.657
Dist. restrs. and SS energy: -50.400 (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: 4
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -298.555861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.555861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.355861 (E_RNA)
where:
Base-Base interactions energy: -165.020
where: short stacking energy: -78.055
Base-Backbone interact. energy: -0.057
local terms energy: -99.278756
where:
bonds (distance) C4'-P energy: -18.079
bonds (distance) P-C4' energy: -18.455
flat angles C4'-P-C4' energy: -24.203
flat angles P-C4'-P energy: -16.130
tors. eta vs tors. theta energy: -22.411
Dist. restrs. and SS energy: -34.200 (S_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: 95
Temperature: 1.200000
Total energy: -297.601216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.601216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.401216 (E_RNA)
where:
Base-Base interactions energy: -168.062
where: short stacking energy: -78.665
Base-Backbone interact. energy: 0.195
local terms energy: -95.533643
where:
bonds (distance) C4'-P energy: -17.585
bonds (distance) P-C4' energy: -23.262
flat angles C4'-P-C4' energy: -19.141
flat angles P-C4'-P energy: -12.712
tors. eta vs tors. theta energy: -22.832
Dist. restrs. and SS energy: -34.200 (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: 7
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -282.361764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.361764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.361764 (E_RNA)
where:
Base-Base interactions energy: -152.983
where: short stacking energy: -73.781
Base-Backbone interact. energy: -0.124
local terms energy: -93.254871
where:
bonds (distance) C4'-P energy: -17.950
bonds (distance) P-C4' energy: -21.336
flat angles C4'-P-C4' energy: -21.916
flat angles P-C4'-P energy: -16.899
tors. eta vs tors. theta energy: -15.153
Dist. restrs. and SS energy: -36.000 (S_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: -276.370872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.370872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.370872 (E_RNA)
where:
Base-Base interactions energy: -149.870
where: short stacking energy: -64.228
Base-Backbone interact. energy: -0.126
local terms energy: -90.374785
where:
bonds (distance) C4'-P energy: -15.538
bonds (distance) P-C4' energy: -23.893
flat angles C4'-P-C4' energy: -24.903
flat angles P-C4'-P energy: -11.145
tors. eta vs tors. theta energy: -14.895
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -258.154596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.154596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.154596 (E_RNA)
where:
Base-Base interactions energy: -143.517
where: short stacking energy: -70.339
Base-Backbone interact. energy: -0.183
local terms energy: -78.455139
where:
bonds (distance) C4'-P energy: -14.514
bonds (distance) P-C4' energy: -23.550
flat angles C4'-P-C4' energy: -9.921
flat angles P-C4'-P energy: -15.830
tors. eta vs tors. theta energy: -14.640
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -416.504078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.504078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.904078 (E_RNA)
where:
Base-Base interactions energy: -249.312
where: short stacking energy: -103.533
Base-Backbone interact. energy: -2.460
local terms energy: -116.132878
where:
bonds (distance) C4'-P energy: -19.879
bonds (distance) P-C4' energy: -24.478
flat angles C4'-P-C4' energy: -24.625
flat angles P-C4'-P energy: -14.960
tors. eta vs tors. theta energy: -32.190
Dist. restrs. and SS energy: -48.600 (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: 10
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -405.257722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.257722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.657722 (E_RNA)
where:
Base-Base interactions energy: -248.645
where: short stacking energy: -86.211
Base-Backbone interact. energy: -0.679
local terms energy: -107.333771
where:
bonds (distance) C4'-P energy: -26.487
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -19.230
flat angles P-C4'-P energy: -18.433
tors. eta vs tors. theta energy: -25.428
Dist. restrs. and SS energy: -48.600 (S_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: 96
Temperature: 1.000000
Total energy: -375.566246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.566246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.166246 (E_RNA)
where:
Base-Base interactions energy: -221.980
where: short stacking energy: -95.876
Base-Backbone interact. energy: -0.524
local terms energy: -102.662519
where:
bonds (distance) C4'-P energy: -16.651
bonds (distance) P-C4' energy: -24.913
flat angles C4'-P-C4' energy: -23.691
flat angles P-C4'-P energy: -10.155
tors. eta vs tors. theta energy: -27.253
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -400.284004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.284004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.884004 (E_RNA)
where:
Base-Base interactions energy: -236.950
where: short stacking energy: -86.597
Base-Backbone interact. energy: -1.341
local terms energy: -111.593215
where:
bonds (distance) C4'-P energy: -22.665
bonds (distance) P-C4' energy: -24.300
flat angles C4'-P-C4' energy: -23.777
flat angles P-C4'-P energy: -14.696
tors. eta vs tors. theta energy: -26.154
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -354.116047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.116047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.716047 (E_RNA)
where:
Base-Base interactions energy: -200.529
where: short stacking energy: -88.937
Base-Backbone interact. energy: -0.724
local terms energy: -102.462980
where:
bonds (distance) C4'-P energy: -16.189
bonds (distance) P-C4' energy: -24.359
flat angles C4'-P-C4' energy: -21.423
flat angles P-C4'-P energy: -15.801
tors. eta vs tors. theta energy: -24.691
Dist. restrs. and SS energy: -50.400 (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: 4
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -278.710646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.710646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.510646 (E_RNA)
where:
Base-Base interactions energy: -153.243
where: short stacking energy: -71.368
Base-Backbone interact. energy: -0.130
local terms energy: -91.137740
where:
bonds (distance) C4'-P energy: -17.328
bonds (distance) P-C4' energy: -23.000
flat angles C4'-P-C4' energy: -21.513
flat angles P-C4'-P energy: -14.812
tors. eta vs tors. theta energy: -14.485
Dist. restrs. and SS energy: -34.200 (S_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: 96
Temperature: 1.200000
Total energy: -297.983922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.983922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.983922 (E_RNA)
where:
Base-Base interactions energy: -157.013
where: short stacking energy: -74.903
Base-Backbone interact. energy: -0.194
local terms energy: -104.776124
where:
bonds (distance) C4'-P energy: -20.404
bonds (distance) P-C4' energy: -23.676
flat angles C4'-P-C4' energy: -23.027
flat angles P-C4'-P energy: -16.952
tors. eta vs tors. theta energy: -20.717
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -276.821265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.821265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.421265 (E_RNA)
where:
Base-Base interactions energy: -146.472
where: short stacking energy: -62.376
Base-Backbone interact. energy: -0.039
local terms energy: -97.909836
where:
bonds (distance) C4'-P energy: -19.481
bonds (distance) P-C4' energy: -28.443
flat angles C4'-P-C4' energy: -20.234
flat angles P-C4'-P energy: -16.174
tors. eta vs tors. theta energy: -13.577
Dist. restrs. and SS energy: -32.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -264.735596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.735596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.735596 (E_RNA)
where:
Base-Base interactions energy: -146.587
where: short stacking energy: -70.501
Base-Backbone interact. energy: -0.124
local terms energy: -82.024063
where:
bonds (distance) C4'-P energy: -17.617
bonds (distance) P-C4' energy: -14.505
flat angles C4'-P-C4' energy: -21.581
flat angles P-C4'-P energy: -17.994
tors. eta vs tors. theta energy: -10.326
Dist. restrs. and SS energy: -36.000 (S_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: 96
Temperature: 1.350000
Total energy: -279.769503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.769503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.769503 (E_RNA)
where:
Base-Base interactions energy: -154.092
where: short stacking energy: -73.570
Base-Backbone interact. energy: 1.150
local terms energy: -90.827863
where:
bonds (distance) C4'-P energy: -18.227
bonds (distance) P-C4' energy: -25.859
flat angles C4'-P-C4' energy: -18.883
flat angles P-C4'-P energy: -11.024
tors. eta vs tors. theta energy: -16.835
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -418.174272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.174272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.774272 (E_RNA)
where:
Base-Base interactions energy: -260.449
where: short stacking energy: -108.762
Base-Backbone interact. energy: -0.802
local terms energy: -106.522705
where:
bonds (distance) C4'-P energy: -18.298
bonds (distance) P-C4' energy: -20.703
flat angles C4'-P-C4' energy: -18.706
flat angles P-C4'-P energy: -18.103
tors. eta vs tors. theta energy: -30.712
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -412.058221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.058221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.658221 (E_RNA)
where:
Base-Base interactions energy: -246.785
where: short stacking energy: -95.059
Base-Backbone interact. energy: 0.272
local terms energy: -115.145616
where:
bonds (distance) C4'-P energy: -24.843
bonds (distance) P-C4' energy: -21.571
flat angles C4'-P-C4' energy: -21.294
flat angles P-C4'-P energy: -18.876
tors. eta vs tors. theta energy: -28.560
Dist. restrs. and SS energy: -50.400 (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: 9
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -373.150088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.150088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.750088 (E_RNA)
where:
Base-Base interactions energy: -218.631
where: short stacking energy: -86.344
Base-Backbone interact. energy: -1.090
local terms energy: -103.029297
where:
bonds (distance) C4'-P energy: -23.323
bonds (distance) P-C4' energy: -20.575
flat angles C4'-P-C4' energy: -24.637
flat angles P-C4'-P energy: -15.701
tors. eta vs tors. theta energy: -18.793
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -401.804431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.804431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.404431 (E_RNA)
where:
Base-Base interactions energy: -250.467
where: short stacking energy: -98.633
Base-Backbone interact. energy: 1.978
local terms energy: -102.915621
where:
bonds (distance) C4'-P energy: -23.626
bonds (distance) P-C4' energy: -23.197
flat angles C4'-P-C4' energy: -19.329
flat angles P-C4'-P energy: -10.783
tors. eta vs tors. theta energy: -25.981
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -340.013164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.013164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.613164 (E_RNA)
where:
Base-Base interactions energy: -214.264
where: short stacking energy: -69.725
Base-Backbone interact. energy: -0.618
local terms energy: -74.730930
where:
bonds (distance) C4'-P energy: -11.148
bonds (distance) P-C4' energy: -13.805
flat angles C4'-P-C4' energy: -19.953
flat angles P-C4'-P energy: -10.244
tors. eta vs tors. theta energy: -19.581
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -291.834303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.834303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.834303 (E_RNA)
where:
Base-Base interactions energy: -163.151
where: short stacking energy: -73.254
Base-Backbone interact. energy: -0.539
local terms energy: -92.144290
where:
bonds (distance) C4'-P energy: -17.868
bonds (distance) P-C4' energy: -15.367
flat angles C4'-P-C4' energy: -26.925
flat angles P-C4'-P energy: -15.928
tors. eta vs tors. theta energy: -16.057
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -272.471211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.471211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.471211 (E_RNA)
where:
Base-Base interactions energy: -140.318
where: short stacking energy: -63.636
Base-Backbone interact. energy: 2.022
local terms energy: -98.175422
where:
bonds (distance) C4'-P energy: -19.696
bonds (distance) P-C4' energy: -24.878
flat angles C4'-P-C4' energy: -21.466
flat angles P-C4'-P energy: -15.331
tors. eta vs tors. theta energy: -16.804
Dist. restrs. and SS energy: -36.000 (S_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: 97
Temperature: 1.250000
Total energy: -262.121603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.121603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.121603 (E_RNA)
where:
Base-Base interactions energy: -136.173
where: short stacking energy: -67.347
Base-Backbone interact. energy: -0.008
local terms energy: -89.941333
where:
bonds (distance) C4'-P energy: -22.505
bonds (distance) P-C4' energy: -19.610
flat angles C4'-P-C4' energy: -20.737
flat angles P-C4'-P energy: -15.130
tors. eta vs tors. theta energy: -11.960
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -253.305099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.305099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.105099 (E_RNA)
where:
Base-Base interactions energy: -138.244
where: short stacking energy: -60.998
Base-Backbone interact. energy: 0.157
local terms energy: -81.017879
where:
bonds (distance) C4'-P energy: -20.017
bonds (distance) P-C4' energy: -17.814
flat angles C4'-P-C4' energy: -23.318
flat angles P-C4'-P energy: -15.014
tors. eta vs tors. theta energy: -4.855
Dist. restrs. and SS energy: -34.200 (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: 6
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -262.601985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.601985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.401985 (E_RNA)
where:
Base-Base interactions energy: -145.472
where: short stacking energy: -67.701
Base-Backbone interact. energy: -0.215
local terms energy: -82.714645
where:
bonds (distance) C4'-P energy: -23.812
bonds (distance) P-C4' energy: -18.084
flat angles C4'-P-C4' energy: -13.683
flat angles P-C4'-P energy: -9.741
tors. eta vs tors. theta energy: -17.395
Dist. restrs. and SS energy: -34.200 (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: 10
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -419.799615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.799615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.399615 (E_RNA)
where:
Base-Base interactions energy: -260.397
where: short stacking energy: -94.676
Base-Backbone interact. energy: 0.571
local terms energy: -109.573205
where:
bonds (distance) C4'-P energy: -21.450
bonds (distance) P-C4' energy: -21.347
flat angles C4'-P-C4' energy: -23.074
flat angles P-C4'-P energy: -17.990
tors. eta vs tors. theta energy: -25.713
Dist. restrs. and SS energy: -50.400 (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: -410.905765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.905765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.505765 (E_RNA)
where:
Base-Base interactions energy: -247.047
where: short stacking energy: -103.417
Base-Backbone interact. energy: -2.603
local terms energy: -110.856039
where:
bonds (distance) C4'-P energy: -24.946
bonds (distance) P-C4' energy: -24.396
flat angles C4'-P-C4' energy: -18.027
flat angles P-C4'-P energy: -15.704
tors. eta vs tors. theta energy: -27.782
Dist. restrs. and SS energy: -50.400 (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: 98
Temperature: 1.000000
Total energy: -406.686364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.686364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.286364 (E_RNA)
where:
Base-Base interactions energy: -250.088
where: short stacking energy: -94.824
Base-Backbone interact. energy: -0.937
local terms energy: -105.261393
where:
bonds (distance) C4'-P energy: -22.400
bonds (distance) P-C4' energy: -24.250
flat angles C4'-P-C4' energy: -18.359
flat angles P-C4'-P energy: -15.260
tors. eta vs tors. theta energy: -24.992
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -361.314688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.314688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.714688 (E_RNA)
where:
Base-Base interactions energy: -196.631
where: short stacking energy: -77.018
Base-Backbone interact. energy: 0.020
local terms energy: -116.104452
where:
bonds (distance) C4'-P energy: -26.163
bonds (distance) P-C4' energy: -23.942
flat angles C4'-P-C4' energy: -23.577
flat angles P-C4'-P energy: -19.953
tors. eta vs tors. theta energy: -22.469
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -334.333167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.333167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.933167 (E_RNA)
where:
Base-Base interactions energy: -190.416
where: short stacking energy: -70.633
Base-Backbone interact. energy: -0.575
local terms energy: -92.942480
where:
bonds (distance) C4'-P energy: -22.595
bonds (distance) P-C4' energy: -19.522
flat angles C4'-P-C4' energy: -22.070
flat angles P-C4'-P energy: -14.573
tors. eta vs tors. theta energy: -14.182
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -301.162000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.162000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.162000 (E_RNA)
where:
Base-Base interactions energy: -174.864
where: short stacking energy: -80.147
Base-Backbone interact. energy: -0.604
local terms energy: -89.693869
where:
bonds (distance) C4'-P energy: -19.841
bonds (distance) P-C4' energy: -18.172
flat angles C4'-P-C4' energy: -24.564
flat angles P-C4'-P energy: -7.116
tors. eta vs tors. theta energy: -20.001
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -264.796925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.796925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.796925 (E_RNA)
where:
Base-Base interactions energy: -137.825
where: short stacking energy: -53.798
Base-Backbone interact. energy: -0.472
local terms energy: -90.500280
where:
bonds (distance) C4'-P energy: -21.925
bonds (distance) P-C4' energy: -23.557
flat angles C4'-P-C4' energy: -20.898
flat angles P-C4'-P energy: -18.144
tors. eta vs tors. theta energy: -5.975
Dist. restrs. and SS energy: -36.000 (S_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: 98
Temperature: 1.250000
Total energy: -271.940883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.940883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.940883 (E_RNA)
where:
Base-Base interactions energy: -154.492
where: short stacking energy: -71.080
Base-Backbone interact. energy: -0.080
local terms energy: -81.369374
where:
bonds (distance) C4'-P energy: -18.517
bonds (distance) P-C4' energy: -12.632
flat angles C4'-P-C4' energy: -15.163
flat angles P-C4'-P energy: -19.341
tors. eta vs tors. theta energy: -15.717
Dist. restrs. and SS energy: -36.000 (S_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: 98
Temperature: 1.300000
Total energy: -267.721775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.721775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.921775 (E_RNA)
where:
Base-Base interactions energy: -148.260
where: short stacking energy: -61.698
Base-Backbone interact. energy: -0.212
local terms energy: -90.450549
where:
bonds (distance) C4'-P energy: -19.522
bonds (distance) P-C4' energy: -25.626
flat angles C4'-P-C4' energy: -17.352
flat angles P-C4'-P energy: -16.392
tors. eta vs tors. theta energy: -11.559
Dist. restrs. and SS energy: -28.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -251.640774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.640774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.640774 (E_RNA)
where:
Base-Base interactions energy: -129.908
where: short stacking energy: -54.250
Base-Backbone interact. energy: -0.592
local terms energy: -85.141007
where:
bonds (distance) C4'-P energy: -18.168
bonds (distance) P-C4' energy: -25.654
flat angles C4'-P-C4' energy: -16.139
flat angles P-C4'-P energy: -16.244
tors. eta vs tors. theta energy: -8.937
Dist. restrs. and SS energy: -36.000 (S_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: 99
Temperature: 0.900000
Total energy: -412.365712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.365712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.965712 (E_RNA)
where:
Base-Base interactions energy: -248.051
where: short stacking energy: -92.853
Base-Backbone interact. energy: -1.211
local terms energy: -112.703087
where:
bonds (distance) C4'-P energy: -22.185
bonds (distance) P-C4' energy: -23.308
flat angles C4'-P-C4' energy: -23.827
flat angles P-C4'-P energy: -14.853
tors. eta vs tors. theta energy: -28.530
Dist. restrs. and SS energy: -50.400 (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: 8
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -410.157824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.157824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.757824 (E_RNA)
where:
Base-Base interactions energy: -258.536
where: short stacking energy: -90.004
Base-Backbone interact. energy: 0.251
local terms energy: -101.472388
where:
bonds (distance) C4'-P energy: -22.044
bonds (distance) P-C4' energy: -18.439
flat angles C4'-P-C4' energy: -20.983
flat angles P-C4'-P energy: -15.799
tors. eta vs tors. theta energy: -24.208
Dist. restrs. and SS energy: -50.400 (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: 3
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -401.278976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.278976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.878976 (E_RNA)
where:
Base-Base interactions energy: -241.303
where: short stacking energy: -97.973
Base-Backbone interact. energy: -0.822
local terms energy: -108.753734
where:
bonds (distance) C4'-P energy: -26.056
bonds (distance) P-C4' energy: -18.976
flat angles C4'-P-C4' energy: -20.866
flat angles P-C4'-P energy: -15.230
tors. eta vs tors. theta energy: -27.626
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -355.094370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.094370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.694370 (E_RNA)
where:
Base-Base interactions energy: -210.314
where: short stacking energy: -78.773
Base-Backbone interact. energy: 0.941
local terms energy: -95.322131
where:
bonds (distance) C4'-P energy: -22.809
bonds (distance) P-C4' energy: -21.080
flat angles C4'-P-C4' energy: -16.138
flat angles P-C4'-P energy: -16.411
tors. eta vs tors. theta energy: -18.885
Dist. restrs. and SS energy: -50.400 (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: 9
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -338.484318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.484318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.884318 (E_RNA)
where:
Base-Base interactions energy: -201.001
where: short stacking energy: -72.810
Base-Backbone interact. energy: 0.262
local terms energy: -89.145389
where:
bonds (distance) C4'-P energy: -19.579
bonds (distance) P-C4' energy: -18.560
flat angles C4'-P-C4' energy: -19.758
flat angles P-C4'-P energy: -18.001
tors. eta vs tors. theta energy: -13.247
Dist. restrs. and SS energy: -48.600 (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: 4
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -290.731714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.731714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.731714 (E_RNA)
where:
Base-Base interactions energy: -166.465
where: short stacking energy: -67.585
Base-Backbone interact. energy: -0.992
local terms energy: -87.274999
where:
bonds (distance) C4'-P energy: -22.334
bonds (distance) P-C4' energy: -18.649
flat angles C4'-P-C4' energy: -17.848
flat angles P-C4'-P energy: -15.227
tors. eta vs tors. theta energy: -13.217
Dist. restrs. and SS energy: -36.000 (S_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: 99
Temperature: 1.200000
Total energy: -282.298291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.298291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.298291 (E_RNA)
where:
Base-Base interactions energy: -153.191
where: short stacking energy: -65.189
Base-Backbone interact. energy: -0.221
local terms energy: -92.885769
where:
bonds (distance) C4'-P energy: -21.164
bonds (distance) P-C4' energy: -22.158
flat angles C4'-P-C4' energy: -16.648
flat angles P-C4'-P energy: -14.879
tors. eta vs tors. theta energy: -18.037
Dist. restrs. and SS energy: -36.000 (S_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: -284.735475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.735475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.535475 (E_RNA)
where:
Base-Base interactions energy: -162.066
where: short stacking energy: -73.478
Base-Backbone interact. energy: -0.345
local terms energy: -88.124393
where:
bonds (distance) C4'-P energy: -19.928
bonds (distance) P-C4' energy: -23.969
flat angles C4'-P-C4' energy: -16.099
flat angles P-C4'-P energy: -15.677
tors. eta vs tors. theta energy: -12.450
Dist. restrs. and SS energy: -34.200 (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: 1
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -257.080487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.080487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.680487 (E_RNA)
where:
Base-Base interactions energy: -142.302
where: short stacking energy: -62.328
Base-Backbone interact. energy: 0.129
local terms energy: -82.507014
where:
bonds (distance) C4'-P energy: -15.184
bonds (distance) P-C4' energy: -18.257
flat angles C4'-P-C4' energy: -19.059
flat angles P-C4'-P energy: -14.782
tors. eta vs tors. theta energy: -15.225
Dist. restrs. and SS energy: -32.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -238.097712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.097712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.097712 (E_RNA)
where:
Base-Base interactions energy: -125.007
where: short stacking energy: -61.035
Base-Backbone interact. energy: -0.179
local terms energy: -76.912259
where:
bonds (distance) C4'-P energy: -13.863
bonds (distance) P-C4' energy: -18.639
flat angles C4'-P-C4' energy: -25.531
flat angles P-C4'-P energy: -9.002
tors. eta vs tors. theta energy: -9.877
Dist. restrs. and SS energy: -36.000 (S_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: 100
Temperature: 0.900000
Total energy: -414.883806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.883806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.483806 (E_RNA)
where:
Base-Base interactions energy: -250.540
where: short stacking energy: -97.434
Base-Backbone interact. energy: 0.465
local terms energy: -114.408785
where:
bonds (distance) C4'-P energy: -21.281
bonds (distance) P-C4' energy: -21.997
flat angles C4'-P-C4' energy: -26.064
flat angles P-C4'-P energy: -20.256
tors. eta vs tors. theta energy: -24.810
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -408.181257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.181257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.781257 (E_RNA)
where:
Base-Base interactions energy: -237.949
where: short stacking energy: -95.432
Base-Backbone interact. energy: -1.326
local terms energy: -118.506265
where:
bonds (distance) C4'-P energy: -20.566
bonds (distance) P-C4' energy: -21.520
flat angles C4'-P-C4' energy: -25.971
flat angles P-C4'-P energy: -19.806
tors. eta vs tors. theta energy: -30.642
Dist. restrs. and SS energy: -50.400 (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: 3
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -414.640150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.640150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.240150 (E_RNA)
where:
Base-Base interactions energy: -256.256
where: short stacking energy: -95.763
Base-Backbone interact. energy: 0.905
local terms energy: -108.889381
where:
bonds (distance) C4'-P energy: -22.291
bonds (distance) P-C4' energy: -20.284
flat angles C4'-P-C4' energy: -24.159
flat angles P-C4'-P energy: -14.000
tors. eta vs tors. theta energy: -28.155
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -360.906053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.906053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.306053 (E_RNA)
where:
Base-Base interactions energy: -213.622
where: short stacking energy: -79.306
Base-Backbone interact. energy: -0.371
local terms energy: -98.312309
where:
bonds (distance) C4'-P energy: -24.089
bonds (distance) P-C4' energy: -19.946
flat angles C4'-P-C4' energy: -20.274
flat angles P-C4'-P energy: -15.877
tors. eta vs tors. theta energy: -18.127
Dist. restrs. and SS energy: -48.600 (S_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: 100
Temperature: 1.100000
Total energy: -302.468972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.468972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.468972 (E_RNA)
where:
Base-Base interactions energy: -173.349
where: short stacking energy: -89.578
Base-Backbone interact. energy: 1.885
local terms energy: -95.005083
where:
bonds (distance) C4'-P energy: -22.276
bonds (distance) P-C4' energy: -10.114
flat angles C4'-P-C4' energy: -26.866
flat angles P-C4'-P energy: -15.735
tors. eta vs tors. theta energy: -20.013
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -346.768381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.768381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.168381 (E_RNA)
where:
Base-Base interactions energy: -202.854
where: short stacking energy: -86.353
Base-Backbone interact. energy: 1.268
local terms energy: -96.582897
where:
bonds (distance) C4'-P energy: -21.005
bonds (distance) P-C4' energy: -21.738
flat angles C4'-P-C4' energy: -18.141
flat angles P-C4'-P energy: -12.807
tors. eta vs tors. theta energy: -22.890
Dist. restrs. and SS energy: -48.600 (S_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: -278.690416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.690416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.690416 (E_RNA)
where:
Base-Base interactions energy: -159.548
where: short stacking energy: -61.621
Base-Backbone interact. energy: -1.227
local terms energy: -81.915076
where:
bonds (distance) C4'-P energy: -23.031
bonds (distance) P-C4' energy: -22.743
flat angles C4'-P-C4' energy: -21.870
flat angles P-C4'-P energy: -9.427
tors. eta vs tors. theta energy: -4.844
Dist. restrs. and SS energy: -36.000 (S_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: 100
Temperature: 1.250000
Total energy: -291.609719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.609719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.609719 (E_RNA)
where:
Base-Base interactions energy: -153.963
where: short stacking energy: -69.770
Base-Backbone interact. energy: -0.211
local terms energy: -101.436005
where:
bonds (distance) C4'-P energy: -24.541
bonds (distance) P-C4' energy: -22.428
flat angles C4'-P-C4' energy: -21.278
flat angles P-C4'-P energy: -14.125
tors. eta vs tors. theta energy: -19.065
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -259.226845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.226845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.826845 (E_RNA)
where:
Base-Base interactions energy: -137.590
where: short stacking energy: -71.345
Base-Backbone interact. energy: 2.810
local terms energy: -92.047089
where:
bonds (distance) C4'-P energy: -13.825
bonds (distance) P-C4' energy: -23.920
flat angles C4'-P-C4' energy: -20.576
flat angles P-C4'-P energy: -12.846
tors. eta vs tors. theta energy: -20.881
Dist. restrs. and SS energy: -32.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -252.432034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.432034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.432034 (E_RNA)
where:
Base-Base interactions energy: -143.284
where: short stacking energy: -54.808
Base-Backbone interact. energy: -0.871
local terms energy: -72.277664
where:
bonds (distance) C4'-P energy: -12.590
bonds (distance) P-C4' energy: -25.011
flat angles C4'-P-C4' energy: -14.372
flat angles P-C4'-P energy: -10.790
tors. eta vs tors. theta energy: -9.515
Dist. restrs. and SS energy: -36.000 (S_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: 101
Temperature: 0.900000
Total energy: -422.422330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.422330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.022330 (E_RNA)
where:
Base-Base interactions energy: -256.128
where: short stacking energy: -99.214
Base-Backbone interact. energy: -0.800
local terms energy: -115.094871
where:
bonds (distance) C4'-P energy: -18.109
bonds (distance) P-C4' energy: -23.425
flat angles C4'-P-C4' energy: -25.816
flat angles P-C4'-P energy: -17.747
tors. eta vs tors. theta energy: -29.998
Dist. restrs. and SS energy: -50.400 (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: 101
Temperature: 0.950000
Total energy: -408.591481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.591481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.191481 (E_RNA)
where:
Base-Base interactions energy: -241.764
where: short stacking energy: -98.791
Base-Backbone interact. energy: 1.245
local terms energy: -117.672174
where:
bonds (distance) C4'-P energy: -20.473
bonds (distance) P-C4' energy: -23.461
flat angles C4'-P-C4' energy: -24.586
flat angles P-C4'-P energy: -19.344
tors. eta vs tors. theta energy: -29.808
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -405.018307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.018307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.618307 (E_RNA)
where:
Base-Base interactions energy: -243.110
where: short stacking energy: -88.035
Base-Backbone interact. energy: -0.272
local terms energy: -111.236161
where:
bonds (distance) C4'-P energy: -23.359
bonds (distance) P-C4' energy: -20.261
flat angles C4'-P-C4' energy: -23.018
flat angles P-C4'-P energy: -17.974
tors. eta vs tors. theta energy: -26.624
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -365.494229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.494229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.894229 (E_RNA)
where:
Base-Base interactions energy: -220.061
where: short stacking energy: -81.843
Base-Backbone interact. energy: -0.603
local terms energy: -96.230526
where:
bonds (distance) C4'-P energy: -14.830
bonds (distance) P-C4' energy: -23.341
flat angles C4'-P-C4' energy: -20.206
flat angles P-C4'-P energy: -13.285
tors. eta vs tors. theta energy: -24.569
Dist. restrs. and SS energy: -48.600 (S_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: 101
Temperature: 1.100000
Total energy: -312.963925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.963925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.763925 (E_RNA)
where:
Base-Base interactions energy: -185.724
where: short stacking energy: -78.635
Base-Backbone interact. energy: -1.345
local terms energy: -91.694794
where:
bonds (distance) C4'-P energy: -19.177
bonds (distance) P-C4' energy: -16.050
flat angles C4'-P-C4' energy: -16.245
flat angles P-C4'-P energy: -18.301
tors. eta vs tors. theta energy: -21.921
Dist. restrs. and SS energy: -34.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -351.977860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.977860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.177860 (E_RNA)
where:
Base-Base interactions energy: -201.109
where: short stacking energy: -84.860
Base-Backbone interact. energy: -0.464
local terms energy: -103.604577
where:
bonds (distance) C4'-P energy: -20.002
bonds (distance) P-C4' energy: -22.791
flat angles C4'-P-C4' energy: -26.724
flat angles P-C4'-P energy: -13.196
tors. eta vs tors. theta energy: -20.891
Dist. restrs. and SS energy: -46.800 (S_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: -267.937927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.937927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.937927 (E_RNA)
where:
Base-Base interactions energy: -141.833
where: short stacking energy: -55.816
Base-Backbone interact. energy: -0.554
local terms energy: -89.550861
where:
bonds (distance) C4'-P energy: -20.678
bonds (distance) P-C4' energy: -22.732
flat angles C4'-P-C4' energy: -19.679
flat angles P-C4'-P energy: -19.493
tors. eta vs tors. theta energy: -6.968
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -255.136011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.136011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.136011 (E_RNA)
where:
Base-Base interactions energy: -137.208
where: short stacking energy: -56.883
Base-Backbone interact. energy: -0.794
local terms energy: -81.134462
where:
bonds (distance) C4'-P energy: -11.894
bonds (distance) P-C4' energy: -23.525
flat angles C4'-P-C4' energy: -19.957
flat angles P-C4'-P energy: -15.598
tors. eta vs tors. theta energy: -10.161
Dist. restrs. and SS energy: -36.000 (S_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: 101
Temperature: 1.300000
Total energy: -285.061629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.061629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.061629 (E_RNA)
where:
Base-Base interactions energy: -159.734
where: short stacking energy: -75.832
Base-Backbone interact. energy: 2.799
local terms energy: -92.126786
where:
bonds (distance) C4'-P energy: -21.100
bonds (distance) P-C4' energy: -17.922
flat angles C4'-P-C4' energy: -22.530
flat angles P-C4'-P energy: -15.491
tors. eta vs tors. theta energy: -15.084
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -239.275510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.275510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.075510 (E_RNA)
where:
Base-Base interactions energy: -131.210
where: short stacking energy: -55.484
Base-Backbone interact. energy: 0.097
local terms energy: -73.962748
where:
bonds (distance) C4'-P energy: -23.924
bonds (distance) P-C4' energy: -18.023
flat angles C4'-P-C4' energy: -13.320
flat angles P-C4'-P energy: -9.686
tors. eta vs tors. theta energy: -9.009
Dist. restrs. and SS energy: -34.200 (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: 3
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -411.558332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.558332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.158332 (E_RNA)
where:
Base-Base interactions energy: -249.381
where: short stacking energy: -103.321
Base-Backbone interact. energy: 1.551
local terms energy: -113.328140
where:
bonds (distance) C4'-P energy: -20.890
bonds (distance) P-C4' energy: -23.087
flat angles C4'-P-C4' energy: -23.495
flat angles P-C4'-P energy: -18.017
tors. eta vs tors. theta energy: -27.839
Dist. restrs. and SS energy: -50.400 (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: 8
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -406.664822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.664822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.264822 (E_RNA)
where:
Base-Base interactions energy: -250.935
where: short stacking energy: -100.715
Base-Backbone interact. energy: 0.297
local terms energy: -105.626643
where:
bonds (distance) C4'-P energy: -20.537
bonds (distance) P-C4' energy: -20.554
flat angles C4'-P-C4' energy: -18.062
flat angles P-C4'-P energy: -18.961
tors. eta vs tors. theta energy: -27.513
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -401.799210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.799210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.399210 (E_RNA)
where:
Base-Base interactions energy: -246.327
where: short stacking energy: -91.146
Base-Backbone interact. energy: 0.311
local terms energy: -105.383205
where:
bonds (distance) C4'-P energy: -17.995
bonds (distance) P-C4' energy: -20.731
flat angles C4'-P-C4' energy: -25.775
flat angles P-C4'-P energy: -13.303
tors. eta vs tors. theta energy: -27.579
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -379.667096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.667096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.067096 (E_RNA)
where:
Base-Base interactions energy: -230.653
where: short stacking energy: -88.949
Base-Backbone interact. energy: 0.282
local terms energy: -100.695897
where:
bonds (distance) C4'-P energy: -22.265
bonds (distance) P-C4' energy: -22.206
flat angles C4'-P-C4' energy: -20.020
flat angles P-C4'-P energy: -8.720
tors. eta vs tors. theta energy: -27.485
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -349.444608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.444608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.044608 (E_RNA)
where:
Base-Base interactions energy: -198.827
where: short stacking energy: -76.819
Base-Backbone interact. energy: -0.750
local terms energy: -99.467804
where:
bonds (distance) C4'-P energy: -23.029
bonds (distance) P-C4' energy: -26.143
flat angles C4'-P-C4' energy: -20.300
flat angles P-C4'-P energy: -12.789
tors. eta vs tors. theta energy: -17.207
Dist. restrs. and SS energy: -50.400 (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: 4
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -280.261855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.261855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.261855 (E_RNA)
where:
Base-Base interactions energy: -148.836
where: short stacking energy: -64.757
Base-Backbone interact. energy: -0.323
local terms energy: -95.103709
where:
bonds (distance) C4'-P energy: -22.753
bonds (distance) P-C4' energy: -20.662
flat angles C4'-P-C4' energy: -19.822
flat angles P-C4'-P energy: -14.732
tors. eta vs tors. theta energy: -17.135
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -282.524367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.524367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.524367 (E_RNA)
where:
Base-Base interactions energy: -151.507
where: short stacking energy: -71.396
Base-Backbone interact. energy: 0.091
local terms energy: -95.107921
where:
bonds (distance) C4'-P energy: -23.432
bonds (distance) P-C4' energy: -22.169
flat angles C4'-P-C4' energy: -22.512
flat angles P-C4'-P energy: -8.915
tors. eta vs tors. theta energy: -18.080
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -280.606415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.606415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.606415 (E_RNA)
where:
Base-Base interactions energy: -159.830
where: short stacking energy: -73.507
Base-Backbone interact. energy: -0.279
local terms energy: -84.498084
where:
bonds (distance) C4'-P energy: -10.954
bonds (distance) P-C4' energy: -21.475
flat angles C4'-P-C4' energy: -21.256
flat angles P-C4'-P energy: -15.505
tors. eta vs tors. theta energy: -15.308
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -259.973905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.973905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.773905 (E_RNA)
where:
Base-Base interactions energy: -136.056
where: short stacking energy: -50.165
Base-Backbone interact. energy: -0.948
local terms energy: -79.769588
where:
bonds (distance) C4'-P energy: -19.243
bonds (distance) P-C4' energy: -19.363
flat angles C4'-P-C4' energy: -22.362
flat angles P-C4'-P energy: -16.362
tors. eta vs tors. theta energy: -2.440
Dist. restrs. and SS energy: -43.200 (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: 102
Temperature: 1.350000
Total energy: -238.382018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.382018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.182018 (E_RNA)
where:
Base-Base interactions energy: -133.241
where: short stacking energy: -60.116
Base-Backbone interact. energy: -0.226
local terms energy: -70.714782
where:
bonds (distance) C4'-P energy: -15.240
bonds (distance) P-C4' energy: -19.381
flat angles C4'-P-C4' energy: -20.632
flat angles P-C4'-P energy: -8.326
tors. eta vs tors. theta energy: -7.135
Dist. restrs. and SS energy: -34.200 (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: 3
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -419.118050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.118050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.718050 (E_RNA)
where:
Base-Base interactions energy: -248.922
where: short stacking energy: -104.058
Base-Backbone interact. energy: -0.862
local terms energy: -118.934447
where:
bonds (distance) C4'-P energy: -23.982
bonds (distance) P-C4' energy: -23.671
flat angles C4'-P-C4' energy: -24.442
flat angles P-C4'-P energy: -16.696
tors. eta vs tors. theta energy: -30.144
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -407.401808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.401808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.001808 (E_RNA)
where:
Base-Base interactions energy: -246.376
where: short stacking energy: -92.479
Base-Backbone interact. energy: 1.063
local terms energy: -111.688667
where:
bonds (distance) C4'-P energy: -22.554
bonds (distance) P-C4' energy: -20.668
flat angles C4'-P-C4' energy: -24.042
flat angles P-C4'-P energy: -21.443
tors. eta vs tors. theta energy: -22.981
Dist. restrs. and SS energy: -50.400 (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: 103
Temperature: 1.000000
Total energy: -399.783334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.783334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.383334 (E_RNA)
where:
Base-Base interactions energy: -245.356
where: short stacking energy: -91.092
Base-Backbone interact. energy: 0.185
local terms energy: -104.212842
where:
bonds (distance) C4'-P energy: -19.764
bonds (distance) P-C4' energy: -22.464
flat angles C4'-P-C4' energy: -19.444
flat angles P-C4'-P energy: -18.035
tors. eta vs tors. theta energy: -24.506
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -392.874145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.874145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.474145 (E_RNA)
where:
Base-Base interactions energy: -243.632
where: short stacking energy: -88.100
Base-Backbone interact. energy: -0.884
local terms energy: -97.957755
where:
bonds (distance) C4'-P energy: -13.433
bonds (distance) P-C4' energy: -27.086
flat angles C4'-P-C4' energy: -22.867
flat angles P-C4'-P energy: -15.296
tors. eta vs tors. theta energy: -19.275
Dist. restrs. and SS energy: -50.400 (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: 9
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -359.594659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.594659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.194659 (E_RNA)
where:
Base-Base interactions energy: -211.082
where: short stacking energy: -77.913
Base-Backbone interact. energy: -1.173
local terms energy: -96.939315
where:
bonds (distance) C4'-P energy: -21.150
bonds (distance) P-C4' energy: -23.117
flat angles C4'-P-C4' energy: -21.173
flat angles P-C4'-P energy: -12.674
tors. eta vs tors. theta energy: -18.826
Dist. restrs. and SS energy: -50.400 (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: 4
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -300.359044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.359044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.359044 (E_RNA)
where:
Base-Base interactions energy: -168.761
where: short stacking energy: -79.107
Base-Backbone interact. energy: -0.320
local terms energy: -95.278872
where:
bonds (distance) C4'-P energy: -21.279
bonds (distance) P-C4' energy: -20.359
flat angles C4'-P-C4' energy: -20.641
flat angles P-C4'-P energy: -15.637
tors. eta vs tors. theta energy: -17.362
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -284.800327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.800327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.800327 (E_RNA)
where:
Base-Base interactions energy: -151.741
where: short stacking energy: -71.603
Base-Backbone interact. energy: -0.234
local terms energy: -96.824651
where:
bonds (distance) C4'-P energy: -19.100
bonds (distance) P-C4' energy: -20.357
flat angles C4'-P-C4' energy: -24.197
flat angles P-C4'-P energy: -16.372
tors. eta vs tors. theta energy: -16.798
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -263.183266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.183266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.183266 (E_RNA)
where:
Base-Base interactions energy: -145.031
where: short stacking energy: -66.051
Base-Backbone interact. energy: -0.428
local terms energy: -81.724332
where:
bonds (distance) C4'-P energy: -15.163
bonds (distance) P-C4' energy: -21.626
flat angles C4'-P-C4' energy: -22.384
flat angles P-C4'-P energy: -11.666
tors. eta vs tors. theta energy: -10.885
Dist. restrs. and SS energy: -36.000 (S_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: 103
Temperature: 1.300000
Total energy: -247.302631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.302631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.302631 (E_RNA)
where:
Base-Base interactions energy: -135.548
where: short stacking energy: -67.480
Base-Backbone interact. energy: -0.339
local terms energy: -75.415567
where:
bonds (distance) C4'-P energy: -17.854
bonds (distance) P-C4' energy: -22.091
flat angles C4'-P-C4' energy: -11.905
flat angles P-C4'-P energy: -15.474
tors. eta vs tors. theta energy: -8.092
Dist. restrs. and SS energy: -36.000 (S_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: 103
Temperature: 1.350000
Total energy: -271.837310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.837310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.437310 (E_RNA)
where:
Base-Base interactions energy: -158.153
where: short stacking energy: -72.356
Base-Backbone interact. energy: 0.261
local terms energy: -81.544876
where:
bonds (distance) C4'-P energy: -17.989
bonds (distance) P-C4' energy: -17.143
flat angles C4'-P-C4' energy: -21.624
flat angles P-C4'-P energy: -13.588
tors. eta vs tors. theta energy: -11.200
Dist. restrs. and SS energy: -32.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -424.469708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.469708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.069708 (E_RNA)
where:
Base-Base interactions energy: -265.113
where: short stacking energy: -107.036
Base-Backbone interact. energy: -1.401
local terms energy: -107.556002
where:
bonds (distance) C4'-P energy: -18.206
bonds (distance) P-C4' energy: -18.487
flat angles C4'-P-C4' energy: -24.323
flat angles P-C4'-P energy: -16.033
tors. eta vs tors. theta energy: -30.508
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -416.213365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.213365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.813365 (E_RNA)
where:
Base-Base interactions energy: -256.804
where: short stacking energy: -101.541
Base-Backbone interact. energy: -0.918
local terms energy: -108.091641
where:
bonds (distance) C4'-P energy: -23.260
bonds (distance) P-C4' energy: -19.141
flat angles C4'-P-C4' energy: -21.489
flat angles P-C4'-P energy: -15.514
tors. eta vs tors. theta energy: -28.688
Dist. restrs. and SS energy: -50.400 (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: 104
Temperature: 1.000000
Total energy: -409.471873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.471873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.071873 (E_RNA)
where:
Base-Base interactions energy: -239.782
where: short stacking energy: -97.363
Base-Backbone interact. energy: -0.678
local terms energy: -118.612117
where:
bonds (distance) C4'-P energy: -25.675
bonds (distance) P-C4' energy: -23.886
flat angles C4'-P-C4' energy: -25.455
flat angles P-C4'-P energy: -18.141
tors. eta vs tors. theta energy: -25.455
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -395.839412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.839412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.239412 (E_RNA)
where:
Base-Base interactions energy: -242.822
where: short stacking energy: -82.712
Base-Backbone interact. energy: -0.497
local terms energy: -103.920385
where:
bonds (distance) C4'-P energy: -18.893
bonds (distance) P-C4' energy: -26.695
flat angles C4'-P-C4' energy: -20.897
flat angles P-C4'-P energy: -16.935
tors. eta vs tors. theta energy: -20.500
Dist. restrs. and SS energy: -48.600 (S_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: 104
Temperature: 1.100000
Total energy: -312.439417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.439417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.439417 (E_RNA)
where:
Base-Base interactions energy: -178.745
where: short stacking energy: -88.570
Base-Backbone interact. energy: -0.759
local terms energy: -96.935548
where:
bonds (distance) C4'-P energy: -15.162
bonds (distance) P-C4' energy: -22.789
flat angles C4'-P-C4' energy: -23.643
flat angles P-C4'-P energy: -14.278
tors. eta vs tors. theta energy: -21.063
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -372.397201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.397201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.597201 (E_RNA)
where:
Base-Base interactions energy: -214.220
where: short stacking energy: -97.407
Base-Backbone interact. energy: -0.693
local terms energy: -110.684583
where:
bonds (distance) C4'-P energy: -26.221
bonds (distance) P-C4' energy: -26.362
flat angles C4'-P-C4' energy: -19.758
flat angles P-C4'-P energy: -11.624
tors. eta vs tors. theta energy: -26.719
Dist. restrs. and SS energy: -46.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -275.334806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.334806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.334806 (E_RNA)
where:
Base-Base interactions energy: -152.453
where: short stacking energy: -75.797
Base-Backbone interact. energy: -0.441
local terms energy: -86.441262
where:
bonds (distance) C4'-P energy: -14.178
bonds (distance) P-C4' energy: -14.746
flat angles C4'-P-C4' energy: -22.636
flat angles P-C4'-P energy: -13.562
tors. eta vs tors. theta energy: -21.319
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -293.783580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.783580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.383580 (E_RNA)
where:
Base-Base interactions energy: -171.035
where: short stacking energy: -71.737
Base-Backbone interact. energy: 0.247
local terms energy: -90.595648
where:
bonds (distance) C4'-P energy: -18.046
bonds (distance) P-C4' energy: -18.866
flat angles C4'-P-C4' energy: -18.732
flat angles P-C4'-P energy: -15.831
tors. eta vs tors. theta energy: -19.121
Dist. restrs. and SS energy: -32.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -274.002835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.002835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.002835 (E_RNA)
where:
Base-Base interactions energy: -163.803
where: short stacking energy: -69.391
Base-Backbone interact. energy: 2.369
local terms energy: -76.568448
where:
bonds (distance) C4'-P energy: -12.989
bonds (distance) P-C4' energy: -18.125
flat angles C4'-P-C4' energy: -17.794
flat angles P-C4'-P energy: -15.360
tors. eta vs tors. theta energy: -12.300
Dist. restrs. and SS energy: -36.000 (S_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: 104
Temperature: 1.350000
Total energy: -246.707352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.707352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.707352 (E_RNA)
where:
Base-Base interactions energy: -119.064
where: short stacking energy: -45.917
Base-Backbone interact. energy: -0.016
local terms energy: -91.627565
where:
bonds (distance) C4'-P energy: -21.336
bonds (distance) P-C4' energy: -24.638
flat angles C4'-P-C4' energy: -22.454
flat angles P-C4'-P energy: -16.400
tors. eta vs tors. theta energy: -6.799
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -419.245668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.245668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.845668 (E_RNA)
where:
Base-Base interactions energy: -254.943
where: short stacking energy: -90.159
Base-Backbone interact. energy: -0.548
local terms energy: -113.354859
where:
bonds (distance) C4'-P energy: -18.278
bonds (distance) P-C4' energy: -24.685
flat angles C4'-P-C4' energy: -24.289
flat angles P-C4'-P energy: -14.361
tors. eta vs tors. theta energy: -31.742
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -407.747659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.747659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.347659 (E_RNA)
where:
Base-Base interactions energy: -244.908
where: short stacking energy: -100.331
Base-Backbone interact. energy: 1.099
local terms energy: -113.538973
where:
bonds (distance) C4'-P energy: -19.129
bonds (distance) P-C4' energy: -24.346
flat angles C4'-P-C4' energy: -25.036
flat angles P-C4'-P energy: -17.039
tors. eta vs tors. theta energy: -27.990
Dist. restrs. and SS energy: -50.400 (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: 105
Temperature: 1.000000
Total energy: -398.745690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.745690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.345690 (E_RNA)
where:
Base-Base interactions energy: -242.884
where: short stacking energy: -94.368
Base-Backbone interact. energy: -1.453
local terms energy: -104.009090
where:
bonds (distance) C4'-P energy: -21.249
bonds (distance) P-C4' energy: -19.675
flat angles C4'-P-C4' energy: -22.524
flat angles P-C4'-P energy: -16.961
tors. eta vs tors. theta energy: -23.601
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -384.863402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.863402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.263402 (E_RNA)
where:
Base-Base interactions energy: -227.944
where: short stacking energy: -88.608
Base-Backbone interact. energy: -0.424
local terms energy: -107.894944
where:
bonds (distance) C4'-P energy: -18.434
bonds (distance) P-C4' energy: -22.468
flat angles C4'-P-C4' energy: -19.228
flat angles P-C4'-P energy: -21.673
tors. eta vs tors. theta energy: -26.092
Dist. restrs. and SS energy: -48.600 (S_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: 105
Temperature: 1.100000
Total energy: -314.567471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.567471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.567471 (E_RNA)
where:
Base-Base interactions energy: -185.374
where: short stacking energy: -91.305
Base-Backbone interact. energy: -0.033
local terms energy: -93.160685
where:
bonds (distance) C4'-P energy: -16.691
bonds (distance) P-C4' energy: -21.551
flat angles C4'-P-C4' energy: -20.994
flat angles P-C4'-P energy: -14.124
tors. eta vs tors. theta energy: -19.801
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -343.798256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.798256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.198256 (E_RNA)
where:
Base-Base interactions energy: -203.671
where: short stacking energy: -74.132
Base-Backbone interact. energy: -0.510
local terms energy: -91.016722
where:
bonds (distance) C4'-P energy: -19.601
bonds (distance) P-C4' energy: -19.371
flat angles C4'-P-C4' energy: -20.379
flat angles P-C4'-P energy: -16.048
tors. eta vs tors. theta energy: -15.618
Dist. restrs. and SS energy: -48.600 (S_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: 105
Temperature: 1.200000
Total energy: -269.268941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.268941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.068941 (E_RNA)
where:
Base-Base interactions energy: -139.211
where: short stacking energy: -51.304
Base-Backbone interact. energy: -1.597
local terms energy: -85.260505
where:
bonds (distance) C4'-P energy: -20.748
bonds (distance) P-C4' energy: -20.826
flat angles C4'-P-C4' energy: -21.153
flat angles P-C4'-P energy: -18.956
tors. eta vs tors. theta energy: -3.577
Dist. restrs. and SS energy: -43.200 (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: 7
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -261.642164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.642164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.442164 (E_RNA)
where:
Base-Base interactions energy: -135.221
where: short stacking energy: -64.379
Base-Backbone interact. energy: -0.273
local terms energy: -91.948213
where:
bonds (distance) C4'-P energy: -27.579
bonds (distance) P-C4' energy: -19.668
flat angles C4'-P-C4' energy: -23.273
flat angles P-C4'-P energy: -16.271
tors. eta vs tors. theta energy: -5.158
Dist. restrs. and SS energy: -34.200 (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: 1
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -281.451053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.451053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.251053 (E_RNA)
where:
Base-Base interactions energy: -161.015
where: short stacking energy: -78.691
Base-Backbone interact. energy: -0.227
local terms energy: -86.009000
where:
bonds (distance) C4'-P energy: -9.934
bonds (distance) P-C4' energy: -21.630
flat angles C4'-P-C4' energy: -27.087
flat angles P-C4'-P energy: -8.820
tors. eta vs tors. theta energy: -18.539
Dist. restrs. and SS energy: -34.200 (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: 6
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -243.380004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.380004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.380004 (E_RNA)
where:
Base-Base interactions energy: -126.726
where: short stacking energy: -58.898
Base-Backbone interact. energy: -0.238
local terms energy: -80.416309
where:
bonds (distance) C4'-P energy: -18.415
bonds (distance) P-C4' energy: -20.983
flat angles C4'-P-C4' energy: -20.965
flat angles P-C4'-P energy: -11.149
tors. eta vs tors. theta energy: -8.904
Dist. restrs. and SS energy: -36.000 (S_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: 106
Temperature: 0.900000
Total energy: -414.648296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.648296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.248296 (E_RNA)
where:
Base-Base interactions energy: -260.426
where: short stacking energy: -93.346
Base-Backbone interact. energy: -0.386
local terms energy: -103.436526
where:
bonds (distance) C4'-P energy: -24.916
bonds (distance) P-C4' energy: -17.736
flat angles C4'-P-C4' energy: -18.386
flat angles P-C4'-P energy: -16.464
tors. eta vs tors. theta energy: -25.934
Dist. restrs. and SS energy: -50.400 (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: 106
Temperature: 0.950000
Total energy: -418.693788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.693788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.293788 (E_RNA)
where:
Base-Base interactions energy: -257.935
where: short stacking energy: -102.256
Base-Backbone interact. energy: -0.587
local terms energy: -109.771774
where:
bonds (distance) C4'-P energy: -22.744
bonds (distance) P-C4' energy: -16.954
flat angles C4'-P-C4' energy: -24.112
flat angles P-C4'-P energy: -16.789
tors. eta vs tors. theta energy: -29.172
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -404.587275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.587275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.987275 (E_RNA)
where:
Base-Base interactions energy: -259.099
where: short stacking energy: -98.817
Base-Backbone interact. energy: -0.715
local terms energy: -96.172561
where:
bonds (distance) C4'-P energy: -19.533
bonds (distance) P-C4' energy: -21.415
flat angles C4'-P-C4' energy: -20.544
flat angles P-C4'-P energy: -12.461
tors. eta vs tors. theta energy: -22.220
Dist. restrs. and SS energy: -48.600 (S_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: 106
Temperature: 1.050000
Total energy: -398.293062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.293062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.893062 (E_RNA)
where:
Base-Base interactions energy: -240.917
where: short stacking energy: -96.500
Base-Backbone interact. energy: -0.204
local terms energy: -106.771969
where:
bonds (distance) C4'-P energy: -19.255
bonds (distance) P-C4' energy: -22.600
flat angles C4'-P-C4' energy: -18.515
flat angles P-C4'-P energy: -19.838
tors. eta vs tors. theta energy: -26.563
Dist. restrs. and SS energy: -50.400 (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: 9
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -334.069177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.069177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.269177 (E_RNA)
where:
Base-Base interactions energy: -196.661
where: short stacking energy: -73.592
Base-Backbone interact. energy: -1.203
local terms energy: -89.405913
where:
bonds (distance) C4'-P energy: -18.151
bonds (distance) P-C4' energy: -24.636
flat angles C4'-P-C4' energy: -24.188
flat angles P-C4'-P energy: -11.062
tors. eta vs tors. theta energy: -11.370
Dist. restrs. and SS energy: -46.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -304.566829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.566829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.566829 (E_RNA)
where:
Base-Base interactions energy: -173.917
where: short stacking energy: -85.751
Base-Backbone interact. energy: -0.133
local terms energy: -94.516253
where:
bonds (distance) C4'-P energy: -18.769
bonds (distance) P-C4' energy: -18.443
flat angles C4'-P-C4' energy: -22.454
flat angles P-C4'-P energy: -8.642
tors. eta vs tors. theta energy: -26.209
Dist. restrs. and SS energy: -36.000 (S_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: 106
Temperature: 1.200000
Total energy: -262.888107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.888107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.688107 (E_RNA)
where:
Base-Base interactions energy: -133.781
where: short stacking energy: -63.386
Base-Backbone interact. energy: -0.610
local terms energy: -94.297359
where:
bonds (distance) C4'-P energy: -20.794
bonds (distance) P-C4' energy: -20.449
flat angles C4'-P-C4' energy: -26.881
flat angles P-C4'-P energy: -13.669
tors. eta vs tors. theta energy: -12.505
Dist. restrs. and SS energy: -34.200 (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: 2
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -295.077642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.077642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.877642 (E_RNA)
where:
Base-Base interactions energy: -180.131
where: short stacking energy: -75.715
Base-Backbone interact. energy: -0.569
local terms energy: -71.177816
where:
bonds (distance) C4'-P energy: -19.077
bonds (distance) P-C4' energy: -12.230
flat angles C4'-P-C4' energy: -16.918
flat angles P-C4'-P energy: -13.107
tors. eta vs tors. theta energy: -9.847
Dist. restrs. and SS energy: -43.200 (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: 1
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -262.370158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.370158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.970158 (E_RNA)
where:
Base-Base interactions energy: -146.133
where: short stacking energy: -73.193
Base-Backbone interact. energy: -0.344
local terms energy: -83.493431
where:
bonds (distance) C4'-P energy: -12.092
bonds (distance) P-C4' energy: -15.636
flat angles C4'-P-C4' energy: -23.161
flat angles P-C4'-P energy: -17.097
tors. eta vs tors. theta energy: -15.508
Dist. restrs. and SS energy: -32.400 (S_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: 106
Temperature: 1.350000
Total energy: -263.033446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.033446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.633446 (E_RNA)
where:
Base-Base interactions energy: -143.055
where: short stacking energy: -62.739
Base-Backbone interact. energy: 0.760
local terms energy: -88.338430
where:
bonds (distance) C4'-P energy: -23.256
bonds (distance) P-C4' energy: -19.194
flat angles C4'-P-C4' energy: -20.257
flat angles P-C4'-P energy: -16.622
tors. eta vs tors. theta energy: -9.009
Dist. restrs. and SS energy: -32.400 (S_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: 107
Temperature: 0.900000
Total energy: -415.814050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.814050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.414050 (E_RNA)
where:
Base-Base interactions energy: -250.689
where: short stacking energy: -93.324
Base-Backbone interact. energy: 0.125
local terms energy: -114.849898
where:
bonds (distance) C4'-P energy: -19.697
bonds (distance) P-C4' energy: -23.069
flat angles C4'-P-C4' energy: -25.999
flat angles P-C4'-P energy: -17.389
tors. eta vs tors. theta energy: -28.696
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -403.390087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.390087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.990087 (E_RNA)
where:
Base-Base interactions energy: -246.360
where: short stacking energy: -101.309
Base-Backbone interact. energy: 2.024
local terms energy: -108.654951
where:
bonds (distance) C4'-P energy: -21.406
bonds (distance) P-C4' energy: -21.373
flat angles C4'-P-C4' energy: -23.310
flat angles P-C4'-P energy: -15.834
tors. eta vs tors. theta energy: -26.732
Dist. restrs. and SS energy: -50.400 (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: 3
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -395.661055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.661055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.061055 (E_RNA)
where:
Base-Base interactions energy: -236.161
where: short stacking energy: -88.267
Base-Backbone interact. energy: -0.726
local terms energy: -110.173225
where:
bonds (distance) C4'-P energy: -21.878
bonds (distance) P-C4' energy: -23.701
flat angles C4'-P-C4' energy: -20.059
flat angles P-C4'-P energy: -18.727
tors. eta vs tors. theta energy: -25.807
Dist. restrs. and SS energy: -48.600 (S_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: 107
Temperature: 1.050000
Total energy: -390.267476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.267476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.867476 (E_RNA)
where:
Base-Base interactions energy: -236.531
where: short stacking energy: -92.876
Base-Backbone interact. energy: 2.720
local terms energy: -106.056639
where:
bonds (distance) C4'-P energy: -16.315
bonds (distance) P-C4' energy: -22.088
flat angles C4'-P-C4' energy: -25.571
flat angles P-C4'-P energy: -18.231
tors. eta vs tors. theta energy: -23.852
Dist. restrs. and SS energy: -50.400 (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: 9
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -355.533051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.533051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.333051 (E_RNA)
where:
Base-Base interactions energy: -209.613
where: short stacking energy: -84.347
Base-Backbone interact. energy: -0.303
local terms energy: -102.416914
where:
bonds (distance) C4'-P energy: -18.194
bonds (distance) P-C4' energy: -23.946
flat angles C4'-P-C4' energy: -23.991
flat angles P-C4'-P energy: -13.830
tors. eta vs tors. theta energy: -22.456
Dist. restrs. and SS energy: -43.200 (S_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: 107
Temperature: 1.150000
Total energy: -275.623024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.623024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.623024 (E_RNA)
where:
Base-Base interactions energy: -147.271
where: short stacking energy: -71.077
Base-Backbone interact. energy: -0.197
local terms energy: -92.155128
where:
bonds (distance) C4'-P energy: -22.074
bonds (distance) P-C4' energy: -23.038
flat angles C4'-P-C4' energy: -11.741
flat angles P-C4'-P energy: -17.726
tors. eta vs tors. theta energy: -17.576
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -290.090649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.090649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.090649 (E_RNA)
where:
Base-Base interactions energy: -169.846
where: short stacking energy: -77.068
Base-Backbone interact. energy: -0.648
local terms energy: -83.596164
where:
bonds (distance) C4'-P energy: -19.732
bonds (distance) P-C4' energy: -16.830
flat angles C4'-P-C4' energy: -21.357
flat angles P-C4'-P energy: -11.808
tors. eta vs tors. theta energy: -13.870
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -264.501857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.501857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.501857 (E_RNA)
where:
Base-Base interactions energy: -139.823
where: short stacking energy: -60.115
Base-Backbone interact. energy: -0.238
local terms energy: -88.441413
where:
bonds (distance) C4'-P energy: -18.450
bonds (distance) P-C4' energy: -19.864
flat angles C4'-P-C4' energy: -20.115
flat angles P-C4'-P energy: -14.048
tors. eta vs tors. theta energy: -15.965
Dist. restrs. and SS energy: -36.000 (S_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: 107
Temperature: 1.300000
Total energy: -257.047854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.047854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.847854 (E_RNA)
where:
Base-Base interactions energy: -126.631
where: short stacking energy: -51.794
Base-Backbone interact. energy: -0.596
local terms energy: -86.620861
where:
bonds (distance) C4'-P energy: -23.798
bonds (distance) P-C4' energy: -24.571
flat angles C4'-P-C4' energy: -18.252
flat angles P-C4'-P energy: -11.401
tors. eta vs tors. theta energy: -8.598
Dist. restrs. and SS energy: -43.200 (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: 6
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -256.409256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.409256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.409256 (E_RNA)
where:
Base-Base interactions energy: -141.695
where: short stacking energy: -60.160
Base-Backbone interact. energy: -0.415
local terms energy: -78.298967
where:
bonds (distance) C4'-P energy: -11.974
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -20.241
flat angles P-C4'-P energy: -10.788
tors. eta vs tors. theta energy: -18.689
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -413.645125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.645125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.045125 (E_RNA)
where:
Base-Base interactions energy: -240.670
where: short stacking energy: -99.917
Base-Backbone interact. energy: -0.887
local terms energy: -123.487724
where:
bonds (distance) C4'-P energy: -26.180
bonds (distance) P-C4' energy: -22.041
flat angles C4'-P-C4' energy: -27.348
flat angles P-C4'-P energy: -18.107
tors. eta vs tors. theta energy: -29.811
Dist. restrs. and SS energy: -48.600 (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: 10
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -416.065468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.065468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.665468 (E_RNA)
where:
Base-Base interactions energy: -263.649
where: short stacking energy: -98.418
Base-Backbone interact. energy: -2.055
local terms energy: -99.961285
where:
bonds (distance) C4'-P energy: -23.109
bonds (distance) P-C4' energy: -20.478
flat angles C4'-P-C4' energy: -20.731
flat angles P-C4'-P energy: -10.390
tors. eta vs tors. theta energy: -25.252
Dist. restrs. and SS energy: -50.400 (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: 3
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -402.686760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.686760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.286760 (E_RNA)
where:
Base-Base interactions energy: -240.958
where: short stacking energy: -92.274
Base-Backbone interact. energy: -0.972
local terms energy: -110.356754
where:
bonds (distance) C4'-P energy: -23.333
bonds (distance) P-C4' energy: -24.568
flat angles C4'-P-C4' energy: -26.085
flat angles P-C4'-P energy: -11.395
tors. eta vs tors. theta energy: -24.976
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -389.626034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.626034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.026034 (E_RNA)
where:
Base-Base interactions energy: -241.132
where: short stacking energy: -99.623
Base-Backbone interact. energy: -0.983
local terms energy: -98.910838
where:
bonds (distance) C4'-P energy: -19.739
bonds (distance) P-C4' energy: -16.070
flat angles C4'-P-C4' energy: -22.709
flat angles P-C4'-P energy: -14.018
tors. eta vs tors. theta energy: -26.376
Dist. restrs. and SS energy: -48.600 (S_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: 108
Temperature: 1.100000
Total energy: -360.517462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.517462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.917462 (E_RNA)
where:
Base-Base interactions energy: -219.162
where: short stacking energy: -85.755
Base-Backbone interact. energy: -0.144
local terms energy: -92.611868
where:
bonds (distance) C4'-P energy: -14.808
bonds (distance) P-C4' energy: -23.797
flat angles C4'-P-C4' energy: -18.520
flat angles P-C4'-P energy: -10.498
tors. eta vs tors. theta energy: -24.989
Dist. restrs. and SS energy: -48.600 (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: 7
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -304.036055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.036055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.036055 (E_RNA)
where:
Base-Base interactions energy: -167.287
where: short stacking energy: -80.105
Base-Backbone interact. energy: -0.134
local terms energy: -100.614787
where:
bonds (distance) C4'-P energy: -23.066
bonds (distance) P-C4' energy: -24.610
flat angles C4'-P-C4' energy: -22.029
flat angles P-C4'-P energy: -9.805
tors. eta vs tors. theta energy: -21.105
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -285.191407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.191407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.191407 (E_RNA)
where:
Base-Base interactions energy: -155.891
where: short stacking energy: -63.960
Base-Backbone interact. energy: -0.354
local terms energy: -92.946073
where:
bonds (distance) C4'-P energy: -25.262
bonds (distance) P-C4' energy: -23.688
flat angles C4'-P-C4' energy: -20.028
flat angles P-C4'-P energy: -14.571
tors. eta vs tors. theta energy: -9.397
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -268.200427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.200427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.200427 (E_RNA)
where:
Base-Base interactions energy: -147.627
where: short stacking energy: -66.663
Base-Backbone interact. energy: -0.071
local terms energy: -84.502278
where:
bonds (distance) C4'-P energy: -14.836
bonds (distance) P-C4' energy: -21.383
flat angles C4'-P-C4' energy: -21.560
flat angles P-C4'-P energy: -8.554
tors. eta vs tors. theta energy: -18.169
Dist. restrs. and SS energy: -36.000 (S_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: -257.706750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.706750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.706750 (E_RNA)
where:
Base-Base interactions energy: -141.549
where: short stacking energy: -59.532
Base-Backbone interact. energy: -0.483
local terms energy: -79.674501
where:
bonds (distance) C4'-P energy: -18.646
bonds (distance) P-C4' energy: -24.197
flat angles C4'-P-C4' energy: -12.291
flat angles P-C4'-P energy: -13.383
tors. eta vs tors. theta energy: -11.158
Dist. restrs. and SS energy: -36.000 (S_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: 108
Temperature: 1.350000
Total energy: -234.623214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.623214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.623214 (E_RNA)
where:
Base-Base interactions energy: -131.639
where: short stacking energy: -62.293
Base-Backbone interact. energy: -0.505
local terms energy: -66.479028
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -21.827
flat angles C4'-P-C4' energy: -10.419
flat angles P-C4'-P energy: -14.586
tors. eta vs tors. theta energy: -4.746
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -421.008078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.008078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.608078 (E_RNA)
where:
Base-Base interactions energy: -263.819
where: short stacking energy: -104.096
Base-Backbone interact. energy: -1.274
local terms energy: -105.514742
where:
bonds (distance) C4'-P energy: -20.318
bonds (distance) P-C4' energy: -23.351
flat angles C4'-P-C4' energy: -22.248
flat angles P-C4'-P energy: -12.510
tors. eta vs tors. theta energy: -27.088
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -406.431440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.431440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.031440 (E_RNA)
where:
Base-Base interactions energy: -244.783
where: short stacking energy: -93.292
Base-Backbone interact. energy: -1.602
local terms energy: -109.646775
where:
bonds (distance) C4'-P energy: -20.837
bonds (distance) P-C4' energy: -22.589
flat angles C4'-P-C4' energy: -21.757
flat angles P-C4'-P energy: -19.084
tors. eta vs tors. theta energy: -25.379
Dist. restrs. and SS energy: -50.400 (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: 3
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -397.833917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.833917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.233917 (E_RNA)
where:
Base-Base interactions energy: -245.135
where: short stacking energy: -99.129
Base-Backbone interact. energy: 0.017
local terms energy: -104.115046
where:
bonds (distance) C4'-P energy: -22.521
bonds (distance) P-C4' energy: -19.992
flat angles C4'-P-C4' energy: -25.067
flat angles P-C4'-P energy: -14.946
tors. eta vs tors. theta energy: -21.588
Dist. restrs. and SS energy: -48.600 (S_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: 109
Temperature: 1.050000
Total energy: -380.192410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.192410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.192410 (E_RNA)
where:
Base-Base interactions energy: -232.941
where: short stacking energy: -88.390
Base-Backbone interact. energy: 0.340
local terms energy: -102.591423
where:
bonds (distance) C4'-P energy: -20.296
bonds (distance) P-C4' energy: -22.250
flat angles C4'-P-C4' energy: -22.381
flat angles P-C4'-P energy: -16.855
tors. eta vs tors. theta energy: -20.809
Dist. restrs. and SS energy: -45.000 (S_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: 109
Temperature: 1.100000
Total energy: -357.610618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.610618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.010618 (E_RNA)
where:
Base-Base interactions energy: -214.108
where: short stacking energy: -81.202
Base-Backbone interact. energy: -0.805
local terms energy: -94.097789
where:
bonds (distance) C4'-P energy: -18.091
bonds (distance) P-C4' energy: -19.675
flat angles C4'-P-C4' energy: -22.015
flat angles P-C4'-P energy: -15.862
tors. eta vs tors. theta energy: -18.455
Dist. restrs. and SS energy: -48.600 (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: 7
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -308.475470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.475470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.875470 (E_RNA)
where:
Base-Base interactions energy: -183.938
where: short stacking energy: -75.559
Base-Backbone interact. energy: -1.324
local terms energy: -83.612973
where:
bonds (distance) C4'-P energy: -16.645
bonds (distance) P-C4' energy: -23.106
flat angles C4'-P-C4' energy: -20.712
flat angles P-C4'-P energy: -5.346
tors. eta vs tors. theta energy: -17.804
Dist. restrs. and SS energy: -39.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -288.038939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.038939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.038939 (E_RNA)
where:
Base-Base interactions energy: -163.352
where: short stacking energy: -85.609
Base-Backbone interact. energy: -0.009
local terms energy: -88.677483
where:
bonds (distance) C4'-P energy: -13.860
bonds (distance) P-C4' energy: -22.225
flat angles C4'-P-C4' energy: -21.411
flat angles P-C4'-P energy: -9.387
tors. eta vs tors. theta energy: -21.794
Dist. restrs. and SS energy: -36.000 (S_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: -262.160761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.160761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.560761 (E_RNA)
where:
Base-Base interactions energy: -137.672
where: short stacking energy: -50.062
Base-Backbone interact. energy: -0.249
local terms energy: -84.639329
where:
bonds (distance) C4'-P energy: -22.562
bonds (distance) P-C4' energy: -20.291
flat angles C4'-P-C4' energy: -18.000
flat angles P-C4'-P energy: -12.239
tors. eta vs tors. theta energy: -11.548
Dist. restrs. and SS energy: -39.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -252.843492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.843492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.843492 (E_RNA)
where:
Base-Base interactions energy: -145.610
where: short stacking energy: -63.251
Base-Backbone interact. energy: -0.167
local terms energy: -71.066374
where:
bonds (distance) C4'-P energy: -21.157
bonds (distance) P-C4' energy: -15.127
flat angles C4'-P-C4' energy: -19.591
flat angles P-C4'-P energy: -8.812
tors. eta vs tors. theta energy: -6.380
Dist. restrs. and SS energy: -36.000 (S_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: 109
Temperature: 1.350000
Total energy: -267.064504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.064504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.864504 (E_RNA)
where:
Base-Base interactions energy: -158.430
where: short stacking energy: -60.363
Base-Backbone interact. energy: -0.313
local terms energy: -65.121415
where:
bonds (distance) C4'-P energy: -10.003
bonds (distance) P-C4' energy: -18.329
flat angles C4'-P-C4' energy: -18.779
flat angles P-C4'-P energy: -6.239
tors. eta vs tors. theta energy: -11.772
Dist. restrs. and SS energy: -43.200 (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: 10
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -415.434622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.434622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.034622 (E_RNA)
where:
Base-Base interactions energy: -258.305
where: short stacking energy: -99.211
Base-Backbone interact. energy: -0.474
local terms energy: -106.255484
where:
bonds (distance) C4'-P energy: -19.880
bonds (distance) P-C4' energy: -21.587
flat angles C4'-P-C4' energy: -19.033
flat angles P-C4'-P energy: -17.160
tors. eta vs tors. theta energy: -28.595
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -409.857813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.857813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.457813 (E_RNA)
where:
Base-Base interactions energy: -246.490
where: short stacking energy: -98.685
Base-Backbone interact. energy: -0.846
local terms energy: -112.121714
where:
bonds (distance) C4'-P energy: -20.223
bonds (distance) P-C4' energy: -23.612
flat angles C4'-P-C4' energy: -24.414
flat angles P-C4'-P energy: -16.315
tors. eta vs tors. theta energy: -27.558
Dist. restrs. and SS energy: -50.400 (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: 3
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -385.959818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.959818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.559818 (E_RNA)
where:
Base-Base interactions energy: -237.185
where: short stacking energy: -85.152
Base-Backbone interact. energy: 3.033
local terms energy: -101.407444
where:
bonds (distance) C4'-P energy: -16.683
bonds (distance) P-C4' energy: -23.158
flat angles C4'-P-C4' energy: -23.216
flat angles P-C4'-P energy: -17.523
tors. eta vs tors. theta energy: -20.827
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -394.766359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.766359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.366359 (E_RNA)
where:
Base-Base interactions energy: -237.682
where: short stacking energy: -93.608
Base-Backbone interact. energy: -0.775
local terms energy: -105.909331
where:
bonds (distance) C4'-P energy: -26.294
bonds (distance) P-C4' energy: -17.329
flat angles C4'-P-C4' energy: -18.693
flat angles P-C4'-P energy: -17.452
tors. eta vs tors. theta energy: -26.142
Dist. restrs. and SS energy: -50.400 (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: 9
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -346.027244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.027244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.427244 (E_RNA)
where:
Base-Base interactions energy: -197.969
where: short stacking energy: -72.863
Base-Backbone interact. energy: -1.484
local terms energy: -97.974271
where:
bonds (distance) C4'-P energy: -19.113
bonds (distance) P-C4' energy: -17.681
flat angles C4'-P-C4' energy: -24.199
flat angles P-C4'-P energy: -18.789
tors. eta vs tors. theta energy: -18.193
Dist. restrs. and SS energy: -48.600 (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: 7
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -302.025993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.025993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.025993 (E_RNA)
where:
Base-Base interactions energy: -170.324
where: short stacking energy: -79.015
Base-Backbone interact. energy: -0.219
local terms energy: -95.483254
where:
bonds (distance) C4'-P energy: -17.280
bonds (distance) P-C4' energy: -23.703
flat angles C4'-P-C4' energy: -20.769
flat angles P-C4'-P energy: -13.372
tors. eta vs tors. theta energy: -20.359
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -286.100540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.100540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.100540 (E_RNA)
where:
Base-Base interactions energy: -156.304
where: short stacking energy: -69.266
Base-Backbone interact. energy: -0.806
local terms energy: -92.989806
where:
bonds (distance) C4'-P energy: -22.904
bonds (distance) P-C4' energy: -20.786
flat angles C4'-P-C4' energy: -17.623
flat angles P-C4'-P energy: -18.159
tors. eta vs tors. theta energy: -13.518
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -277.894313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.894313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.894313 (E_RNA)
where:
Base-Base interactions energy: -161.516
where: short stacking energy: -74.407
Base-Backbone interact. energy: -0.368
local terms energy: -80.010137
where:
bonds (distance) C4'-P energy: -17.689
bonds (distance) P-C4' energy: -16.185
flat angles C4'-P-C4' energy: -21.174
flat angles P-C4'-P energy: -11.355
tors. eta vs tors. theta energy: -13.607
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -249.753858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.753858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.753858 (E_RNA)
where:
Base-Base interactions energy: -135.069
where: short stacking energy: -59.009
Base-Backbone interact. energy: -1.111
local terms energy: -77.573309
where:
bonds (distance) C4'-P energy: -20.674
bonds (distance) P-C4' energy: -16.230
flat angles C4'-P-C4' energy: -16.193
flat angles P-C4'-P energy: -13.751
tors. eta vs tors. theta energy: -10.724
Dist. restrs. and SS energy: -36.000 (S_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: -273.742061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.742061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.742061 (E_RNA)
where:
Base-Base interactions energy: -158.168
where: short stacking energy: -74.182
Base-Backbone interact. energy: -1.208
local terms energy: -78.365716
where:
bonds (distance) C4'-P energy: -12.245
bonds (distance) P-C4' energy: -13.651
flat angles C4'-P-C4' energy: -18.437
flat angles P-C4'-P energy: -16.518
tors. eta vs tors. theta energy: -17.516
Dist. restrs. and SS energy: -36.000 (S_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: 111
Temperature: 0.900000
Total energy: -414.621637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.621637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.221637 (E_RNA)
where:
Base-Base interactions energy: -258.897
where: short stacking energy: -101.309
Base-Backbone interact. energy: -1.156
local terms energy: -113.168527
where:
bonds (distance) C4'-P energy: -20.542
bonds (distance) P-C4' energy: -25.539
flat angles C4'-P-C4' energy: -19.742
flat angles P-C4'-P energy: -19.882
tors. eta vs tors. theta energy: -27.464
Dist. restrs. and SS energy: -41.400 (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: 111
Temperature: 0.950000
Total energy: -392.438152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.438152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.038152 (E_RNA)
where:
Base-Base interactions energy: -235.676
where: short stacking energy: -88.660
Base-Backbone interact. energy: -0.495
local terms energy: -105.867615
where:
bonds (distance) C4'-P energy: -24.065
bonds (distance) P-C4' energy: -22.589
flat angles C4'-P-C4' energy: -23.827
flat angles P-C4'-P energy: -15.181
tors. eta vs tors. theta energy: -20.206
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -393.159092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.159092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.359092 (E_RNA)
where:
Base-Base interactions energy: -246.690
where: short stacking energy: -90.505
Base-Backbone interact. energy: -0.866
local terms energy: -98.802702
where:
bonds (distance) C4'-P energy: -13.076
bonds (distance) P-C4' energy: -24.772
flat angles C4'-P-C4' energy: -20.581
flat angles P-C4'-P energy: -15.739
tors. eta vs tors. theta energy: -24.634
Dist. restrs. and SS energy: -46.800 (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: 8
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -383.417397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.417397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.617397 (E_RNA)
where:
Base-Base interactions energy: -234.915
where: short stacking energy: -89.556
Base-Backbone interact. energy: -0.171
local terms energy: -101.531038
where:
bonds (distance) C4'-P energy: -21.385
bonds (distance) P-C4' energy: -13.990
flat angles C4'-P-C4' energy: -24.914
flat angles P-C4'-P energy: -17.125
tors. eta vs tors. theta energy: -24.116
Dist. restrs. and SS energy: -46.800 (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: 9
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -352.873063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.873063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.473063 (E_RNA)
where:
Base-Base interactions energy: -211.703
where: short stacking energy: -73.483
Base-Backbone interact. energy: -1.417
local terms energy: -98.353508
where:
bonds (distance) C4'-P energy: -17.579
bonds (distance) P-C4' energy: -22.820
flat angles C4'-P-C4' energy: -22.473
flat angles P-C4'-P energy: -19.854
tors. eta vs tors. theta energy: -15.628
Dist. restrs. and SS energy: -41.400 (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: 7
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -297.062328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.062328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.062328 (E_RNA)
where:
Base-Base interactions energy: -170.807
where: short stacking energy: -70.045
Base-Backbone interact. energy: -0.351
local terms energy: -89.903592
where:
bonds (distance) C4'-P energy: -19.569
bonds (distance) P-C4' energy: -20.004
flat angles C4'-P-C4' energy: -21.843
flat angles P-C4'-P energy: -14.010
tors. eta vs tors. theta energy: -14.478
Dist. restrs. and SS energy: -36.000 (S_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: 111
Temperature: 1.200000
Total energy: -277.764616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.764616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.964616 (E_RNA)
where:
Base-Base interactions energy: -161.733
where: short stacking energy: -76.381
Base-Backbone interact. energy: -0.104
local terms energy: -87.127605
where:
bonds (distance) C4'-P energy: -19.738
bonds (distance) P-C4' energy: -21.940
flat angles C4'-P-C4' energy: -17.009
flat angles P-C4'-P energy: -6.870
tors. eta vs tors. theta energy: -21.570
Dist. restrs. and SS energy: -28.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -283.585748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.585748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.585748 (E_RNA)
where:
Base-Base interactions energy: -156.034
where: short stacking energy: -72.878
Base-Backbone interact. energy: -0.207
local terms energy: -91.345248
where:
bonds (distance) C4'-P energy: -19.979
bonds (distance) P-C4' energy: -20.081
flat angles C4'-P-C4' energy: -21.818
flat angles P-C4'-P energy: -14.394
tors. eta vs tors. theta energy: -15.073
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -267.493351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.493351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.493351 (E_RNA)
where:
Base-Base interactions energy: -143.342
where: short stacking energy: -64.729
Base-Backbone interact. energy: -0.388
local terms energy: -87.763333
where:
bonds (distance) C4'-P energy: -17.167
bonds (distance) P-C4' energy: -19.483
flat angles C4'-P-C4' energy: -20.908
flat angles P-C4'-P energy: -15.513
tors. eta vs tors. theta energy: -14.692
Dist. restrs. and SS energy: -36.000 (S_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: -269.997158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.997158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.997158 (E_RNA)
where:
Base-Base interactions energy: -153.945
where: short stacking energy: -69.727
Base-Backbone interact. energy: 0.170
local terms energy: -80.222911
where:
bonds (distance) C4'-P energy: -17.839
bonds (distance) P-C4' energy: -19.366
flat angles C4'-P-C4' energy: -18.490
flat angles P-C4'-P energy: -6.577
tors. eta vs tors. theta energy: -17.951
Dist. restrs. and SS energy: -36.000 (S_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: 112
Temperature: 0.900000
Total energy: -418.672588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.672588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.872588 (E_RNA)
where:
Base-Base interactions energy: -257.915
where: short stacking energy: -107.331
Base-Backbone interact. energy: -1.581
local terms energy: -112.376861
where:
bonds (distance) C4'-P energy: -21.539
bonds (distance) P-C4' energy: -19.517
flat angles C4'-P-C4' energy: -26.008
flat angles P-C4'-P energy: -16.666
tors. eta vs tors. theta energy: -28.647
Dist. restrs. and SS energy: -46.800 (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: 3
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -397.381196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.381196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.981196 (E_RNA)
where:
Base-Base interactions energy: -242.265
where: short stacking energy: -91.484
Base-Backbone interact. energy: 0.858
local terms energy: -105.573900
where:
bonds (distance) C4'-P energy: -22.258
bonds (distance) P-C4' energy: -20.701
flat angles C4'-P-C4' energy: -22.373
flat angles P-C4'-P energy: -16.811
tors. eta vs tors. theta energy: -23.431
Dist. restrs. and SS energy: -50.400 (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: 112
Temperature: 1.000000
Total energy: -403.852706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.852706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.252706 (E_RNA)
where:
Base-Base interactions energy: -246.591
where: short stacking energy: -97.285
Base-Backbone interact. energy: -0.382
local terms energy: -108.279722
where:
bonds (distance) C4'-P energy: -17.594
bonds (distance) P-C4' energy: -20.437
flat angles C4'-P-C4' energy: -26.715
flat angles P-C4'-P energy: -16.694
tors. eta vs tors. theta energy: -26.839
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -383.512813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.512813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.712813 (E_RNA)
where:
Base-Base interactions energy: -244.722
where: short stacking energy: -103.744
Base-Backbone interact. energy: 0.969
local terms energy: -92.959383
where:
bonds (distance) C4'-P energy: -17.353
bonds (distance) P-C4' energy: -20.759
flat angles C4'-P-C4' energy: -19.885
flat angles P-C4'-P energy: -9.887
tors. eta vs tors. theta energy: -25.076
Dist. restrs. and SS energy: -46.800 (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: 9
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -354.536872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.536872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.136872 (E_RNA)
where:
Base-Base interactions energy: -220.571
where: short stacking energy: -75.918
Base-Backbone interact. energy: 0.063
local terms energy: -92.628573
where:
bonds (distance) C4'-P energy: -21.236
bonds (distance) P-C4' energy: -18.021
flat angles C4'-P-C4' energy: -23.836
flat angles P-C4'-P energy: -15.737
tors. eta vs tors. theta energy: -13.799
Dist. restrs. and SS energy: -41.400 (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: 7
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -303.803750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.803750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.803750 (E_RNA)
where:
Base-Base interactions energy: -178.495
where: short stacking energy: -86.873
Base-Backbone interact. energy: -0.243
local terms energy: -89.065124
where:
bonds (distance) C4'-P energy: -17.305
bonds (distance) P-C4' energy: -21.174
flat angles C4'-P-C4' energy: -19.141
flat angles P-C4'-P energy: -7.664
tors. eta vs tors. theta energy: -23.781
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -287.874187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.874187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.874187 (E_RNA)
where:
Base-Base interactions energy: -157.384
where: short stacking energy: -78.794
Base-Backbone interact. energy: -0.277
local terms energy: -94.213207
where:
bonds (distance) C4'-P energy: -12.229
bonds (distance) P-C4' energy: -25.119
flat angles C4'-P-C4' energy: -22.028
flat angles P-C4'-P energy: -13.097
tors. eta vs tors. theta energy: -21.741
Dist. restrs. and SS energy: -36.000 (S_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: 112
Temperature: 1.250000
Total energy: -279.722328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.722328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.522328 (E_RNA)
where:
Base-Base interactions energy: -154.618
where: short stacking energy: -67.219
Base-Backbone interact. energy: -0.234
local terms energy: -90.671011
where:
bonds (distance) C4'-P energy: -19.762
bonds (distance) P-C4' energy: -23.477
flat angles C4'-P-C4' energy: -12.483
flat angles P-C4'-P energy: -16.374
tors. eta vs tors. theta energy: -18.575
Dist. restrs. and SS energy: -34.200 (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: 2
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -263.435759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.435759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.435759 (E_RNA)
where:
Base-Base interactions energy: -156.505
where: short stacking energy: -57.620
Base-Backbone interact. energy: -0.328
local terms energy: -70.602515
where:
bonds (distance) C4'-P energy: -12.956
bonds (distance) P-C4' energy: -19.206
flat angles C4'-P-C4' energy: -16.792
flat angles P-C4'-P energy: -15.015
tors. eta vs tors. theta energy: -6.633
Dist. restrs. and SS energy: -36.000 (S_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: -254.854747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.854747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.854747 (E_RNA)
where:
Base-Base interactions energy: -148.558
where: short stacking energy: -56.219
Base-Backbone interact. energy: -0.684
local terms energy: -69.612541
where:
bonds (distance) C4'-P energy: -17.099
bonds (distance) P-C4' energy: -21.059
flat angles C4'-P-C4' energy: -17.574
flat angles P-C4'-P energy: -8.032
tors. eta vs tors. theta energy: -5.849
Dist. restrs. and SS energy: -36.000 (S_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: 113
Temperature: 0.900000
Total energy: -413.864314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.864314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.064314 (E_RNA)
where:
Base-Base interactions energy: -252.612
where: short stacking energy: -96.602
Base-Backbone interact. energy: -0.703
local terms energy: -113.749281
where:
bonds (distance) C4'-P energy: -24.213
bonds (distance) P-C4' energy: -21.552
flat angles C4'-P-C4' energy: -17.991
flat angles P-C4'-P energy: -19.375
tors. eta vs tors. theta energy: -30.618
Dist. restrs. and SS energy: -46.800 (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: 8
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -405.826839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.826839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.426839 (E_RNA)
where:
Base-Base interactions energy: -242.241
where: short stacking energy: -87.835
Base-Backbone interact. energy: -1.106
local terms energy: -112.080384
where:
bonds (distance) C4'-P energy: -20.798
bonds (distance) P-C4' energy: -21.986
flat angles C4'-P-C4' energy: -25.469
flat angles P-C4'-P energy: -19.629
tors. eta vs tors. theta energy: -24.200
Dist. restrs. and SS energy: -50.400 (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: 3
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -392.381999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.381999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.981999 (E_RNA)
where:
Base-Base interactions energy: -235.132
where: short stacking energy: -93.636
Base-Backbone interact. energy: -1.104
local terms energy: -105.745336
where:
bonds (distance) C4'-P energy: -20.286
bonds (distance) P-C4' energy: -20.588
flat angles C4'-P-C4' energy: -25.114
flat angles P-C4'-P energy: -12.866
tors. eta vs tors. theta energy: -26.891
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -339.332481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.332481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.132481 (E_RNA)
where:
Base-Base interactions energy: -208.264
where: short stacking energy: -80.830
Base-Backbone interact. energy: -0.521
local terms energy: -87.347122
where:
bonds (distance) C4'-P energy: -22.938
bonds (distance) P-C4' energy: -17.845
flat angles C4'-P-C4' energy: -20.662
flat angles P-C4'-P energy: -12.545
tors. eta vs tors. theta energy: -13.358
Dist. restrs. and SS energy: -43.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -388.741367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.741367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.341367 (E_RNA)
where:
Base-Base interactions energy: -237.259
where: short stacking energy: -88.652
Base-Backbone interact. energy: -0.154
local terms energy: -100.928629
where:
bonds (distance) C4'-P energy: -22.146
bonds (distance) P-C4' energy: -20.334
flat angles C4'-P-C4' energy: -19.455
flat angles P-C4'-P energy: -15.940
tors. eta vs tors. theta energy: -23.052
Dist. restrs. and SS energy: -50.400 (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: 4
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -311.321722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.321722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.121722 (E_RNA)
where:
Base-Base interactions energy: -181.579
where: short stacking energy: -86.458
Base-Backbone interact. energy: -0.016
local terms energy: -95.526935
where:
bonds (distance) C4'-P energy: -19.404
bonds (distance) P-C4' energy: -23.301
flat angles C4'-P-C4' energy: -18.804
flat angles P-C4'-P energy: -9.507
tors. eta vs tors. theta energy: -24.511
Dist. restrs. and SS energy: -34.200 (S_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: 113
Temperature: 1.200000
Total energy: -283.334307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.334307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.334307 (E_RNA)
where:
Base-Base interactions energy: -162.200
where: short stacking energy: -69.678
Base-Backbone interact. energy: -0.644
local terms energy: -84.489555
where:
bonds (distance) C4'-P energy: -21.651
bonds (distance) P-C4' energy: -19.146
flat angles C4'-P-C4' energy: -22.483
flat angles P-C4'-P energy: -9.344
tors. eta vs tors. theta energy: -11.866
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -281.486765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.486765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.286765 (E_RNA)
where:
Base-Base interactions energy: -163.490
where: short stacking energy: -66.520
Base-Backbone interact. energy: -0.268
local terms energy: -83.528486
where:
bonds (distance) C4'-P energy: -16.434
bonds (distance) P-C4' energy: -21.143
flat angles C4'-P-C4' energy: -21.195
flat angles P-C4'-P energy: -16.570
tors. eta vs tors. theta energy: -8.187
Dist. restrs. and SS energy: -34.200 (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: 1
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -261.042673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.042673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.042673 (E_RNA)
where:
Base-Base interactions energy: -140.527
where: short stacking energy: -62.455
Base-Backbone interact. energy: -1.158
local terms energy: -83.357312
where:
bonds (distance) C4'-P energy: -23.142
bonds (distance) P-C4' energy: -21.205
flat angles C4'-P-C4' energy: -24.068
flat angles P-C4'-P energy: -9.666
tors. eta vs tors. theta energy: -5.276
Dist. restrs. and SS energy: -36.000 (S_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: -243.678233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.678233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.678233 (E_RNA)
where:
Base-Base interactions energy: -130.361
where: short stacking energy: -52.827
Base-Backbone interact. energy: -0.564
local terms energy: -76.753297
where:
bonds (distance) C4'-P energy: -20.764
bonds (distance) P-C4' energy: -16.259
flat angles C4'-P-C4' energy: -17.704
flat angles P-C4'-P energy: -11.739
tors. eta vs tors. theta energy: -10.286
Dist. restrs. and SS energy: -36.000 (S_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: 114
Temperature: 0.900000
Total energy: -410.345239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.345239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.745239 (E_RNA)
where:
Base-Base interactions energy: -242.828
where: short stacking energy: -94.460
Base-Backbone interact. energy: -0.339
local terms energy: -118.578925
where:
bonds (distance) C4'-P energy: -23.370
bonds (distance) P-C4' energy: -19.369
flat angles C4'-P-C4' energy: -27.475
flat angles P-C4'-P energy: -18.891
tors. eta vs tors. theta energy: -29.475
Dist. restrs. and SS energy: -48.600 (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: 8
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -424.963220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.963220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.563220 (E_RNA)
where:
Base-Base interactions energy: -262.207
where: short stacking energy: -106.625
Base-Backbone interact. energy: -1.417
local terms energy: -110.938883
where:
bonds (distance) C4'-P energy: -22.765
bonds (distance) P-C4' energy: -26.890
flat angles C4'-P-C4' energy: -18.050
flat angles P-C4'-P energy: -14.224
tors. eta vs tors. theta energy: -29.010
Dist. restrs. and SS energy: -50.400 (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: 3
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -403.077149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.077149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.677149 (E_RNA)
where:
Base-Base interactions energy: -237.145
where: short stacking energy: -90.985
Base-Backbone interact. energy: -0.732
local terms energy: -114.799829
where:
bonds (distance) C4'-P energy: -22.225
bonds (distance) P-C4' energy: -24.039
flat angles C4'-P-C4' energy: -24.825
flat angles P-C4'-P energy: -15.640
tors. eta vs tors. theta energy: -28.071
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -351.625668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.625668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.425668 (E_RNA)
where:
Base-Base interactions energy: -205.296
where: short stacking energy: -91.459
Base-Backbone interact. energy: -0.272
local terms energy: -102.857502
where:
bonds (distance) C4'-P energy: -24.443
bonds (distance) P-C4' energy: -23.298
flat angles C4'-P-C4' energy: -22.817
flat angles P-C4'-P energy: -15.636
tors. eta vs tors. theta energy: -16.663
Dist. restrs. and SS energy: -43.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -397.164778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.164778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.564778 (E_RNA)
where:
Base-Base interactions energy: -243.993
where: short stacking energy: -104.865
Base-Backbone interact. energy: -1.464
local terms energy: -103.107729
where:
bonds (distance) C4'-P energy: -20.156
bonds (distance) P-C4' energy: -20.784
flat angles C4'-P-C4' energy: -16.456
flat angles P-C4'-P energy: -17.353
tors. eta vs tors. theta energy: -28.359
Dist. restrs. and SS energy: -48.600 (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: 4
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -291.329410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.329410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.129410 (E_RNA)
where:
Base-Base interactions energy: -160.616
where: short stacking energy: -77.050
Base-Backbone interact. energy: 0.291
local terms energy: -96.804346
where:
bonds (distance) C4'-P energy: -22.938
bonds (distance) P-C4' energy: -24.902
flat angles C4'-P-C4' energy: -19.616
flat angles P-C4'-P energy: -12.920
tors. eta vs tors. theta energy: -16.428
Dist. restrs. and SS energy: -34.200 (S_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: 114
Temperature: 1.200000
Total energy: -294.477007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.477007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.477007 (E_RNA)
where:
Base-Base interactions energy: -161.274
where: short stacking energy: -75.291
Base-Backbone interact. energy: 0.094
local terms energy: -97.297573
where:
bonds (distance) C4'-P energy: -17.045
bonds (distance) P-C4' energy: -26.171
flat angles C4'-P-C4' energy: -11.788
flat angles P-C4'-P energy: -19.315
tors. eta vs tors. theta energy: -22.978
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -283.128833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.128833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.128833 (E_RNA)
where:
Base-Base interactions energy: -154.797
where: short stacking energy: -74.227
Base-Backbone interact. energy: -0.157
local terms energy: -92.174780
where:
bonds (distance) C4'-P energy: -17.420
bonds (distance) P-C4' energy: -22.460
flat angles C4'-P-C4' energy: -19.494
flat angles P-C4'-P energy: -18.013
tors. eta vs tors. theta energy: -14.788
Dist. restrs. and SS energy: -36.000 (S_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: 114
Temperature: 1.300000
Total energy: -238.695848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.695848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.495848 (E_RNA)
where:
Base-Base interactions energy: -124.386
where: short stacking energy: -52.495
Base-Backbone interact. energy: -1.230
local terms energy: -78.879556
where:
bonds (distance) C4'-P energy: -19.569
bonds (distance) P-C4' energy: -20.034
flat angles C4'-P-C4' energy: -13.371
flat angles P-C4'-P energy: -18.305
tors. eta vs tors. theta energy: -7.599
Dist. restrs. and SS energy: -34.200 (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: 1
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -262.039876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.039876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.039876 (E_RNA)
where:
Base-Base interactions energy: -144.210
where: short stacking energy: -60.214
Base-Backbone interact. energy: -0.218
local terms energy: -81.611736
where:
bonds (distance) C4'-P energy: -24.717
bonds (distance) P-C4' energy: -18.079
flat angles C4'-P-C4' energy: -19.641
flat angles P-C4'-P energy: -8.204
tors. eta vs tors. theta energy: -10.970
Dist. restrs. and SS energy: -36.000 (S_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: 115
Temperature: 0.900000
Total energy: -420.546239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.546239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.946239 (E_RNA)
where:
Base-Base interactions energy: -269.698
where: short stacking energy: -101.038
Base-Backbone interact. energy: -0.557
local terms energy: -101.691264
where:
bonds (distance) C4'-P energy: -22.355
bonds (distance) P-C4' energy: -16.679
flat angles C4'-P-C4' energy: -23.148
flat angles P-C4'-P energy: -13.144
tors. eta vs tors. theta energy: -26.366
Dist. restrs. and SS energy: -48.600 (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: 3
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -414.490126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.490126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.090126 (E_RNA)
where:
Base-Base interactions energy: -246.693
where: short stacking energy: -95.661
Base-Backbone interact. energy: -0.823
local terms energy: -116.573820
where:
bonds (distance) C4'-P energy: -21.986
bonds (distance) P-C4' energy: -22.977
flat angles C4'-P-C4' energy: -22.909
flat angles P-C4'-P energy: -20.595
tors. eta vs tors. theta energy: -28.106
Dist. restrs. and SS energy: -50.400 (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: 115
Temperature: 1.000000
Total energy: -407.424930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.424930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.024930 (E_RNA)
where:
Base-Base interactions energy: -248.042
where: short stacking energy: -95.933
Base-Backbone interact. energy: -0.565
local terms energy: -108.417730
where:
bonds (distance) C4'-P energy: -19.957
bonds (distance) P-C4' energy: -23.763
flat angles C4'-P-C4' energy: -19.651
flat angles P-C4'-P energy: -17.666
tors. eta vs tors. theta energy: -27.381
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -385.381769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.381769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.981769 (E_RNA)
where:
Base-Base interactions energy: -241.264
where: short stacking energy: -89.878
Base-Backbone interact. energy: -0.414
local terms energy: -93.303664
where:
bonds (distance) C4'-P energy: -19.110
bonds (distance) P-C4' energy: -19.929
flat angles C4'-P-C4' energy: -20.110
flat angles P-C4'-P energy: -11.937
tors. eta vs tors. theta energy: -22.218
Dist. restrs. and SS energy: -50.400 (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: 9
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -346.382022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.382022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.782022 (E_RNA)
where:
Base-Base interactions energy: -203.138
where: short stacking energy: -85.243
Base-Backbone interact. energy: -0.241
local terms energy: -94.403895
where:
bonds (distance) C4'-P energy: -23.174
bonds (distance) P-C4' energy: -24.183
flat angles C4'-P-C4' energy: -19.044
flat angles P-C4'-P energy: -9.429
tors. eta vs tors. theta energy: -18.575
Dist. restrs. and SS energy: -48.600 (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: 7
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -300.768811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.768811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.768811 (E_RNA)
where:
Base-Base interactions energy: -179.735
where: short stacking energy: -81.394
Base-Backbone interact. energy: -0.019
local terms energy: -85.014661
where:
bonds (distance) C4'-P energy: -17.510
bonds (distance) P-C4' energy: -17.918
flat angles C4'-P-C4' energy: -16.192
flat angles P-C4'-P energy: -13.659
tors. eta vs tors. theta energy: -19.736
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -288.239745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.239745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.239745 (E_RNA)
where:
Base-Base interactions energy: -165.510
where: short stacking energy: -77.852
Base-Backbone interact. energy: -0.035
local terms energy: -86.695248
where:
bonds (distance) C4'-P energy: -22.024
bonds (distance) P-C4' energy: -19.128
flat angles C4'-P-C4' energy: -18.629
flat angles P-C4'-P energy: -6.255
tors. eta vs tors. theta energy: -20.659
Dist. restrs. and SS energy: -36.000 (S_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: 115
Temperature: 1.250000
Total energy: -270.834894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.834894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.834894 (E_RNA)
where:
Base-Base interactions energy: -152.721
where: short stacking energy: -71.810
Base-Backbone interact. energy: -0.339
local terms energy: -81.774985
where:
bonds (distance) C4'-P energy: -18.442
bonds (distance) P-C4' energy: -17.848
flat angles C4'-P-C4' energy: -13.861
flat angles P-C4'-P energy: -10.565
tors. eta vs tors. theta energy: -21.059
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -266.362709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.362709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.362709 (E_RNA)
where:
Base-Base interactions energy: -135.007
where: short stacking energy: -51.736
Base-Backbone interact. energy: -1.077
local terms energy: -94.278102
where:
bonds (distance) C4'-P energy: -25.105
bonds (distance) P-C4' energy: -27.463
flat angles C4'-P-C4' energy: -23.121
flat angles P-C4'-P energy: -16.802
tors. eta vs tors. theta energy: -1.787
Dist. restrs. and SS energy: -36.000 (S_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: 115
Temperature: 1.350000
Total energy: -246.378866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.378866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.178866 (E_RNA)
where:
Base-Base interactions energy: -139.927
where: short stacking energy: -64.323
Base-Backbone interact. energy: -0.364
local terms energy: -71.887080
where:
bonds (distance) C4'-P energy: -12.729
bonds (distance) P-C4' energy: -19.483
flat angles C4'-P-C4' energy: -20.618
flat angles P-C4'-P energy: -14.232
tors. eta vs tors. theta energy: -4.825
Dist. restrs. and SS energy: -34.200 (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: 10
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -418.571157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.571157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.171157 (E_RNA)
where:
Base-Base interactions energy: -257.542
where: short stacking energy: -96.082
Base-Backbone interact. energy: -2.142
local terms energy: -108.486997
where:
bonds (distance) C4'-P energy: -20.716
bonds (distance) P-C4' energy: -20.625
flat angles C4'-P-C4' energy: -25.880
flat angles P-C4'-P energy: -16.426
tors. eta vs tors. theta energy: -24.840
Dist. restrs. and SS energy: -50.400 (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: 116
Temperature: 0.950000
Total energy: -417.062206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.062206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.462206 (E_RNA)
where:
Base-Base interactions energy: -255.004
where: short stacking energy: -105.239
Base-Backbone interact. energy: -1.296
local terms energy: -112.162586
where:
bonds (distance) C4'-P energy: -22.127
bonds (distance) P-C4' energy: -24.353
flat angles C4'-P-C4' energy: -22.698
flat angles P-C4'-P energy: -12.675
tors. eta vs tors. theta energy: -30.310
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -410.438352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.438352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.038352 (E_RNA)
where:
Base-Base interactions energy: -240.477
where: short stacking energy: -99.051
Base-Backbone interact. energy: -0.830
local terms energy: -118.730946
where:
bonds (distance) C4'-P energy: -22.917
bonds (distance) P-C4' energy: -26.181
flat angles C4'-P-C4' energy: -22.692
flat angles P-C4'-P energy: -16.618
tors. eta vs tors. theta energy: -30.323
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -384.412701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.412701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.012701 (E_RNA)
where:
Base-Base interactions energy: -236.008
where: short stacking energy: -90.350
Base-Backbone interact. energy: -0.625
local terms energy: -97.379410
where:
bonds (distance) C4'-P energy: -24.690
bonds (distance) P-C4' energy: -20.495
flat angles C4'-P-C4' energy: -20.219
flat angles P-C4'-P energy: -12.210
tors. eta vs tors. theta energy: -19.765
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -321.372483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.372483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.372483 (E_RNA)
where:
Base-Base interactions energy: -172.648
where: short stacking energy: -79.272
Base-Backbone interact. energy: -1.382
local terms energy: -111.342488
where:
bonds (distance) C4'-P energy: -22.595
bonds (distance) P-C4' energy: -25.409
flat angles C4'-P-C4' energy: -22.926
flat angles P-C4'-P energy: -19.177
tors. eta vs tors. theta energy: -21.236
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -341.839681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.839681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.439681 (E_RNA)
where:
Base-Base interactions energy: -199.573
where: short stacking energy: -79.844
Base-Backbone interact. energy: 0.715
local terms energy: -92.581075
where:
bonds (distance) C4'-P energy: -19.113
bonds (distance) P-C4' energy: -22.451
flat angles C4'-P-C4' energy: -19.355
flat angles P-C4'-P energy: -13.836
tors. eta vs tors. theta energy: -17.827
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -294.544647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.544647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.544647 (E_RNA)
where:
Base-Base interactions energy: -168.721
where: short stacking energy: -80.960
Base-Backbone interact. energy: -0.232
local terms energy: -89.592026
where:
bonds (distance) C4'-P energy: -18.541
bonds (distance) P-C4' energy: -16.505
flat angles C4'-P-C4' energy: -23.556
flat angles P-C4'-P energy: -14.867
tors. eta vs tors. theta energy: -16.123
Dist. restrs. and SS energy: -36.000 (S_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: 116
Temperature: 1.250000
Total energy: -267.567874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.567874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.367874 (E_RNA)
where:
Base-Base interactions energy: -151.104
where: short stacking energy: -68.273
Base-Backbone interact. energy: -0.246
local terms energy: -82.017822
where:
bonds (distance) C4'-P energy: -21.176
bonds (distance) P-C4' energy: -17.118
flat angles C4'-P-C4' energy: -19.697
flat angles P-C4'-P energy: -14.850
tors. eta vs tors. theta energy: -9.177
Dist. restrs. and SS energy: -34.200 (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: 1
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -244.656327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.656327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.656327 (E_RNA)
where:
Base-Base interactions energy: -118.111
where: short stacking energy: -50.684
Base-Backbone interact. energy: -1.378
local terms energy: -89.167162
where:
bonds (distance) C4'-P energy: -16.852
bonds (distance) P-C4' energy: -23.085
flat angles C4'-P-C4' energy: -21.941
flat angles P-C4'-P energy: -15.917
tors. eta vs tors. theta energy: -11.372
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -250.502119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.502119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.502119 (E_RNA)
where:
Base-Base interactions energy: -135.271
where: short stacking energy: -60.629
Base-Backbone interact. energy: 0.861
local terms energy: -80.092283
where:
bonds (distance) C4'-P energy: -21.663
bonds (distance) P-C4' energy: -17.864
flat angles C4'-P-C4' energy: -20.371
flat angles P-C4'-P energy: -15.188
tors. eta vs tors. theta energy: -5.006
Dist. restrs. and SS energy: -36.000 (S_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: 117
Temperature: 0.900000
Total energy: -417.890013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.890013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.490013 (E_RNA)
where:
Base-Base interactions energy: -256.546
where: short stacking energy: -94.508
Base-Backbone interact. energy: -1.955
local terms energy: -108.988297
where:
bonds (distance) C4'-P energy: -18.729
bonds (distance) P-C4' energy: -24.712
flat angles C4'-P-C4' energy: -24.468
flat angles P-C4'-P energy: -14.088
tors. eta vs tors. theta energy: -26.991
Dist. restrs. and SS energy: -50.400 (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: 117
Temperature: 0.950000
Total energy: -406.095777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.095777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.695777 (E_RNA)
where:
Base-Base interactions energy: -251.989
where: short stacking energy: -104.112
Base-Backbone interact. energy: -0.526
local terms energy: -103.180870
where:
bonds (distance) C4'-P energy: -19.214
bonds (distance) P-C4' energy: -19.443
flat angles C4'-P-C4' energy: -22.334
flat angles P-C4'-P energy: -13.527
tors. eta vs tors. theta energy: -28.663
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -410.676857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.676857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.276857 (E_RNA)
where:
Base-Base interactions energy: -247.510
where: short stacking energy: -97.068
Base-Backbone interact. energy: 0.368
local terms energy: -113.135140
where:
bonds (distance) C4'-P energy: -24.088
bonds (distance) P-C4' energy: -23.200
flat angles C4'-P-C4' energy: -22.791
flat angles P-C4'-P energy: -13.225
tors. eta vs tors. theta energy: -29.831
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -383.150332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.150332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.750332 (E_RNA)
where:
Base-Base interactions energy: -234.505
where: short stacking energy: -81.971
Base-Backbone interact. energy: -0.602
local terms energy: -97.643075
where:
bonds (distance) C4'-P energy: -15.473
bonds (distance) P-C4' energy: -19.025
flat angles C4'-P-C4' energy: -22.753
flat angles P-C4'-P energy: -16.638
tors. eta vs tors. theta energy: -23.754
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -316.518603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.518603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.518603 (E_RNA)
where:
Base-Base interactions energy: -188.183
where: short stacking energy: -86.887
Base-Backbone interact. energy: -0.409
local terms energy: -91.927094
where:
bonds (distance) C4'-P energy: -11.058
bonds (distance) P-C4' energy: -23.521
flat angles C4'-P-C4' energy: -22.640
flat angles P-C4'-P energy: -10.570
tors. eta vs tors. theta energy: -24.139
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -289.065887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.065887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.065887 (E_RNA)
where:
Base-Base interactions energy: -164.875
where: short stacking energy: -81.454
Base-Backbone interact. energy: -0.453
local terms energy: -87.737272
where:
bonds (distance) C4'-P energy: -16.055
bonds (distance) P-C4' energy: -23.071
flat angles C4'-P-C4' energy: -16.247
flat angles P-C4'-P energy: -14.821
tors. eta vs tors. theta energy: -17.543
Dist. restrs. and SS energy: -36.000 (S_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: 117
Temperature: 1.200000
Total energy: -306.275917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.275917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.675917 (E_RNA)
where:
Base-Base interactions energy: -178.342
where: short stacking energy: -68.638
Base-Backbone interact. energy: -1.228
local terms energy: -78.105830
where:
bonds (distance) C4'-P energy: -22.553
bonds (distance) P-C4' energy: -21.016
flat angles C4'-P-C4' energy: -11.184
flat angles P-C4'-P energy: -14.199
tors. eta vs tors. theta energy: -9.154
Dist. restrs. and SS energy: -48.600 (S_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: 117
Temperature: 1.250000
Total energy: -286.418766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.418766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.418766 (E_RNA)
where:
Base-Base interactions energy: -153.038
where: short stacking energy: -73.011
Base-Backbone interact. energy: -0.420
local terms energy: -96.960312
where:
bonds (distance) C4'-P energy: -21.266
bonds (distance) P-C4' energy: -25.054
flat angles C4'-P-C4' energy: -18.819
flat angles P-C4'-P energy: -12.595
tors. eta vs tors. theta energy: -19.227
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -260.697096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.697096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.697096 (E_RNA)
where:
Base-Base interactions energy: -140.990
where: short stacking energy: -55.639
Base-Backbone interact. energy: -0.374
local terms energy: -83.333124
where:
bonds (distance) C4'-P energy: -19.353
bonds (distance) P-C4' energy: -19.924
flat angles C4'-P-C4' energy: -18.121
flat angles P-C4'-P energy: -11.871
tors. eta vs tors. theta energy: -14.064
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -242.678073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.678073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.678073 (E_RNA)
where:
Base-Base interactions energy: -115.461
where: short stacking energy: -50.652
Base-Backbone interact. energy: -0.062
local terms energy: -91.154718
where:
bonds (distance) C4'-P energy: -23.580
bonds (distance) P-C4' energy: -24.650
flat angles C4'-P-C4' energy: -16.059
flat angles P-C4'-P energy: -14.692
tors. eta vs tors. theta energy: -12.175
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -410.804718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.804718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.404718 (E_RNA)
where:
Base-Base interactions energy: -243.663
where: short stacking energy: -99.254
Base-Backbone interact. energy: -0.633
local terms energy: -116.108816
where:
bonds (distance) C4'-P energy: -22.151
bonds (distance) P-C4' energy: -24.551
flat angles C4'-P-C4' energy: -24.868
flat angles P-C4'-P energy: -14.417
tors. eta vs tors. theta energy: -30.121
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -410.337443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.337443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.737443 (E_RNA)
where:
Base-Base interactions energy: -245.989
where: short stacking energy: -82.411
Base-Backbone interact. energy: -0.896
local terms energy: -114.852048
where:
bonds (distance) C4'-P energy: -24.681
bonds (distance) P-C4' energy: -26.368
flat angles C4'-P-C4' energy: -21.911
flat angles P-C4'-P energy: -18.961
tors. eta vs tors. theta energy: -22.931
Dist. restrs. and SS energy: -48.600 (S_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: 118
Temperature: 1.000000
Total energy: -410.715552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.715552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.315552 (E_RNA)
where:
Base-Base interactions energy: -247.993
where: short stacking energy: -93.038
Base-Backbone interact. energy: -0.485
local terms energy: -111.837395
where:
bonds (distance) C4'-P energy: -21.820
bonds (distance) P-C4' energy: -21.508
flat angles C4'-P-C4' energy: -22.258
flat angles P-C4'-P energy: -16.478
tors. eta vs tors. theta energy: -29.774
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -375.422295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.422295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.022295 (E_RNA)
where:
Base-Base interactions energy: -231.389
where: short stacking energy: -80.814
Base-Backbone interact. energy: -0.113
local terms energy: -93.520292
where:
bonds (distance) C4'-P energy: -18.862
bonds (distance) P-C4' energy: -18.469
flat angles C4'-P-C4' energy: -19.459
flat angles P-C4'-P energy: -16.535
tors. eta vs tors. theta energy: -20.195
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -316.826454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.826454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.826454 (E_RNA)
where:
Base-Base interactions energy: -183.801
where: short stacking energy: -81.378
Base-Backbone interact. energy: -0.696
local terms energy: -96.329723
where:
bonds (distance) C4'-P energy: -18.073
bonds (distance) P-C4' energy: -25.501
flat angles C4'-P-C4' energy: -19.950
flat angles P-C4'-P energy: -12.868
tors. eta vs tors. theta energy: -19.938
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -293.128427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.128427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.528427 (E_RNA)
where:
Base-Base interactions energy: -171.602
where: short stacking energy: -74.688
Base-Backbone interact. energy: -0.138
local terms energy: -90.788236
where:
bonds (distance) C4'-P energy: -15.969
bonds (distance) P-C4' energy: -23.341
flat angles C4'-P-C4' energy: -19.261
flat angles P-C4'-P energy: -17.768
tors. eta vs tors. theta energy: -14.449
Dist. restrs. and SS energy: -30.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -279.013057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.013057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.413057 (E_RNA)
where:
Base-Base interactions energy: -150.771
where: short stacking energy: -66.421
Base-Backbone interact. energy: -0.205
local terms energy: -97.436888
where:
bonds (distance) C4'-P energy: -21.494
bonds (distance) P-C4' energy: -21.768
flat angles C4'-P-C4' energy: -21.176
flat angles P-C4'-P energy: -18.092
tors. eta vs tors. theta energy: -14.907
Dist. restrs. and SS energy: -30.600 (S_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: 118
Temperature: 1.250000
Total energy: -319.124458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.124458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.924458 (E_RNA)
where:
Base-Base interactions energy: -189.378
where: short stacking energy: -74.240
Base-Backbone interact. energy: -0.513
local terms energy: -86.032699
where:
bonds (distance) C4'-P energy: -18.327
bonds (distance) P-C4' energy: -22.679
flat angles C4'-P-C4' energy: -24.509
flat angles P-C4'-P energy: -6.600
tors. eta vs tors. theta energy: -13.918
Dist. restrs. and SS energy: -43.200 (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: 2
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -271.627399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.627399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.627399 (E_RNA)
where:
Base-Base interactions energy: -155.081
where: short stacking energy: -73.711
Base-Backbone interact. energy: 0.479
local terms energy: -81.025167
where:
bonds (distance) C4'-P energy: -18.989
bonds (distance) P-C4' energy: -20.804
flat angles C4'-P-C4' energy: -20.137
flat angles P-C4'-P energy: -13.040
tors. eta vs tors. theta energy: -8.055
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -257.721732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.721732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.721732 (E_RNA)
where:
Base-Base interactions energy: -146.159
where: short stacking energy: -70.736
Base-Backbone interact. energy: -0.053
local terms energy: -75.509662
where:
bonds (distance) C4'-P energy: -15.677
bonds (distance) P-C4' energy: -16.273
flat angles C4'-P-C4' energy: -16.622
flat angles P-C4'-P energy: -10.756
tors. eta vs tors. theta energy: -16.181
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -414.865631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.865631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.265631 (E_RNA)
where:
Base-Base interactions energy: -256.486
where: short stacking energy: -94.413
Base-Backbone interact. energy: -0.957
local terms energy: -108.823224
where:
bonds (distance) C4'-P energy: -19.242
bonds (distance) P-C4' energy: -20.291
flat angles C4'-P-C4' energy: -26.534
flat angles P-C4'-P energy: -14.295
tors. eta vs tors. theta energy: -28.461
Dist. restrs. and SS energy: -48.600 (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: 5
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -419.534189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.534189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.134189 (E_RNA)
where:
Base-Base interactions energy: -256.878
where: short stacking energy: -98.357
Base-Backbone interact. energy: -0.869
local terms energy: -111.387298
where:
bonds (distance) C4'-P energy: -22.016
bonds (distance) P-C4' energy: -22.731
flat angles C4'-P-C4' energy: -25.462
flat angles P-C4'-P energy: -13.976
tors. eta vs tors. theta energy: -27.202
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -410.060252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.060252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.660252 (E_RNA)
where:
Base-Base interactions energy: -242.261
where: short stacking energy: -91.996
Base-Backbone interact. energy: -1.317
local terms energy: -116.082017
where:
bonds (distance) C4'-P energy: -23.713
bonds (distance) P-C4' energy: -23.875
flat angles C4'-P-C4' energy: -24.473
flat angles P-C4'-P energy: -14.633
tors. eta vs tors. theta energy: -29.388
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -363.664030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.664030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.264030 (E_RNA)
where:
Base-Base interactions energy: -220.218
where: short stacking energy: -79.063
Base-Backbone interact. energy: -0.512
local terms energy: -92.534188
where:
bonds (distance) C4'-P energy: -19.499
bonds (distance) P-C4' energy: -19.984
flat angles C4'-P-C4' energy: -21.515
flat angles P-C4'-P energy: -15.642
tors. eta vs tors. theta energy: -15.894
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -313.862603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.862603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.862603 (E_RNA)
where:
Base-Base interactions energy: -179.881
where: short stacking energy: -78.053
Base-Backbone interact. energy: 1.766
local terms energy: -99.747256
where:
bonds (distance) C4'-P energy: -19.446
bonds (distance) P-C4' energy: -23.288
flat angles C4'-P-C4' energy: -21.337
flat angles P-C4'-P energy: -13.180
tors. eta vs tors. theta energy: -22.497
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -269.838217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.838217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.838217 (E_RNA)
where:
Base-Base interactions energy: -154.774
where: short stacking energy: -66.095
Base-Backbone interact. energy: -0.789
local terms energy: -78.275643
where:
bonds (distance) C4'-P energy: -13.391
bonds (distance) P-C4' energy: -24.045
flat angles C4'-P-C4' energy: -21.903
flat angles P-C4'-P energy: -14.336
tors. eta vs tors. theta energy: -4.600
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -269.865448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.865448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.665448 (E_RNA)
where:
Base-Base interactions energy: -147.509
where: short stacking energy: -75.779
Base-Backbone interact. energy: -0.524
local terms energy: -87.632738
where:
bonds (distance) C4'-P energy: -21.776
bonds (distance) P-C4' energy: -14.894
flat angles C4'-P-C4' energy: -16.795
flat angles P-C4'-P energy: -16.668
tors. eta vs tors. theta energy: -17.499
Dist. restrs. and SS energy: -34.200 (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: 9
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -282.518872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.518872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.518872 (E_RNA)
where:
Base-Base interactions energy: -170.265
where: short stacking energy: -67.439
Base-Backbone interact. energy: -0.300
local terms energy: -75.954475
where:
bonds (distance) C4'-P energy: -21.316
bonds (distance) P-C4' energy: -17.552
flat angles C4'-P-C4' energy: -16.732
flat angles P-C4'-P energy: -9.474
tors. eta vs tors. theta energy: -10.881
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -277.247014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.247014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.247014 (E_RNA)
where:
Base-Base interactions energy: -166.351
where: short stacking energy: -66.065
Base-Backbone interact. energy: -0.394
local terms energy: -74.501993
where:
bonds (distance) C4'-P energy: -17.086
bonds (distance) P-C4' energy: -20.290
flat angles C4'-P-C4' energy: -22.938
flat angles P-C4'-P energy: -5.537
tors. eta vs tors. theta energy: -8.652
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -269.189724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.189724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.989724 (E_RNA)
where:
Base-Base interactions energy: -149.773
where: short stacking energy: -65.078
Base-Backbone interact. energy: -0.567
local terms energy: -84.650180
where:
bonds (distance) C4'-P energy: -17.260
bonds (distance) P-C4' energy: -18.959
flat angles C4'-P-C4' energy: -22.593
flat angles P-C4'-P energy: -14.594
tors. eta vs tors. theta energy: -11.243
Dist. restrs. and SS energy: -34.200 (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: 5
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -423.023850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.023850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.623850 (E_RNA)
where:
Base-Base interactions energy: -265.161
where: short stacking energy: -96.015
Base-Backbone interact. energy: 2.111
local terms energy: -109.574346
where:
bonds (distance) C4'-P energy: -23.529
bonds (distance) P-C4' energy: -22.116
flat angles C4'-P-C4' energy: -20.254
flat angles P-C4'-P energy: -15.296
tors. eta vs tors. theta energy: -28.379
Dist. restrs. and SS energy: -50.400 (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: 120
Temperature: 0.950000
Total energy: -407.642710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.642710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.042710 (E_RNA)
where:
Base-Base interactions energy: -251.579
where: short stacking energy: -99.394
Base-Backbone interact. energy: -1.365
local terms energy: -106.098782
where:
bonds (distance) C4'-P energy: -23.088
bonds (distance) P-C4' energy: -21.546
flat angles C4'-P-C4' energy: -21.392
flat angles P-C4'-P energy: -16.062
tors. eta vs tors. theta energy: -24.011
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -412.470888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.470888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.870888 (E_RNA)
where:
Base-Base interactions energy: -254.886
where: short stacking energy: -99.751
Base-Backbone interact. energy: -1.085
local terms energy: -107.899527
where:
bonds (distance) C4'-P energy: -26.303
bonds (distance) P-C4' energy: -20.341
flat angles C4'-P-C4' energy: -22.527
flat angles P-C4'-P energy: -13.470
tors. eta vs tors. theta energy: -25.259
Dist. restrs. and SS energy: -48.600 (S_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: 120
Temperature: 1.050000
Total energy: -345.694594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.694594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.294594 (E_RNA)
where:
Base-Base interactions energy: -205.101
where: short stacking energy: -80.533
Base-Backbone interact. energy: -0.845
local terms energy: -89.348346
where:
bonds (distance) C4'-P energy: -22.162
bonds (distance) P-C4' energy: -17.678
flat angles C4'-P-C4' energy: -20.517
flat angles P-C4'-P energy: -15.162
tors. eta vs tors. theta energy: -13.829
Dist. restrs. and SS energy: -50.400 (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: 6
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -315.829724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.829724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.829724 (E_RNA)
where:
Base-Base interactions energy: -178.387
where: short stacking energy: -85.544
Base-Backbone interact. energy: -0.936
local terms energy: -100.506748
where:
bonds (distance) C4'-P energy: -20.035
bonds (distance) P-C4' energy: -19.956
flat angles C4'-P-C4' energy: -27.079
flat angles P-C4'-P energy: -13.829
tors. eta vs tors. theta energy: -19.608
Dist. restrs. and SS energy: -36.000 (S_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: 120
Temperature: 1.150000
Total energy: -328.934380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.934380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.934380 (E_RNA)
where:
Base-Base interactions energy: -192.453
where: short stacking energy: -83.919
Base-Backbone interact. energy: -1.611
local terms energy: -98.871051
where:
bonds (distance) C4'-P energy: -22.012
bonds (distance) P-C4' energy: -22.034
flat angles C4'-P-C4' energy: -19.689
flat angles P-C4'-P energy: -17.475
tors. eta vs tors. theta energy: -17.661
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -285.120994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.120994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.120994 (E_RNA)
where:
Base-Base interactions energy: -159.801
where: short stacking energy: -75.224
Base-Backbone interact. energy: -0.102
local terms energy: -89.217749
where:
bonds (distance) C4'-P energy: -21.854
bonds (distance) P-C4' energy: -17.425
flat angles C4'-P-C4' energy: -20.967
flat angles P-C4'-P energy: -8.618
tors. eta vs tors. theta energy: -20.353
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -268.345942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.345942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.345942 (E_RNA)
where:
Base-Base interactions energy: -145.058
where: short stacking energy: -61.361
Base-Backbone interact. energy: 0.082
local terms energy: -87.369812
where:
bonds (distance) C4'-P energy: -24.032
bonds (distance) P-C4' energy: -21.464
flat angles C4'-P-C4' energy: -24.360
flat angles P-C4'-P energy: -6.776
tors. eta vs tors. theta energy: -10.737
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -284.695174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.695174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.495174 (E_RNA)
where:
Base-Base interactions energy: -154.667
where: short stacking energy: -65.265
Base-Backbone interact. energy: -0.600
local terms energy: -95.228334
where:
bonds (distance) C4'-P energy: -27.169
bonds (distance) P-C4' energy: -23.443
flat angles C4'-P-C4' energy: -19.199
flat angles P-C4'-P energy: -11.480
tors. eta vs tors. theta energy: -13.938
Dist. restrs. and SS energy: -34.200 (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: 2
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -252.254840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.254840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.254840 (E_RNA)
where:
Base-Base interactions energy: -146.234
where: short stacking energy: -67.373
Base-Backbone interact. energy: -0.186
local terms energy: -69.834489
where:
bonds (distance) C4'-P energy: -16.811
bonds (distance) P-C4' energy: -14.962
flat angles C4'-P-C4' energy: -16.457
flat angles P-C4'-P energy: -11.464
tors. eta vs tors. theta energy: -10.141
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -420.862413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.862413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.462413 (E_RNA)
where:
Base-Base interactions energy: -265.210
where: short stacking energy: -98.181
Base-Backbone interact. energy: -0.835
local terms energy: -104.418055
where:
bonds (distance) C4'-P energy: -19.452
bonds (distance) P-C4' energy: -19.644
flat angles C4'-P-C4' energy: -21.644
flat angles P-C4'-P energy: -17.483
tors. eta vs tors. theta energy: -26.195
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -407.835055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.835055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.435055 (E_RNA)
where:
Base-Base interactions energy: -247.870
where: short stacking energy: -96.541
Base-Backbone interact. energy: -1.618
local terms energy: -107.946437
where:
bonds (distance) C4'-P energy: -15.637
bonds (distance) P-C4' energy: -23.000
flat angles C4'-P-C4' energy: -23.692
flat angles P-C4'-P energy: -17.740
tors. eta vs tors. theta energy: -27.877
Dist. restrs. and SS energy: -50.400 (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: 3
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -408.637546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.637546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.037546 (E_RNA)
where:
Base-Base interactions energy: -254.405
where: short stacking energy: -96.745
Base-Backbone interact. energy: 0.024
local terms energy: -105.656723
where:
bonds (distance) C4'-P energy: -22.544
bonds (distance) P-C4' energy: -23.930
flat angles C4'-P-C4' energy: -23.492
flat angles P-C4'-P energy: -9.676
tors. eta vs tors. theta energy: -26.016
Dist. restrs. and SS energy: -48.600 (S_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: 121
Temperature: 1.050000
Total energy: -331.962471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.962471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.162471 (E_RNA)
where:
Base-Base interactions energy: -185.718
where: short stacking energy: -77.906
Base-Backbone interact. energy: -0.563
local terms energy: -98.882151
where:
bonds (distance) C4'-P energy: -23.239
bonds (distance) P-C4' energy: -23.139
flat angles C4'-P-C4' energy: -21.901
flat angles P-C4'-P energy: -15.352
tors. eta vs tors. theta energy: -15.251
Dist. restrs. and SS energy: -46.800 (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: 6
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -300.715933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.715933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.715933 (E_RNA)
where:
Base-Base interactions energy: -173.895
where: short stacking energy: -83.161
Base-Backbone interact. energy: -0.394
local terms energy: -90.426606
where:
bonds (distance) C4'-P energy: -22.347
bonds (distance) P-C4' energy: -20.331
flat angles C4'-P-C4' energy: -19.673
flat angles P-C4'-P energy: -14.621
tors. eta vs tors. theta energy: -13.455
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -308.013673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.013673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.013673 (E_RNA)
where:
Base-Base interactions energy: -178.839
where: short stacking energy: -72.980
Base-Backbone interact. energy: -0.581
local terms energy: -92.594109
where:
bonds (distance) C4'-P energy: -18.736
bonds (distance) P-C4' energy: -23.349
flat angles C4'-P-C4' energy: -22.287
flat angles P-C4'-P energy: -11.685
tors. eta vs tors. theta energy: -16.537
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -291.055466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.055466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.655466 (E_RNA)
where:
Base-Base interactions energy: -166.279
where: short stacking energy: -76.159
Base-Backbone interact. energy: -0.580
local terms energy: -91.796645
where:
bonds (distance) C4'-P energy: -22.190
bonds (distance) P-C4' energy: -20.912
flat angles C4'-P-C4' energy: -13.955
flat angles P-C4'-P energy: -15.691
tors. eta vs tors. theta energy: -19.049
Dist. restrs. and SS energy: -32.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -290.532925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.532925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.332925 (E_RNA)
where:
Base-Base interactions energy: -169.416
where: short stacking energy: -79.252
Base-Backbone interact. energy: -0.118
local terms energy: -86.798182
where:
bonds (distance) C4'-P energy: -3.177
bonds (distance) P-C4' energy: -24.391
flat angles C4'-P-C4' energy: -26.954
flat angles P-C4'-P energy: -12.385
tors. eta vs tors. theta energy: -19.891
Dist. restrs. and SS energy: -34.200 (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: 9
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -265.964828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.964828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.564828 (E_RNA)
where:
Base-Base interactions energy: -148.769
where: short stacking energy: -67.940
Base-Backbone interact. energy: 1.295
local terms energy: -86.091237
where:
bonds (distance) C4'-P energy: -18.595
bonds (distance) P-C4' energy: -20.572
flat angles C4'-P-C4' energy: -18.912
flat angles P-C4'-P energy: -16.805
tors. eta vs tors. theta energy: -11.207
Dist. restrs. and SS energy: -32.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -236.188593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.188593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.988593 (E_RNA)
where:
Base-Base interactions energy: -128.952
where: short stacking energy: -56.492
Base-Backbone interact. energy: -0.213
local terms energy: -72.823503
where:
bonds (distance) C4'-P energy: -18.276
bonds (distance) P-C4' energy: -16.177
flat angles C4'-P-C4' energy: -14.406
flat angles P-C4'-P energy: -13.493
tors. eta vs tors. theta energy: -10.470
Dist. restrs. and SS energy: -34.200 (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: 10
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -418.598732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.598732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.998732 (E_RNA)
where:
Base-Base interactions energy: -254.111
where: short stacking energy: -95.967
Base-Backbone interact. energy: -2.044
local terms energy: -113.844025
where:
bonds (distance) C4'-P energy: -23.572
bonds (distance) P-C4' energy: -18.441
flat angles C4'-P-C4' energy: -26.286
flat angles P-C4'-P energy: -16.987
tors. eta vs tors. theta energy: -28.558
Dist. restrs. and SS energy: -48.600 (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: 5
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -410.948498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.948498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.148498 (E_RNA)
where:
Base-Base interactions energy: -259.848
where: short stacking energy: -100.277
Base-Backbone interact. energy: -0.868
local terms energy: -103.432027
where:
bonds (distance) C4'-P energy: -14.196
bonds (distance) P-C4' energy: -23.538
flat angles C4'-P-C4' energy: -25.822
flat angles P-C4'-P energy: -16.162
tors. eta vs tors. theta energy: -23.714
Dist. restrs. and SS energy: -46.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -398.268839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.268839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.868839 (E_RNA)
where:
Base-Base interactions energy: -239.403
where: short stacking energy: -91.681
Base-Backbone interact. energy: -1.414
local terms energy: -107.051870
where:
bonds (distance) C4'-P energy: -23.050
bonds (distance) P-C4' energy: -20.658
flat angles C4'-P-C4' energy: -25.851
flat angles P-C4'-P energy: -16.162
tors. eta vs tors. theta energy: -21.330
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -357.143004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.143004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.743004 (E_RNA)
where:
Base-Base interactions energy: -199.415
where: short stacking energy: -83.150
Base-Backbone interact. energy: -0.229
local terms energy: -107.098538
where:
bonds (distance) C4'-P energy: -22.139
bonds (distance) P-C4' energy: -26.287
flat angles C4'-P-C4' energy: -21.955
flat angles P-C4'-P energy: -13.518
tors. eta vs tors. theta energy: -23.199
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -303.887314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.887314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.887314 (E_RNA)
where:
Base-Base interactions energy: -170.394
where: short stacking energy: -79.454
Base-Backbone interact. energy: -0.429
local terms energy: -97.064663
where:
bonds (distance) C4'-P energy: -19.601
bonds (distance) P-C4' energy: -15.693
flat angles C4'-P-C4' energy: -25.321
flat angles P-C4'-P energy: -14.421
tors. eta vs tors. theta energy: -22.029
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -303.625417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.625417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.625417 (E_RNA)
where:
Base-Base interactions energy: -168.540
where: short stacking energy: -68.424
Base-Backbone interact. energy: -0.905
local terms energy: -98.179812
where:
bonds (distance) C4'-P energy: -20.077
bonds (distance) P-C4' energy: -19.944
flat angles C4'-P-C4' energy: -20.365
flat angles P-C4'-P energy: -17.110
tors. eta vs tors. theta energy: -20.683
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -287.497315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.497315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.497315 (E_RNA)
where:
Base-Base interactions energy: -157.742
where: short stacking energy: -67.733
Base-Backbone interact. energy: -0.286
local terms energy: -93.469196
where:
bonds (distance) C4'-P energy: -18.709
bonds (distance) P-C4' energy: -19.089
flat angles C4'-P-C4' energy: -23.898
flat angles P-C4'-P energy: -15.355
tors. eta vs tors. theta energy: -16.419
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -251.516680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.516680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.516680 (E_RNA)
where:
Base-Base interactions energy: -140.162
where: short stacking energy: -55.672
Base-Backbone interact. energy: -0.927
local terms energy: -74.427032
where:
bonds (distance) C4'-P energy: -16.311
bonds (distance) P-C4' energy: -20.893
flat angles C4'-P-C4' energy: -17.627
flat angles P-C4'-P energy: -11.276
tors. eta vs tors. theta energy: -8.319
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -253.028567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.028567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.028567 (E_RNA)
where:
Base-Base interactions energy: -135.173
where: short stacking energy: -59.631
Base-Backbone interact. energy: -0.501
local terms energy: -81.355389
where:
bonds (distance) C4'-P energy: -17.282
bonds (distance) P-C4' energy: -24.620
flat angles C4'-P-C4' energy: -21.722
flat angles P-C4'-P energy: -12.909
tors. eta vs tors. theta energy: -4.822
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -244.893401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.893401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.893401 (E_RNA)
where:
Base-Base interactions energy: -125.529
where: short stacking energy: -56.230
Base-Backbone interact. energy: -0.208
local terms energy: -83.156271
where:
bonds (distance) C4'-P energy: -21.130
bonds (distance) P-C4' energy: -23.785
flat angles C4'-P-C4' energy: -20.849
flat angles P-C4'-P energy: -9.998
tors. eta vs tors. theta energy: -7.395
Dist. restrs. and SS energy: -36.000 (S_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: 123
Temperature: 0.900000
Total energy: -414.342787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.342787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.942787 (E_RNA)
where:
Base-Base interactions energy: -250.772
where: short stacking energy: -103.571
Base-Backbone interact. energy: -2.269
local terms energy: -110.902045
where:
bonds (distance) C4'-P energy: -22.343
bonds (distance) P-C4' energy: -23.446
flat angles C4'-P-C4' energy: -21.402
flat angles P-C4'-P energy: -18.539
tors. eta vs tors. theta energy: -25.173
Dist. restrs. and SS energy: -50.400 (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: 123
Temperature: 0.950000
Total energy: -403.929942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.929942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.329942 (E_RNA)
where:
Base-Base interactions energy: -246.367
where: short stacking energy: -85.477
Base-Backbone interact. energy: -0.294
local terms energy: -108.668760
where:
bonds (distance) C4'-P energy: -25.905
bonds (distance) P-C4' energy: -24.859
flat angles C4'-P-C4' energy: -20.902
flat angles P-C4'-P energy: -16.881
tors. eta vs tors. theta energy: -20.121
Dist. restrs. and SS energy: -48.600 (S_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: 123
Temperature: 1.000000
Total energy: -401.363240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.363240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.963240 (E_RNA)
where:
Base-Base interactions energy: -247.505
where: short stacking energy: -90.531
Base-Backbone interact. energy: -0.298
local terms energy: -103.159999
where:
bonds (distance) C4'-P energy: -23.742
bonds (distance) P-C4' energy: -16.636
flat angles C4'-P-C4' energy: -23.348
flat angles P-C4'-P energy: -13.694
tors. eta vs tors. theta energy: -25.740
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -357.726767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.726767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.326767 (E_RNA)
where:
Base-Base interactions energy: -215.730
where: short stacking energy: -82.622
Base-Backbone interact. energy: -0.862
local terms energy: -90.734348
where:
bonds (distance) C4'-P energy: -18.057
bonds (distance) P-C4' energy: -20.253
flat angles C4'-P-C4' energy: -22.847
flat angles P-C4'-P energy: -11.126
tors. eta vs tors. theta energy: -18.451
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -300.762365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.762365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.762365 (E_RNA)
where:
Base-Base interactions energy: -164.113
where: short stacking energy: -78.869
Base-Backbone interact. energy: -0.170
local terms energy: -100.479589
where:
bonds (distance) C4'-P energy: -26.060
bonds (distance) P-C4' energy: -17.743
flat angles C4'-P-C4' energy: -21.758
flat angles P-C4'-P energy: -16.615
tors. eta vs tors. theta energy: -18.303
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -300.264563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.264563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.264563 (E_RNA)
where:
Base-Base interactions energy: -163.184
where: short stacking energy: -77.993
Base-Backbone interact. energy: -0.158
local terms energy: -100.922421
where:
bonds (distance) C4'-P energy: -23.456
bonds (distance) P-C4' energy: -24.924
flat angles C4'-P-C4' energy: -20.542
flat angles P-C4'-P energy: -15.722
tors. eta vs tors. theta energy: -16.279
Dist. restrs. and SS energy: -36.000 (S_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: -289.518070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.518070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.318070 (E_RNA)
where:
Base-Base interactions energy: -165.366
where: short stacking energy: -77.322
Base-Backbone interact. energy: -0.139
local terms energy: -89.812546
where:
bonds (distance) C4'-P energy: -23.957
bonds (distance) P-C4' energy: -17.176
flat angles C4'-P-C4' energy: -18.156
flat angles P-C4'-P energy: -15.940
tors. eta vs tors. theta energy: -14.583
Dist. restrs. and SS energy: -34.200 (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: 123
Temperature: 1.250000
Total energy: -266.673138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.673138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.673138 (E_RNA)
where:
Base-Base interactions energy: -146.274
where: short stacking energy: -64.830
Base-Backbone interact. energy: -0.159
local terms energy: -84.240383
where:
bonds (distance) C4'-P energy: -10.224
bonds (distance) P-C4' energy: -18.871
flat angles C4'-P-C4' energy: -24.234
flat angles P-C4'-P energy: -15.207
tors. eta vs tors. theta energy: -15.704
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -258.004783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.004783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.004783 (E_RNA)
where:
Base-Base interactions energy: -132.848
where: short stacking energy: -58.171
Base-Backbone interact. energy: -0.311
local terms energy: -88.845582
where:
bonds (distance) C4'-P energy: -16.876
bonds (distance) P-C4' energy: -26.740
flat angles C4'-P-C4' energy: -24.069
flat angles P-C4'-P energy: -16.141
tors. eta vs tors. theta energy: -5.019
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -250.712596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.712596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.712596 (E_RNA)
where:
Base-Base interactions energy: -131.381
where: short stacking energy: -52.458
Base-Backbone interact. energy: -0.376
local terms energy: -82.955765
where:
bonds (distance) C4'-P energy: -21.632
bonds (distance) P-C4' energy: -18.707
flat angles C4'-P-C4' energy: -18.507
flat angles P-C4'-P energy: -15.527
tors. eta vs tors. theta energy: -8.583
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -399.394561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.394561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.994561 (E_RNA)
where:
Base-Base interactions energy: -238.045
where: short stacking energy: -91.283
Base-Backbone interact. energy: -1.743
local terms energy: -109.207054
where:
bonds (distance) C4'-P energy: -22.882
bonds (distance) P-C4' energy: -21.960
flat angles C4'-P-C4' energy: -27.668
flat angles P-C4'-P energy: -17.449
tors. eta vs tors. theta energy: -19.248
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -404.838915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.838915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.438915 (E_RNA)
where:
Base-Base interactions energy: -239.323
where: short stacking energy: -90.803
Base-Backbone interact. energy: -3.139
local terms energy: -111.976466
where:
bonds (distance) C4'-P energy: -21.257
bonds (distance) P-C4' energy: -21.314
flat angles C4'-P-C4' energy: -24.714
flat angles P-C4'-P energy: -14.971
tors. eta vs tors. theta energy: -29.720
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -406.230338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.230338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.830338 (E_RNA)
where:
Base-Base interactions energy: -259.910
where: short stacking energy: -94.771
Base-Backbone interact. energy: 0.538
local terms energy: -96.458246
where:
bonds (distance) C4'-P energy: -19.630
bonds (distance) P-C4' energy: -23.559
flat angles C4'-P-C4' energy: -21.411
flat angles P-C4'-P energy: -10.787
tors. eta vs tors. theta energy: -21.071
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -348.960085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.960085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.360085 (E_RNA)
where:
Base-Base interactions energy: -200.146
where: short stacking energy: -76.568
Base-Backbone interact. energy: -0.366
local terms energy: -99.848216
where:
bonds (distance) C4'-P energy: -21.614
bonds (distance) P-C4' energy: -27.478
flat angles C4'-P-C4' energy: -22.147
flat angles P-C4'-P energy: -12.948
tors. eta vs tors. theta energy: -15.660
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -301.279953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.279953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.279953 (E_RNA)
where:
Base-Base interactions energy: -172.630
where: short stacking energy: -77.281
Base-Backbone interact. energy: -0.045
local terms energy: -92.604484
where:
bonds (distance) C4'-P energy: -24.305
bonds (distance) P-C4' energy: -16.738
flat angles C4'-P-C4' energy: -15.551
flat angles P-C4'-P energy: -16.256
tors. eta vs tors. theta energy: -19.754
Dist. restrs. and SS energy: -36.000 (S_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: 124
Temperature: 1.150000
Total energy: -316.065475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.065475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.865475 (E_RNA)
where:
Base-Base interactions energy: -175.488
where: short stacking energy: -74.339
Base-Backbone interact. energy: -0.482
local terms energy: -105.896041
where:
bonds (distance) C4'-P energy: -19.624
bonds (distance) P-C4' energy: -24.174
flat angles C4'-P-C4' energy: -20.875
flat angles P-C4'-P energy: -19.138
tors. eta vs tors. theta energy: -22.085
Dist. restrs. and SS energy: -34.200 (S_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: -301.485579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.485579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.285579 (E_RNA)
where:
Base-Base interactions energy: -164.321
where: short stacking energy: -80.605
Base-Backbone interact. energy: -0.288
local terms energy: -102.676729
where:
bonds (distance) C4'-P energy: -21.001
bonds (distance) P-C4' energy: -20.519
flat angles C4'-P-C4' energy: -24.186
flat angles P-C4'-P energy: -15.530
tors. eta vs tors. theta energy: -21.440
Dist. restrs. and SS energy: -34.200 (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: 124
Temperature: 1.250000
Total energy: -258.043914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.043914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.043914 (E_RNA)
where:
Base-Base interactions energy: -143.806
where: short stacking energy: -57.521
Base-Backbone interact. energy: -0.962
local terms energy: -77.275497
where:
bonds (distance) C4'-P energy: -16.934
bonds (distance) P-C4' energy: -21.626
flat angles C4'-P-C4' energy: -16.984
flat angles P-C4'-P energy: -15.837
tors. eta vs tors. theta energy: -5.894
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -264.352022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.352022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.152022 (E_RNA)
where:
Base-Base interactions energy: -141.695
where: short stacking energy: -63.327
Base-Backbone interact. energy: -1.017
local terms energy: -87.439773
where:
bonds (distance) C4'-P energy: -19.904
bonds (distance) P-C4' energy: -25.193
flat angles C4'-P-C4' energy: -19.619
flat angles P-C4'-P energy: -8.580
tors. eta vs tors. theta energy: -14.144
Dist. restrs. and SS energy: -34.200 (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: 2
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -269.136913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.136913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.136913 (E_RNA)
where:
Base-Base interactions energy: -150.344
where: short stacking energy: -67.379
Base-Backbone interact. energy: -0.175
local terms energy: -82.617942
where:
bonds (distance) C4'-P energy: -15.192
bonds (distance) P-C4' energy: -22.870
flat angles C4'-P-C4' energy: -19.892
flat angles P-C4'-P energy: -9.841
tors. eta vs tors. theta energy: -14.823
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -411.085332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.085332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.685332 (E_RNA)
where:
Base-Base interactions energy: -254.093
where: short stacking energy: -88.595
Base-Backbone interact. energy: 1.472
local terms energy: -108.064586
where:
bonds (distance) C4'-P energy: -19.849
bonds (distance) P-C4' energy: -21.567
flat angles C4'-P-C4' energy: -25.943
flat angles P-C4'-P energy: -16.258
tors. eta vs tors. theta energy: -24.448
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -410.577124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.577124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.177124 (E_RNA)
where:
Base-Base interactions energy: -248.131
where: short stacking energy: -100.583
Base-Backbone interact. energy: -1.039
local terms energy: -111.007292
where:
bonds (distance) C4'-P energy: -20.364
bonds (distance) P-C4' energy: -20.182
flat angles C4'-P-C4' energy: -23.560
flat angles P-C4'-P energy: -15.655
tors. eta vs tors. theta energy: -31.247
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -407.101338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.101338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.501338 (E_RNA)
where:
Base-Base interactions energy: -246.728
where: short stacking energy: -93.071
Base-Backbone interact. energy: -1.457
local terms energy: -110.316301
where:
bonds (distance) C4'-P energy: -23.112
bonds (distance) P-C4' energy: -22.486
flat angles C4'-P-C4' energy: -23.334
flat angles P-C4'-P energy: -12.470
tors. eta vs tors. theta energy: -28.914
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -386.559174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.559174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.159174 (E_RNA)
where:
Base-Base interactions energy: -226.225
where: short stacking energy: -96.720
Base-Backbone interact. energy: -0.040
local terms energy: -109.893851
where:
bonds (distance) C4'-P energy: -19.166
bonds (distance) P-C4' energy: -24.316
flat angles C4'-P-C4' energy: -24.172
flat angles P-C4'-P energy: -16.827
tors. eta vs tors. theta energy: -25.412
Dist. restrs. and SS energy: -50.400 (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: 6
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -290.560351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.560351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.560351 (E_RNA)
where:
Base-Base interactions energy: -166.391
where: short stacking energy: -85.921
Base-Backbone interact. energy: -0.209
local terms energy: -87.959521
where:
bonds (distance) C4'-P energy: -20.562
bonds (distance) P-C4' energy: -26.678
flat angles C4'-P-C4' energy: -15.382
flat angles P-C4'-P energy: -7.838
tors. eta vs tors. theta energy: -17.500
Dist. restrs. and SS energy: -36.000 (S_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: 125
Temperature: 1.150000
Total energy: -305.826430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.826430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.826430 (E_RNA)
where:
Base-Base interactions energy: -177.203
where: short stacking energy: -81.800
Base-Backbone interact. energy: 0.214
local terms energy: -92.836962
where:
bonds (distance) C4'-P energy: -20.873
bonds (distance) P-C4' energy: -15.496
flat angles C4'-P-C4' energy: -21.195
flat angles P-C4'-P energy: -13.122
tors. eta vs tors. theta energy: -22.151
Dist. restrs. and SS energy: -36.000 (S_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: 125
Temperature: 1.200000
Total energy: -285.141678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.141678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.141678 (E_RNA)
where:
Base-Base interactions energy: -164.557
where: short stacking energy: -73.804
Base-Backbone interact. energy: 0.625
local terms energy: -85.209475
where:
bonds (distance) C4'-P energy: -14.659
bonds (distance) P-C4' energy: -17.980
flat angles C4'-P-C4' energy: -18.870
flat angles P-C4'-P energy: -12.139
tors. eta vs tors. theta energy: -21.561
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -259.199048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.199048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.199048 (E_RNA)
where:
Base-Base interactions energy: -146.055
where: short stacking energy: -58.188
Base-Backbone interact. energy: -0.194
local terms energy: -76.950349
where:
bonds (distance) C4'-P energy: -19.079
bonds (distance) P-C4' energy: -21.931
flat angles C4'-P-C4' energy: -17.552
flat angles P-C4'-P energy: -10.686
tors. eta vs tors. theta energy: -7.702
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -257.115508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.115508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.115508 (E_RNA)
where:
Base-Base interactions energy: -140.554
where: short stacking energy: -65.866
Base-Backbone interact. energy: 0.823
local terms energy: -81.384908
where:
bonds (distance) C4'-P energy: -14.927
bonds (distance) P-C4' energy: -17.650
flat angles C4'-P-C4' energy: -20.193
flat angles P-C4'-P energy: -14.646
tors. eta vs tors. theta energy: -13.969
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -250.831727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.831727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.831727 (E_RNA)
where:
Base-Base interactions energy: -135.497
where: short stacking energy: -58.569
Base-Backbone interact. energy: -0.462
local terms energy: -78.873280
where:
bonds (distance) C4'-P energy: -18.148
bonds (distance) P-C4' energy: -21.583
flat angles C4'-P-C4' energy: -19.357
flat angles P-C4'-P energy: -10.351
tors. eta vs tors. theta energy: -9.435
Dist. restrs. and SS energy: -36.000 (S_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: 126
Temperature: 0.900000
Total energy: -419.146414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.146414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.746414 (E_RNA)
where:
Base-Base interactions energy: -255.109
where: short stacking energy: -102.987
Base-Backbone interact. energy: -0.558
local terms energy: -113.079328
where:
bonds (distance) C4'-P energy: -20.263
bonds (distance) P-C4' energy: -23.774
flat angles C4'-P-C4' energy: -21.886
flat angles P-C4'-P energy: -17.495
tors. eta vs tors. theta energy: -29.661
Dist. restrs. and SS energy: -50.400 (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: 126
Temperature: 0.950000
Total energy: -399.301254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.301254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.901254 (E_RNA)
where:
Base-Base interactions energy: -241.748
where: short stacking energy: -89.969
Base-Backbone interact. energy: -1.122
local terms energy: -106.031252
where:
bonds (distance) C4'-P energy: -20.806
bonds (distance) P-C4' energy: -23.007
flat angles C4'-P-C4' energy: -22.082
flat angles P-C4'-P energy: -17.395
tors. eta vs tors. theta energy: -22.741
Dist. restrs. and SS energy: -50.400 (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: 126
Temperature: 1.000000
Total energy: -407.871020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.871020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.471020 (E_RNA)
where:
Base-Base interactions energy: -253.165
where: short stacking energy: -102.081
Base-Backbone interact. energy: -1.815
local terms energy: -102.490243
where:
bonds (distance) C4'-P energy: -19.171
bonds (distance) P-C4' energy: -14.892
flat angles C4'-P-C4' energy: -22.978
flat angles P-C4'-P energy: -10.329
tors. eta vs tors. theta energy: -35.120
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -407.088263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.088263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.488263 (E_RNA)
where:
Base-Base interactions energy: -247.091
where: short stacking energy: -96.345
Base-Backbone interact. energy: -1.429
local terms energy: -109.968184
where:
bonds (distance) C4'-P energy: -19.581
bonds (distance) P-C4' energy: -23.053
flat angles C4'-P-C4' energy: -22.210
flat angles P-C4'-P energy: -16.242
tors. eta vs tors. theta energy: -28.882
Dist. restrs. and SS energy: -48.600 (S_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: 126
Temperature: 1.100000
Total energy: -296.619934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.619934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.619934 (E_RNA)
where:
Base-Base interactions energy: -173.193
where: short stacking energy: -79.913
Base-Backbone interact. energy: -0.439
local terms energy: -86.987955
where:
bonds (distance) C4'-P energy: -18.649
bonds (distance) P-C4' energy: -22.951
flat angles C4'-P-C4' energy: -18.970
flat angles P-C4'-P energy: -10.880
tors. eta vs tors. theta energy: -15.538
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -296.134843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.134843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.934843 (E_RNA)
where:
Base-Base interactions energy: -166.435
where: short stacking energy: -82.553
Base-Backbone interact. energy: -0.532
local terms energy: -94.967626
where:
bonds (distance) C4'-P energy: -17.536
bonds (distance) P-C4' energy: -20.034
flat angles C4'-P-C4' energy: -20.812
flat angles P-C4'-P energy: -16.797
tors. eta vs tors. theta energy: -19.788
Dist. restrs. and SS energy: -34.200 (S_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: 126
Temperature: 1.200000
Total energy: -273.240345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.240345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.240345 (E_RNA)
where:
Base-Base interactions energy: -152.619
where: short stacking energy: -65.105
Base-Backbone interact. energy: -0.278
local terms energy: -84.343775
where:
bonds (distance) C4'-P energy: -23.016
bonds (distance) P-C4' energy: -17.769
flat angles C4'-P-C4' energy: -17.533
flat angles P-C4'-P energy: -15.077
tors. eta vs tors. theta energy: -10.949
Dist. restrs. and SS energy: -36.000 (S_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: 126
Temperature: 1.250000
Total energy: -269.176967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.176967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.776967 (E_RNA)
where:
Base-Base interactions energy: -158.543
where: short stacking energy: -62.332
Base-Backbone interact. energy: -0.041
local terms energy: -78.192476
where:
bonds (distance) C4'-P energy: -18.380
bonds (distance) P-C4' energy: -15.678
flat angles C4'-P-C4' energy: -23.142
flat angles P-C4'-P energy: -10.350
tors. eta vs tors. theta energy: -10.642
Dist. restrs. and SS energy: -32.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -281.464616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.464616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.264616 (E_RNA)
where:
Base-Base interactions energy: -164.505
where: short stacking energy: -59.934
Base-Backbone interact. energy: -0.455
local terms energy: -82.304869
where:
bonds (distance) C4'-P energy: -18.103
bonds (distance) P-C4' energy: -18.578
flat angles C4'-P-C4' energy: -21.633
flat angles P-C4'-P energy: -9.966
tors. eta vs tors. theta energy: -14.025
Dist. restrs. and SS energy: -34.200 (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: 9
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -270.956056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.956056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.956056 (E_RNA)
where:
Base-Base interactions energy: -157.031
where: short stacking energy: -65.035
Base-Backbone interact. energy: -0.121
local terms energy: -77.804104
where:
bonds (distance) C4'-P energy: -8.839
bonds (distance) P-C4' energy: -19.506
flat angles C4'-P-C4' energy: -19.552
flat angles P-C4'-P energy: -10.856
tors. eta vs tors. theta energy: -19.051
Dist. restrs. and SS energy: -36.000 (S_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: 127
Temperature: 0.900000
Total energy: -409.779250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.779250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.179250 (E_RNA)
where:
Base-Base interactions energy: -247.182
where: short stacking energy: -97.533
Base-Backbone interact. energy: -0.265
local terms energy: -113.731503
where:
bonds (distance) C4'-P energy: -18.591
bonds (distance) P-C4' energy: -25.206
flat angles C4'-P-C4' energy: -23.972
flat angles P-C4'-P energy: -16.439
tors. eta vs tors. theta energy: -29.524
Dist. restrs. and SS energy: -48.600 (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: 8
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -409.669648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.669648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.269648 (E_RNA)
where:
Base-Base interactions energy: -250.622
where: short stacking energy: -95.910
Base-Backbone interact. energy: 0.069
local terms energy: -108.715928
where:
bonds (distance) C4'-P energy: -19.747
bonds (distance) P-C4' energy: -21.726
flat angles C4'-P-C4' energy: -23.939
flat angles P-C4'-P energy: -13.798
tors. eta vs tors. theta energy: -29.506
Dist. restrs. and SS energy: -50.400 (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: 3
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -393.919872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.919872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.519872 (E_RNA)
where:
Base-Base interactions energy: -245.099
where: short stacking energy: -89.783
Base-Backbone interact. energy: 2.193
local terms energy: -100.613648
where:
bonds (distance) C4'-P energy: -19.743
bonds (distance) P-C4' energy: -22.511
flat angles C4'-P-C4' energy: -24.171
flat angles P-C4'-P energy: -9.295
tors. eta vs tors. theta energy: -24.893
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -397.436409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.436409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.036409 (E_RNA)
where:
Base-Base interactions energy: -252.052
where: short stacking energy: -95.019
Base-Backbone interact. energy: -1.432
local terms energy: -93.552115
where:
bonds (distance) C4'-P energy: -15.733
bonds (distance) P-C4' energy: -12.969
flat angles C4'-P-C4' energy: -19.983
flat angles P-C4'-P energy: -16.514
tors. eta vs tors. theta energy: -28.353
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -289.748613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.748613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.548613 (E_RNA)
where:
Base-Base interactions energy: -161.478
where: short stacking energy: -77.757
Base-Backbone interact. energy: 3.092
local terms energy: -97.161982
where:
bonds (distance) C4'-P energy: -17.524
bonds (distance) P-C4' energy: -20.663
flat angles C4'-P-C4' energy: -24.657
flat angles P-C4'-P energy: -17.862
tors. eta vs tors. theta energy: -16.455
Dist. restrs. and SS energy: -34.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -286.360202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.360202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.360202 (E_RNA)
where:
Base-Base interactions energy: -149.928
where: short stacking energy: -67.710
Base-Backbone interact. energy: -0.095
local terms energy: -100.336803
where:
bonds (distance) C4'-P energy: -19.117
bonds (distance) P-C4' energy: -22.175
flat angles C4'-P-C4' energy: -20.505
flat angles P-C4'-P energy: -17.032
tors. eta vs tors. theta energy: -21.507
Dist. restrs. and SS energy: -36.000 (S_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: 127
Temperature: 1.200000
Total energy: -289.601163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.601163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.401163 (E_RNA)
where:
Base-Base interactions energy: -171.558
where: short stacking energy: -71.203
Base-Backbone interact. energy: -0.241
local terms energy: -83.602098
where:
bonds (distance) C4'-P energy: -18.318
bonds (distance) P-C4' energy: -18.447
flat angles C4'-P-C4' energy: -15.379
flat angles P-C4'-P energy: -12.652
tors. eta vs tors. theta energy: -18.806
Dist. restrs. and SS energy: -34.200 (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: 2
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -281.451590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.451590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.451590 (E_RNA)
where:
Base-Base interactions energy: -151.100
where: short stacking energy: -73.512
Base-Backbone interact. energy: -0.605
local terms energy: -93.746777
where:
bonds (distance) C4'-P energy: -22.549
bonds (distance) P-C4' energy: -23.946
flat angles C4'-P-C4' energy: -19.675
flat angles P-C4'-P energy: -11.704
tors. eta vs tors. theta energy: -15.873
Dist. restrs. and SS energy: -36.000 (S_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: 127
Temperature: 1.300000
Total energy: -246.040694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.040694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.040694 (E_RNA)
where:
Base-Base interactions energy: -127.373
where: short stacking energy: -61.407
Base-Backbone interact. energy: -0.070
local terms energy: -82.597338
where:
bonds (distance) C4'-P energy: -21.552
bonds (distance) P-C4' energy: -20.076
flat angles C4'-P-C4' energy: -24.825
flat angles P-C4'-P energy: -6.818
tors. eta vs tors. theta energy: -9.327
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -250.233286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.233286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.233286 (E_RNA)
where:
Base-Base interactions energy: -132.167
where: short stacking energy: -49.831
Base-Backbone interact. energy: -0.154
local terms energy: -81.912979
where:
bonds (distance) C4'-P energy: -18.993
bonds (distance) P-C4' energy: -16.356
flat angles C4'-P-C4' energy: -23.969
flat angles P-C4'-P energy: -11.246
tors. eta vs tors. theta energy: -11.349
Dist. restrs. and SS energy: -36.000 (S_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: 128
Temperature: 0.900000
Total energy: -414.864134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.864134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.464134 (E_RNA)
where:
Base-Base interactions energy: -249.586
where: short stacking energy: -98.370
Base-Backbone interact. energy: -1.257
local terms energy: -113.621427
where:
bonds (distance) C4'-P energy: -24.131
bonds (distance) P-C4' energy: -24.303
flat angles C4'-P-C4' energy: -23.464
flat angles P-C4'-P energy: -16.214
tors. eta vs tors. theta energy: -25.508
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -406.671221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.671221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.271221 (E_RNA)
where:
Base-Base interactions energy: -245.960
where: short stacking energy: -96.657
Base-Backbone interact. energy: -0.357
local terms energy: -109.953980
where:
bonds (distance) C4'-P energy: -22.214
bonds (distance) P-C4' energy: -23.637
flat angles C4'-P-C4' energy: -20.220
flat angles P-C4'-P energy: -14.606
tors. eta vs tors. theta energy: -29.277
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -404.582940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.582940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.982940 (E_RNA)
where:
Base-Base interactions energy: -239.968
where: short stacking energy: -94.165
Base-Backbone interact. energy: -0.039
local terms energy: -115.976657
where:
bonds (distance) C4'-P energy: -25.575
bonds (distance) P-C4' energy: -25.773
flat angles C4'-P-C4' energy: -21.027
flat angles P-C4'-P energy: -15.541
tors. eta vs tors. theta energy: -28.060
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -385.997757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.997757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.597757 (E_RNA)
where:
Base-Base interactions energy: -229.301
where: short stacking energy: -92.229
Base-Backbone interact. energy: -0.968
local terms energy: -105.328178
where:
bonds (distance) C4'-P energy: -24.515
bonds (distance) P-C4' energy: -24.363
flat angles C4'-P-C4' energy: -20.066
flat angles P-C4'-P energy: -14.271
tors. eta vs tors. theta energy: -22.114
Dist. restrs. and SS energy: -50.400 (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: 6
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -304.316503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.316503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.316503 (E_RNA)
where:
Base-Base interactions energy: -164.738
where: short stacking energy: -77.386
Base-Backbone interact. energy: 0.106
local terms energy: -103.684246
where:
bonds (distance) C4'-P energy: -20.984
bonds (distance) P-C4' energy: -22.619
flat angles C4'-P-C4' energy: -24.468
flat angles P-C4'-P energy: -14.744
tors. eta vs tors. theta energy: -20.870
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -305.074142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.074142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.074142 (E_RNA)
where:
Base-Base interactions energy: -167.808
where: short stacking energy: -83.747
Base-Backbone interact. energy: -0.069
local terms energy: -101.197360
where:
bonds (distance) C4'-P energy: -18.753
bonds (distance) P-C4' energy: -19.973
flat angles C4'-P-C4' energy: -20.104
flat angles P-C4'-P energy: -16.628
tors. eta vs tors. theta energy: -25.740
Dist. restrs. and SS energy: -36.000 (S_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: 128
Temperature: 1.200000
Total energy: -274.855832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.855832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.855832 (E_RNA)
where:
Base-Base interactions energy: -144.537
where: short stacking energy: -76.784
Base-Backbone interact. energy: -0.002
local terms energy: -94.316674
where:
bonds (distance) C4'-P energy: -19.763
bonds (distance) P-C4' energy: -25.586
flat angles C4'-P-C4' energy: -24.361
flat angles P-C4'-P energy: -9.636
tors. eta vs tors. theta energy: -14.970
Dist. restrs. and SS energy: -36.000 (S_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: 128
Temperature: 1.250000
Total energy: -288.818012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.818012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.818012 (E_RNA)
where:
Base-Base interactions energy: -174.632
where: short stacking energy: -74.248
Base-Backbone interact. energy: -0.431
local terms energy: -77.755559
where:
bonds (distance) C4'-P energy: -13.010
bonds (distance) P-C4' energy: -16.461
flat angles C4'-P-C4' energy: -18.424
flat angles P-C4'-P energy: -16.662
tors. eta vs tors. theta energy: -13.199
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -269.606550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.606550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.206550 (E_RNA)
where:
Base-Base interactions energy: -150.881
where: short stacking energy: -67.349
Base-Backbone interact. energy: -0.013
local terms energy: -86.313195
where:
bonds (distance) C4'-P energy: -21.794
bonds (distance) P-C4' energy: -18.428
flat angles C4'-P-C4' energy: -17.123
flat angles P-C4'-P energy: -10.905
tors. eta vs tors. theta energy: -18.064
Dist. restrs. and SS energy: -32.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -262.552616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.552616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.552616 (E_RNA)
where:
Base-Base interactions energy: -139.167
where: short stacking energy: -66.055
Base-Backbone interact. energy: -0.274
local terms energy: -87.111994
where:
bonds (distance) C4'-P energy: -15.010
bonds (distance) P-C4' energy: -25.330
flat angles C4'-P-C4' energy: -23.091
flat angles P-C4'-P energy: -12.786
tors. eta vs tors. theta energy: -10.895
Dist. restrs. and SS energy: -36.000 (S_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: 129
Temperature: 0.900000
Total energy: -419.468929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.468929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.868929 (E_RNA)
where:
Base-Base interactions energy: -266.647
where: short stacking energy: -107.265
Base-Backbone interact. energy: -0.441
local terms energy: -103.781015
where:
bonds (distance) C4'-P energy: -23.923
bonds (distance) P-C4' energy: -14.629
flat angles C4'-P-C4' energy: -18.999
flat angles P-C4'-P energy: -19.569
tors. eta vs tors. theta energy: -26.661
Dist. restrs. and SS energy: -48.600 (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: 5
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -404.950105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.950105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.550105 (E_RNA)
where:
Base-Base interactions energy: -236.485
where: short stacking energy: -107.658
Base-Backbone interact. energy: -0.398
local terms energy: -117.667552
where:
bonds (distance) C4'-P energy: -22.317
bonds (distance) P-C4' energy: -24.308
flat angles C4'-P-C4' energy: -23.179
flat angles P-C4'-P energy: -20.014
tors. eta vs tors. theta energy: -27.851
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -387.529075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.529075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.129075 (E_RNA)
where:
Base-Base interactions energy: -228.313
where: short stacking energy: -82.950
Base-Backbone interact. energy: -0.552
local terms energy: -108.264127
where:
bonds (distance) C4'-P energy: -24.445
bonds (distance) P-C4' energy: -24.831
flat angles C4'-P-C4' energy: -17.276
flat angles P-C4'-P energy: -13.141
tors. eta vs tors. theta energy: -28.570
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -394.568936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.568936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.168936 (E_RNA)
where:
Base-Base interactions energy: -235.247
where: short stacking energy: -88.224
Base-Backbone interact. energy: -0.310
local terms energy: -108.611712
where:
bonds (distance) C4'-P energy: -21.700
bonds (distance) P-C4' energy: -21.435
flat angles C4'-P-C4' energy: -24.560
flat angles P-C4'-P energy: -15.128
tors. eta vs tors. theta energy: -25.789
Dist. restrs. and SS energy: -50.400 (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: 6
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -305.217339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.217339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.017339 (E_RNA)
where:
Base-Base interactions energy: -169.728
where: short stacking energy: -88.617
Base-Backbone interact. energy: -0.474
local terms energy: -100.815115
where:
bonds (distance) C4'-P energy: -17.989
bonds (distance) P-C4' energy: -18.338
flat angles C4'-P-C4' energy: -23.928
flat angles P-C4'-P energy: -17.309
tors. eta vs tors. theta energy: -23.252
Dist. restrs. and SS energy: -34.200 (S_DIST_RNA)
chem. 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: -274.294882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.294882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.294882 (E_RNA)
where:
Base-Base interactions energy: -142.898
where: short stacking energy: -69.073
Base-Backbone interact. energy: -0.056
local terms energy: -95.340602
where:
bonds (distance) C4'-P energy: -23.448
bonds (distance) P-C4' energy: -18.870
flat angles C4'-P-C4' energy: -24.212
flat angles P-C4'-P energy: -10.588
tors. eta vs tors. theta energy: -18.222
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -302.522500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.522500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.522500 (E_RNA)
where:
Base-Base interactions energy: -166.574
where: short stacking energy: -79.365
Base-Backbone interact. energy: 2.372
local terms energy: -102.320102
where:
bonds (distance) C4'-P energy: -18.278
bonds (distance) P-C4' energy: -23.072
flat angles C4'-P-C4' energy: -24.024
flat angles P-C4'-P energy: -19.191
tors. eta vs tors. theta energy: -17.755
Dist. restrs. and SS energy: -36.000 (S_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: 129
Temperature: 1.250000
Total energy: -273.646420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.646420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.646420 (E_RNA)
where:
Base-Base interactions energy: -155.633
where: short stacking energy: -80.325
Base-Backbone interact. energy: -0.225
local terms energy: -81.788232
where:
bonds (distance) C4'-P energy: -17.331
bonds (distance) P-C4' energy: -20.799
flat angles C4'-P-C4' energy: -13.323
flat angles P-C4'-P energy: -15.914
tors. eta vs tors. theta energy: -14.422
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -270.649886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.649886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.449886 (E_RNA)
where:
Base-Base interactions energy: -146.065
where: short stacking energy: -61.038
Base-Backbone interact. energy: -0.198
local terms energy: -90.187567
where:
bonds (distance) C4'-P energy: -22.673
bonds (distance) P-C4' energy: -21.291
flat angles C4'-P-C4' energy: -22.695
flat angles P-C4'-P energy: -8.797
tors. eta vs tors. theta energy: -14.732
Dist. restrs. and SS energy: -34.200 (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: 4
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -245.031148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.031148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.031148 (E_RNA)
where:
Base-Base interactions energy: -122.989
where: short stacking energy: -55.638
Base-Backbone interact. energy: -0.377
local terms energy: -85.665404
where:
bonds (distance) C4'-P energy: -23.017
bonds (distance) P-C4' energy: -15.874
flat angles C4'-P-C4' energy: -22.474
flat angles P-C4'-P energy: -15.562
tors. eta vs tors. theta energy: -8.738
Dist. restrs. and SS energy: -36.000 (S_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: 130
Temperature: 0.900000
Total energy: -411.257269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.257269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.857269 (E_RNA)
where:
Base-Base interactions energy: -250.599
where: short stacking energy: -103.061
Base-Backbone interact. energy: -0.873
local terms energy: -109.385019
where:
bonds (distance) C4'-P energy: -23.560
bonds (distance) P-C4' energy: -19.259
flat angles C4'-P-C4' energy: -21.724
flat angles P-C4'-P energy: -19.283
tors. eta vs tors. theta energy: -25.559
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -402.113695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.113695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.713695 (E_RNA)
where:
Base-Base interactions energy: -238.558
where: short stacking energy: -95.005
Base-Backbone interact. energy: -0.526
local terms energy: -112.630137
where:
bonds (distance) C4'-P energy: -19.971
bonds (distance) P-C4' energy: -26.308
flat angles C4'-P-C4' energy: -23.505
flat angles P-C4'-P energy: -16.566
tors. eta vs tors. theta energy: -26.280
Dist. restrs. and SS energy: -50.400 (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: 3
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -392.685297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.685297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.285297 (E_RNA)
where:
Base-Base interactions energy: -247.186
where: short stacking energy: -89.187
Base-Backbone interact. energy: -0.660
local terms energy: -94.439065
where:
bonds (distance) C4'-P energy: -22.246
bonds (distance) P-C4' energy: -15.038
flat angles C4'-P-C4' energy: -15.474
flat angles P-C4'-P energy: -15.273
tors. eta vs tors. theta energy: -26.408
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -381.968747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.968747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.568747 (E_RNA)
where:
Base-Base interactions energy: -229.444
where: short stacking energy: -87.394
Base-Backbone interact. energy: -1.068
local terms energy: -101.057334
where:
bonds (distance) C4'-P energy: -10.436
bonds (distance) P-C4' energy: -25.777
flat angles C4'-P-C4' energy: -23.624
flat angles P-C4'-P energy: -17.194
tors. eta vs tors. theta energy: -24.026
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -289.226932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.226932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.226932 (E_RNA)
where:
Base-Base interactions energy: -149.481
where: short stacking energy: -82.257
Base-Backbone interact. energy: -0.012
local terms energy: -103.733257
where:
bonds (distance) C4'-P energy: -19.706
bonds (distance) P-C4' energy: -22.244
flat angles C4'-P-C4' energy: -21.829
flat angles P-C4'-P energy: -14.507
tors. eta vs tors. theta energy: -25.447
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -285.835647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.835647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.835647 (E_RNA)
where:
Base-Base interactions energy: -147.477
where: short stacking energy: -67.078
Base-Backbone interact. energy: -0.306
local terms energy: -102.052247
where:
bonds (distance) C4'-P energy: -23.738
bonds (distance) P-C4' energy: -23.648
flat angles C4'-P-C4' energy: -21.024
flat angles P-C4'-P energy: -16.930
tors. eta vs tors. theta energy: -16.713
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -272.420858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.420858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.820858 (E_RNA)
where:
Base-Base interactions energy: -142.713
where: short stacking energy: -74.083
Base-Backbone interact. energy: -1.639
local terms energy: -97.469301
where:
bonds (distance) C4'-P energy: -24.917
bonds (distance) P-C4' energy: -25.437
flat angles C4'-P-C4' energy: -19.054
flat angles P-C4'-P energy: -12.481
tors. eta vs tors. theta energy: -15.581
Dist. restrs. and SS energy: -30.600 (S_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: 130
Temperature: 1.250000
Total energy: -286.038756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.038756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.838756 (E_RNA)
where:
Base-Base interactions energy: -164.657
where: short stacking energy: -65.525
Base-Backbone interact. energy: -0.351
local terms energy: -86.830621
where:
bonds (distance) C4'-P energy: -20.982
bonds (distance) P-C4' energy: -13.618
flat angles C4'-P-C4' energy: -21.243
flat angles P-C4'-P energy: -12.670
tors. eta vs tors. theta energy: -18.318
Dist. restrs. and SS energy: -34.200 (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: 4
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -267.855582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.855582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.855582 (E_RNA)
where:
Base-Base interactions energy: -154.982
where: short stacking energy: -72.402
Base-Backbone interact. energy: 0.607
local terms energy: -77.480409
where:
bonds (distance) C4'-P energy: -15.131
bonds (distance) P-C4' energy: -19.541
flat angles C4'-P-C4' energy: -16.677
flat angles P-C4'-P energy: -13.127
tors. eta vs tors. theta energy: -13.005
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -260.629224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.629224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.629224 (E_RNA)
where:
Base-Base interactions energy: -146.594
where: short stacking energy: -63.056
Base-Backbone interact. energy: -0.051
local terms energy: -77.983865
where:
bonds (distance) C4'-P energy: -10.185
bonds (distance) P-C4' energy: -17.470
flat angles C4'-P-C4' energy: -22.693
flat angles P-C4'-P energy: -12.548
tors. eta vs tors. theta energy: -15.089
Dist. restrs. and SS energy: -36.000 (S_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: 131
Temperature: 0.900000
Total energy: -414.149202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.149202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.749202 (E_RNA)
where:
Base-Base interactions energy: -246.068
where: short stacking energy: -100.448
Base-Backbone interact. energy: -1.591
local terms energy: -116.089858
where:
bonds (distance) C4'-P energy: -21.451
bonds (distance) P-C4' energy: -24.978
flat angles C4'-P-C4' energy: -24.030
flat angles P-C4'-P energy: -17.331
tors. eta vs tors. theta energy: -28.300
Dist. restrs. and SS energy: -50.400 (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: 131
Temperature: 0.950000
Total energy: -397.906035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.906035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.506035 (E_RNA)
where:
Base-Base interactions energy: -237.519
where: short stacking energy: -90.162
Base-Backbone interact. energy: -0.733
local terms energy: -109.254356
where:
bonds (distance) C4'-P energy: -22.549
bonds (distance) P-C4' energy: -23.562
flat angles C4'-P-C4' energy: -22.954
flat angles P-C4'-P energy: -14.619
tors. eta vs tors. theta energy: -25.570
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -399.704332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.704332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.304332 (E_RNA)
where:
Base-Base interactions energy: -253.948
where: short stacking energy: -101.211
Base-Backbone interact. energy: -1.145
local terms energy: -94.211280
where:
bonds (distance) C4'-P energy: -16.826
bonds (distance) P-C4' energy: -21.291
flat angles C4'-P-C4' energy: -16.055
flat angles P-C4'-P energy: -15.750
tors. eta vs tors. theta energy: -24.288
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -381.734108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.734108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.934108 (E_RNA)
where:
Base-Base interactions energy: -230.674
where: short stacking energy: -91.552
Base-Backbone interact. energy: -1.821
local terms energy: -102.438886
where:
bonds (distance) C4'-P energy: -23.353
bonds (distance) P-C4' energy: -23.532
flat angles C4'-P-C4' energy: -19.181
flat angles P-C4'-P energy: -11.844
tors. eta vs tors. theta energy: -24.529
Dist. restrs. and SS energy: -46.800 (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: 1
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -290.187154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.187154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.187154 (E_RNA)
where:
Base-Base interactions energy: -154.478
where: short stacking energy: -74.139
Base-Backbone interact. energy: -0.208
local terms energy: -99.501590
where:
bonds (distance) C4'-P energy: -23.966
bonds (distance) P-C4' energy: -21.597
flat angles C4'-P-C4' energy: -19.999
flat angles P-C4'-P energy: -13.925
tors. eta vs tors. theta energy: -20.014
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -286.231059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.231059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.031059 (E_RNA)
where:
Base-Base interactions energy: -168.536
where: short stacking energy: -84.480
Base-Backbone interact. energy: -0.392
local terms energy: -83.103015
where:
bonds (distance) C4'-P energy: -19.143
bonds (distance) P-C4' energy: -12.924
flat angles C4'-P-C4' energy: -20.804
flat angles P-C4'-P energy: -12.935
tors. eta vs tors. theta energy: -17.297
Dist. restrs. and SS energy: -34.200 (S_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: 131
Temperature: 1.200000
Total energy: -287.069370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.069370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.069370 (E_RNA)
where:
Base-Base interactions energy: -153.891
where: short stacking energy: -71.648
Base-Backbone interact. energy: -0.209
local terms energy: -96.969786
where:
bonds (distance) C4'-P energy: -27.364
bonds (distance) P-C4' energy: -25.212
flat angles C4'-P-C4' energy: -16.941
flat angles P-C4'-P energy: -13.148
tors. eta vs tors. theta energy: -14.305
Dist. restrs. and SS energy: -36.000 (S_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: 131
Temperature: 1.250000
Total energy: -292.955523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.955523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.955523 (E_RNA)
where:
Base-Base interactions energy: -160.214
where: short stacking energy: -60.894
Base-Backbone interact. energy: -0.695
local terms energy: -96.046748
where:
bonds (distance) C4'-P energy: -15.806
bonds (distance) P-C4' energy: -22.880
flat angles C4'-P-C4' energy: -22.299
flat angles P-C4'-P energy: -18.482
tors. eta vs tors. theta energy: -16.579
Dist. restrs. and SS energy: -36.000 (S_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: 131
Temperature: 1.300000
Total energy: -268.891592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.891592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.691592 (E_RNA)
where:
Base-Base interactions energy: -148.569
where: short stacking energy: -62.013
Base-Backbone interact. energy: -0.128
local terms energy: -85.994951
where:
bonds (distance) C4'-P energy: -20.002
bonds (distance) P-C4' energy: -20.474
flat angles C4'-P-C4' energy: -19.130
flat angles P-C4'-P energy: -11.180
tors. eta vs tors. theta energy: -15.208
Dist. restrs. and SS energy: -34.200 (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: 2
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -260.408475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.408475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.208475 (E_RNA)
where:
Base-Base interactions energy: -130.255
where: short stacking energy: -50.415
Base-Backbone interact. energy: -0.388
local terms energy: -95.565025
where:
bonds (distance) C4'-P energy: -23.684
bonds (distance) P-C4' energy: -23.383
flat angles C4'-P-C4' energy: -21.294
flat angles P-C4'-P energy: -14.705
tors. eta vs tors. theta energy: -12.499
Dist. restrs. and SS energy: -34.200 (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: 8
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -416.262496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.262496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.862496 (E_RNA)
where:
Base-Base interactions energy: -253.704
where: short stacking energy: -99.534
Base-Backbone interact. energy: -2.329
local terms energy: -109.829621
where:
bonds (distance) C4'-P energy: -18.662
bonds (distance) P-C4' energy: -21.842
flat angles C4'-P-C4' energy: -23.695
flat angles P-C4'-P energy: -15.385
tors. eta vs tors. theta energy: -30.244
Dist. restrs. and SS energy: -50.400 (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: 132
Temperature: 0.950000
Total energy: -401.777647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.777647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.177647 (E_RNA)
where:
Base-Base interactions energy: -239.502
where: short stacking energy: -93.108
Base-Backbone interact. energy: -1.078
local terms energy: -112.597502
where:
bonds (distance) C4'-P energy: -20.038
bonds (distance) P-C4' energy: -24.764
flat angles C4'-P-C4' energy: -22.736
flat angles P-C4'-P energy: -15.050
tors. eta vs tors. theta energy: -30.009
Dist. restrs. and SS energy: -48.600 (S_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: 132
Temperature: 1.000000
Total energy: -402.688158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.688158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.288158 (E_RNA)
where:
Base-Base interactions energy: -240.652
where: short stacking energy: -89.468
Base-Backbone interact. energy: -0.769
local terms energy: -110.867222
where:
bonds (distance) C4'-P energy: -25.506
bonds (distance) P-C4' energy: -22.210
flat angles C4'-P-C4' energy: -20.933
flat angles P-C4'-P energy: -14.316
tors. eta vs tors. theta energy: -27.902
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -382.036286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.036286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.436286 (E_RNA)
where:
Base-Base interactions energy: -224.457
where: short stacking energy: -83.643
Base-Backbone interact. energy: -0.982
local terms energy: -107.997382
where:
bonds (distance) C4'-P energy: -16.074
bonds (distance) P-C4' energy: -27.192
flat angles C4'-P-C4' energy: -21.276
flat angles P-C4'-P energy: -18.728
tors. eta vs tors. theta energy: -24.728
Dist. restrs. and SS energy: -48.600 (S_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: 132
Temperature: 1.100000
Total energy: -270.261970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.261970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.261970 (E_RNA)
where:
Base-Base interactions energy: -139.278
where: short stacking energy: -74.587
Base-Backbone interact. energy: -0.278
local terms energy: -94.706917
where:
bonds (distance) C4'-P energy: -23.258
bonds (distance) P-C4' energy: -23.110
flat angles C4'-P-C4' energy: -22.147
flat angles P-C4'-P energy: -14.269
tors. eta vs tors. theta energy: -11.923
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -278.774999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.774999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.774999 (E_RNA)
where:
Base-Base interactions energy: -157.171
where: short stacking energy: -66.465
Base-Backbone interact. energy: -0.309
local terms energy: -85.294910
where:
bonds (distance) C4'-P energy: -18.682
bonds (distance) P-C4' energy: -19.320
flat angles C4'-P-C4' energy: -21.054
flat angles P-C4'-P energy: -10.712
tors. eta vs tors. theta energy: -15.527
Dist. restrs. and SS energy: -36.000 (S_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: -296.563287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.563287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.563287 (E_RNA)
where:
Base-Base interactions energy: -169.237
where: short stacking energy: -78.320
Base-Backbone interact. energy: -0.534
local terms energy: -90.792329
where:
bonds (distance) C4'-P energy: -14.788
bonds (distance) P-C4' energy: -17.529
flat angles C4'-P-C4' energy: -22.631
flat angles P-C4'-P energy: -15.232
tors. eta vs tors. theta energy: -20.613
Dist. restrs. and SS energy: -36.000 (S_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: 132
Temperature: 1.250000
Total energy: -278.894181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.894181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.894181 (E_RNA)
where:
Base-Base interactions energy: -146.110
where: short stacking energy: -60.881
Base-Backbone interact. energy: -0.249
local terms energy: -96.535690
where:
bonds (distance) C4'-P energy: -24.309
bonds (distance) P-C4' energy: -20.784
flat angles C4'-P-C4' energy: -20.336
flat angles P-C4'-P energy: -17.331
tors. eta vs tors. theta energy: -13.776
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -258.135769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.135769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.135769 (E_RNA)
where:
Base-Base interactions energy: -138.438
where: short stacking energy: -66.166
Base-Backbone interact. energy: -0.223
local terms energy: -83.475546
where:
bonds (distance) C4'-P energy: -18.842
bonds (distance) P-C4' energy: -15.744
flat angles C4'-P-C4' energy: -18.835
flat angles P-C4'-P energy: -14.503
tors. eta vs tors. theta energy: -15.551
Dist. restrs. and SS energy: -36.000 (S_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: -264.530846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.530846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.330846 (E_RNA)
where:
Base-Base interactions energy: -148.281
where: short stacking energy: -61.155
Base-Backbone interact. energy: -0.973
local terms energy: -81.077295
where:
bonds (distance) C4'-P energy: -10.796
bonds (distance) P-C4' energy: -21.294
flat angles C4'-P-C4' energy: -16.877
flat angles P-C4'-P energy: -17.019
tors. eta vs tors. theta energy: -15.091
Dist. restrs. and SS energy: -34.200 (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: 8
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -412.671495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.671495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.671495 (E_RNA)
where:
Base-Base interactions energy: -246.394
where: short stacking energy: -98.096
Base-Backbone interact. energy: 1.440
local terms energy: -122.718137
where:
bonds (distance) C4'-P energy: -22.490
bonds (distance) P-C4' energy: -24.383
flat angles C4'-P-C4' energy: -26.296
flat angles P-C4'-P energy: -18.402
tors. eta vs tors. theta energy: -31.146
Dist. restrs. and SS energy: -45.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -404.987976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.987976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.587976 (E_RNA)
where:
Base-Base interactions energy: -240.808
where: short stacking energy: -98.363
Base-Backbone interact. energy: -1.053
local terms energy: -112.726843
where:
bonds (distance) C4'-P energy: -20.574
bonds (distance) P-C4' energy: -20.965
flat angles C4'-P-C4' energy: -24.035
flat angles P-C4'-P energy: -18.871
tors. eta vs tors. theta energy: -28.282
Dist. restrs. and SS energy: -50.400 (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: 3
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -406.108948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.108948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.508948 (E_RNA)
where:
Base-Base interactions energy: -235.868
where: short stacking energy: -95.339
Base-Backbone interact. energy: -0.696
local terms energy: -120.944862
where:
bonds (distance) C4'-P energy: -22.811
bonds (distance) P-C4' energy: -22.336
flat angles C4'-P-C4' energy: -24.199
flat angles P-C4'-P energy: -20.629
tors. eta vs tors. theta energy: -30.971
Dist. restrs. and SS energy: -48.600 (S_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: -381.293655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.293655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.893655 (E_RNA)
where:
Base-Base interactions energy: -223.660
where: short stacking energy: -79.597
Base-Backbone interact. energy: -0.191
local terms energy: -107.042668
where:
bonds (distance) C4'-P energy: -20.952
bonds (distance) P-C4' energy: -19.456
flat angles C4'-P-C4' energy: -21.670
flat angles P-C4'-P energy: -17.376
tors. eta vs tors. theta energy: -27.588
Dist. restrs. and SS energy: -50.400 (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: 9
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -288.985552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.985552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.785552 (E_RNA)
where:
Base-Base interactions energy: -159.628
where: short stacking energy: -69.187
Base-Backbone interact. energy: 0.226
local terms energy: -95.384045
where:
bonds (distance) C4'-P energy: -21.199
bonds (distance) P-C4' energy: -22.280
flat angles C4'-P-C4' energy: -24.057
flat angles P-C4'-P energy: -15.653
tors. eta vs tors. theta energy: -12.195
Dist. restrs. and SS energy: -34.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -306.462590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.462590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.462590 (E_RNA)
where:
Base-Base interactions energy: -183.958
where: short stacking energy: -86.775
Base-Backbone interact. energy: 0.834
local terms energy: -87.339166
where:
bonds (distance) C4'-P energy: -18.624
bonds (distance) P-C4' energy: -16.576
flat angles C4'-P-C4' energy: -20.702
flat angles P-C4'-P energy: -13.717
tors. eta vs tors. theta energy: -17.721
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -283.734109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.734109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.734109 (E_RNA)
where:
Base-Base interactions energy: -157.469
where: short stacking energy: -77.514
Base-Backbone interact. energy: -0.044
local terms energy: -90.220644
where:
bonds (distance) C4'-P energy: -17.310
bonds (distance) P-C4' energy: -21.889
flat angles C4'-P-C4' energy: -19.464
flat angles P-C4'-P energy: -13.368
tors. eta vs tors. theta energy: -18.189
Dist. restrs. and SS energy: -36.000 (S_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: 133
Temperature: 1.250000
Total energy: -285.121773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.121773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.121773 (E_RNA)
where:
Base-Base interactions energy: -162.126
where: short stacking energy: -72.347
Base-Backbone interact. energy: -0.153
local terms energy: -86.842901
where:
bonds (distance) C4'-P energy: -21.084
bonds (distance) P-C4' energy: -23.008
flat angles C4'-P-C4' energy: -21.326
flat angles P-C4'-P energy: -6.366
tors. eta vs tors. theta energy: -15.060
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -262.451915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.451915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.451915 (E_RNA)
where:
Base-Base interactions energy: -132.757
where: short stacking energy: -63.274
Base-Backbone interact. energy: 0.777
local terms energy: -94.471420
where:
bonds (distance) C4'-P energy: -17.433
bonds (distance) P-C4' energy: -22.968
flat angles C4'-P-C4' energy: -20.552
flat angles P-C4'-P energy: -19.025
tors. eta vs tors. theta energy: -14.493
Dist. restrs. and SS energy: -36.000 (S_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: -261.327455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.327455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.327455 (E_RNA)
where:
Base-Base interactions energy: -137.262
where: short stacking energy: -58.163
Base-Backbone interact. energy: -0.118
local terms energy: -87.948345
where:
bonds (distance) C4'-P energy: -23.389
bonds (distance) P-C4' energy: -20.111
flat angles C4'-P-C4' energy: -19.002
flat angles P-C4'-P energy: -14.528
tors. eta vs tors. theta energy: -10.918
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -410.426631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.426631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.026631 (E_RNA)
where:
Base-Base interactions energy: -241.624
where: short stacking energy: -95.132
Base-Backbone interact. energy: -1.450
local terms energy: -116.952539
where:
bonds (distance) C4'-P energy: -22.416
bonds (distance) P-C4' energy: -23.224
flat angles C4'-P-C4' energy: -20.212
flat angles P-C4'-P energy: -20.097
tors. eta vs tors. theta energy: -31.004
Dist. restrs. and SS energy: -50.400 (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: 8
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -410.879304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.879304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.479304 (E_RNA)
where:
Base-Base interactions energy: -251.222
where: short stacking energy: -99.914
Base-Backbone interact. energy: -0.109
local terms energy: -109.148186
where:
bonds (distance) C4'-P energy: -18.614
bonds (distance) P-C4' energy: -24.769
flat angles C4'-P-C4' energy: -19.042
flat angles P-C4'-P energy: -18.252
tors. eta vs tors. theta energy: -28.472
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -392.888700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.888700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.488700 (E_RNA)
where:
Base-Base interactions energy: -231.784
where: short stacking energy: -91.216
Base-Backbone interact. energy: -1.162
local terms energy: -109.542585
where:
bonds (distance) C4'-P energy: -22.488
bonds (distance) P-C4' energy: -23.362
flat angles C4'-P-C4' energy: -22.190
flat angles P-C4'-P energy: -14.143
tors. eta vs tors. theta energy: -27.360
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -391.599436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.599436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.199436 (E_RNA)
where:
Base-Base interactions energy: -238.820
where: short stacking energy: -91.116
Base-Backbone interact. energy: -0.868
local terms energy: -101.511391
where:
bonds (distance) C4'-P energy: -15.406
bonds (distance) P-C4' energy: -23.717
flat angles C4'-P-C4' energy: -21.850
flat angles P-C4'-P energy: -14.121
tors. eta vs tors. theta energy: -26.417
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -309.642619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.642619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.642619 (E_RNA)
where:
Base-Base interactions energy: -176.261
where: short stacking energy: -86.165
Base-Backbone interact. energy: -0.228
local terms energy: -97.153273
where:
bonds (distance) C4'-P energy: -23.516
bonds (distance) P-C4' energy: -18.801
flat angles C4'-P-C4' energy: -23.245
flat angles P-C4'-P energy: -13.252
tors. eta vs tors. theta energy: -18.340
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -287.954595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.954595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.954595 (E_RNA)
where:
Base-Base interactions energy: -164.710
where: short stacking energy: -77.171
Base-Backbone interact. energy: -0.249
local terms energy: -86.995295
where:
bonds (distance) C4'-P energy: -19.172
bonds (distance) P-C4' energy: -19.711
flat angles C4'-P-C4' energy: -18.617
flat angles P-C4'-P energy: -13.904
tors. eta vs tors. theta energy: -15.591
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -301.357558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.357558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.357558 (E_RNA)
where:
Base-Base interactions energy: -172.060
where: short stacking energy: -90.162
Base-Backbone interact. energy: -0.139
local terms energy: -93.157715
where:
bonds (distance) C4'-P energy: -18.506
bonds (distance) P-C4' energy: -18.689
flat angles C4'-P-C4' energy: -21.943
flat angles P-C4'-P energy: -13.565
tors. eta vs tors. theta energy: -20.455
Dist. restrs. and SS energy: -36.000 (S_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: 134
Temperature: 1.250000
Total energy: -256.805090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.805090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.805090 (E_RNA)
where:
Base-Base interactions energy: -140.174
where: short stacking energy: -53.212
Base-Backbone interact. energy: -0.266
local terms energy: -80.364829
where:
bonds (distance) C4'-P energy: -20.287
bonds (distance) P-C4' energy: -20.637
flat angles C4'-P-C4' energy: -17.763
flat angles P-C4'-P energy: -13.272
tors. eta vs tors. theta energy: -8.405
Dist. restrs. and SS energy: -36.000 (S_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: -253.700624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.700624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.500624 (E_RNA)
where:
Base-Base interactions energy: -135.038
where: short stacking energy: -67.759
Base-Backbone interact. energy: -0.198
local terms energy: -84.264846
where:
bonds (distance) C4'-P energy: -24.338
bonds (distance) P-C4' energy: -17.660
flat angles C4'-P-C4' energy: -16.970
flat angles P-C4'-P energy: -14.183
tors. eta vs tors. theta energy: -11.115
Dist. restrs. and SS energy: -34.200 (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: 2
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -275.197515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.197515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.997515 (E_RNA)
where:
Base-Base interactions energy: -154.278
where: short stacking energy: -70.849
Base-Backbone interact. energy: -0.537
local terms energy: -86.182859
where:
bonds (distance) C4'-P energy: -16.493
bonds (distance) P-C4' energy: -18.917
flat angles C4'-P-C4' energy: -20.300
flat angles P-C4'-P energy: -16.585
tors. eta vs tors. theta energy: -13.887
Dist. restrs. and SS energy: -34.200 (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: 5
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -418.694841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.694841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.094841 (E_RNA)
where:
Base-Base interactions energy: -265.147
where: short stacking energy: -96.385
Base-Backbone interact. energy: -0.533
local terms energy: -104.414476
where:
bonds (distance) C4'-P energy: -22.548
bonds (distance) P-C4' energy: -20.657
flat angles C4'-P-C4' energy: -17.588
flat angles P-C4'-P energy: -15.627
tors. eta vs tors. theta energy: -27.994
Dist. restrs. and SS energy: -48.600 (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: 10
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -392.053963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.053963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.653963 (E_RNA)
where:
Base-Base interactions energy: -241.174
where: short stacking energy: -84.698
Base-Backbone interact. energy: -1.221
local terms energy: -99.258310
where:
bonds (distance) C4'-P energy: -23.891
bonds (distance) P-C4' energy: -21.957
flat angles C4'-P-C4' energy: -20.068
flat angles P-C4'-P energy: -10.159
tors. eta vs tors. theta energy: -23.183
Dist. restrs. and SS energy: -50.400 (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: 135
Temperature: 1.000000
Total energy: -404.194370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.194370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.794370 (E_RNA)
where:
Base-Base interactions energy: -246.526
where: short stacking energy: -94.929
Base-Backbone interact. energy: -0.075
local terms energy: -107.193467
where:
bonds (distance) C4'-P energy: -22.570
bonds (distance) P-C4' energy: -23.230
flat angles C4'-P-C4' energy: -17.482
flat angles P-C4'-P energy: -15.800
tors. eta vs tors. theta energy: -28.112
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -397.948726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.948726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.348726 (E_RNA)
where:
Base-Base interactions energy: -242.307
where: short stacking energy: -93.075
Base-Backbone interact. energy: -0.913
local terms energy: -106.128732
where:
bonds (distance) C4'-P energy: -16.254
bonds (distance) P-C4' energy: -25.040
flat angles C4'-P-C4' energy: -22.637
flat angles P-C4'-P energy: -18.264
tors. eta vs tors. theta energy: -23.934
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -310.261130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.261130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.061130 (E_RNA)
where:
Base-Base interactions energy: -179.252
where: short stacking energy: -98.017
Base-Backbone interact. energy: -0.015
local terms energy: -96.794645
where:
bonds (distance) C4'-P energy: -16.944
bonds (distance) P-C4' energy: -17.002
flat angles C4'-P-C4' energy: -20.357
flat angles P-C4'-P energy: -13.496
tors. eta vs tors. theta energy: -28.996
Dist. restrs. and SS energy: -34.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -309.797774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.797774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.797774 (E_RNA)
where:
Base-Base interactions energy: -172.104
where: short stacking energy: -87.752
Base-Backbone interact. energy: -0.011
local terms energy: -101.682273
where:
bonds (distance) C4'-P energy: -15.873
bonds (distance) P-C4' energy: -24.531
flat angles C4'-P-C4' energy: -15.839
flat angles P-C4'-P energy: -19.630
tors. eta vs tors. theta energy: -25.810
Dist. restrs. and SS energy: -36.000 (S_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: 135
Temperature: 1.200000
Total energy: -263.079980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.079980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.079980 (E_RNA)
where:
Base-Base interactions energy: -143.889
where: short stacking energy: -68.155
Base-Backbone interact. energy: -0.142
local terms energy: -83.049779
where:
bonds (distance) C4'-P energy: -20.198
bonds (distance) P-C4' energy: -18.850
flat angles C4'-P-C4' energy: -11.372
flat angles P-C4'-P energy: -20.879
tors. eta vs tors. theta energy: -11.751
Dist. restrs. and SS energy: -36.000 (S_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: -258.956521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.956521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.756521 (E_RNA)
where:
Base-Base interactions energy: -128.219
where: short stacking energy: -65.296
Base-Backbone interact. energy: -0.225
local terms energy: -96.311971
where:
bonds (distance) C4'-P energy: -21.601
bonds (distance) P-C4' energy: -23.561
flat angles C4'-P-C4' energy: -22.770
flat angles P-C4'-P energy: -13.494
tors. eta vs tors. theta energy: -14.886
Dist. restrs. and SS energy: -34.200 (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: 6
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -245.906534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.906534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.706534 (E_RNA)
where:
Base-Base interactions energy: -134.580
where: short stacking energy: -60.914
Base-Backbone interact. energy: -0.065
local terms energy: -77.061413
where:
bonds (distance) C4'-P energy: -25.258
bonds (distance) P-C4' energy: -17.899
flat angles C4'-P-C4' energy: -19.107
flat angles P-C4'-P energy: -6.811
tors. eta vs tors. theta energy: -7.986
Dist. restrs. and SS energy: -34.200 (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: 2
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -240.936873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.936873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.936873 (E_RNA)
where:
Base-Base interactions energy: -132.667
where: short stacking energy: -49.343
Base-Backbone interact. energy: -1.169
local terms energy: -71.100936
where:
bonds (distance) C4'-P energy: -10.598
bonds (distance) P-C4' energy: -18.542
flat angles C4'-P-C4' energy: -20.406
flat angles P-C4'-P energy: -17.408
tors. eta vs tors. theta energy: -4.147
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -415.932429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.932429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.332429 (E_RNA)
where:
Base-Base interactions energy: -251.371
where: short stacking energy: -97.377
Base-Backbone interact. energy: -0.640
local terms energy: -115.321736
where:
bonds (distance) C4'-P energy: -22.669
bonds (distance) P-C4' energy: -26.201
flat angles C4'-P-C4' energy: -22.492
flat angles P-C4'-P energy: -15.087
tors. eta vs tors. theta energy: -28.872
Dist. restrs. and SS energy: -48.600 (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: 10
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -409.253770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.253770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.853770 (E_RNA)
where:
Base-Base interactions energy: -250.393
where: short stacking energy: -93.919
Base-Backbone interact. energy: -1.725
local terms energy: -106.735080
where:
bonds (distance) C4'-P energy: -21.448
bonds (distance) P-C4' energy: -23.211
flat angles C4'-P-C4' energy: -20.332
flat angles P-C4'-P energy: -12.900
tors. eta vs tors. theta energy: -28.844
Dist. restrs. and SS energy: -50.400 (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: 3
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -389.665703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.665703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.865703 (E_RNA)
where:
Base-Base interactions energy: -240.998
where: short stacking energy: -97.095
Base-Backbone interact. energy: -0.948
local terms energy: -100.919792
where:
bonds (distance) C4'-P energy: -17.767
bonds (distance) P-C4' energy: -21.959
flat angles C4'-P-C4' energy: -18.645
flat angles P-C4'-P energy: -14.625
tors. eta vs tors. theta energy: -27.923
Dist. restrs. and SS energy: -46.800 (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: 8
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -403.821536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.821536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.221536 (E_RNA)
where:
Base-Base interactions energy: -242.168
where: short stacking energy: -96.681
Base-Backbone interact. energy: -1.128
local terms energy: -111.925665
where:
bonds (distance) C4'-P energy: -20.148
bonds (distance) P-C4' energy: -23.065
flat angles C4'-P-C4' energy: -24.330
flat angles P-C4'-P energy: -13.209
tors. eta vs tors. theta energy: -31.174
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -311.183691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.183691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.183691 (E_RNA)
where:
Base-Base interactions energy: -173.681
where: short stacking energy: -88.554
Base-Backbone interact. energy: 0.910
local terms energy: -102.413052
where:
bonds (distance) C4'-P energy: -23.715
bonds (distance) P-C4' energy: -22.772
flat angles C4'-P-C4' energy: -24.868
flat angles P-C4'-P energy: -11.243
tors. eta vs tors. theta energy: -19.814
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -289.056146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.056146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.056146 (E_RNA)
where:
Base-Base interactions energy: -153.592
where: short stacking energy: -65.606
Base-Backbone interact. energy: -0.390
local terms energy: -99.074002
where:
bonds (distance) C4'-P energy: -21.112
bonds (distance) P-C4' energy: -25.280
flat angles C4'-P-C4' energy: -22.350
flat angles P-C4'-P energy: -14.501
tors. eta vs tors. theta energy: -15.830
Dist. restrs. and SS energy: -36.000 (S_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: 136
Temperature: 1.200000
Total energy: -259.847879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.847879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.847879 (E_RNA)
where:
Base-Base interactions energy: -139.119
where: short stacking energy: -66.987
Base-Backbone interact. energy: -0.264
local terms energy: -84.465452
where:
bonds (distance) C4'-P energy: -15.399
bonds (distance) P-C4' energy: -24.349
flat angles C4'-P-C4' energy: -20.701
flat angles P-C4'-P energy: -8.514
tors. eta vs tors. theta energy: -15.503
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -276.907470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.907470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.907470 (E_RNA)
where:
Base-Base interactions energy: -149.310
where: short stacking energy: -61.437
Base-Backbone interact. energy: -0.086
local terms energy: -91.512210
where:
bonds (distance) C4'-P energy: -22.910
bonds (distance) P-C4' energy: -16.878
flat angles C4'-P-C4' energy: -21.574
flat angles P-C4'-P energy: -14.267
tors. eta vs tors. theta energy: -15.883
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -260.795067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.795067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.795067 (E_RNA)
where:
Base-Base interactions energy: -145.661
where: short stacking energy: -75.956
Base-Backbone interact. energy: -0.174
local terms energy: -78.960730
where:
bonds (distance) C4'-P energy: -18.483
bonds (distance) P-C4' energy: -16.144
flat angles C4'-P-C4' energy: -13.081
flat angles P-C4'-P energy: -17.017
tors. eta vs tors. theta energy: -14.236
Dist. restrs. and SS energy: -36.000 (S_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: 136
Temperature: 1.350000
Total energy: -245.326827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.326827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.126827 (E_RNA)
where:
Base-Base interactions energy: -132.274
where: short stacking energy: -57.364
Base-Backbone interact. energy: 1.085
local terms energy: -79.938019
where:
bonds (distance) C4'-P energy: -17.131
bonds (distance) P-C4' energy: -17.766
flat angles C4'-P-C4' energy: -24.188
flat angles P-C4'-P energy: -13.641
tors. eta vs tors. theta energy: -7.212
Dist. restrs. and SS energy: -34.200 (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: 5
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -416.645119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.645119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.245119 (E_RNA)
where:
Base-Base interactions energy: -252.424
where: short stacking energy: -102.470
Base-Backbone interact. energy: 0.161
local terms energy: -113.982159
where:
bonds (distance) C4'-P energy: -21.741
bonds (distance) P-C4' energy: -25.530
flat angles C4'-P-C4' energy: -25.225
flat angles P-C4'-P energy: -14.927
tors. eta vs tors. theta energy: -26.559
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -396.418696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.418696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.618696 (E_RNA)
where:
Base-Base interactions energy: -240.851
where: short stacking energy: -85.530
Base-Backbone interact. energy: -0.687
local terms energy: -108.080273
where:
bonds (distance) C4'-P energy: -23.106
bonds (distance) P-C4' energy: -17.186
flat angles C4'-P-C4' energy: -23.135
flat angles P-C4'-P energy: -18.457
tors. eta vs tors. theta energy: -26.196
Dist. restrs. and SS energy: -46.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -403.529740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.529740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.129740 (E_RNA)
where:
Base-Base interactions energy: -238.594
where: short stacking energy: -100.155
Base-Backbone interact. energy: -0.811
local terms energy: -113.724681
where:
bonds (distance) C4'-P energy: -22.343
bonds (distance) P-C4' energy: -23.312
flat angles C4'-P-C4' energy: -23.066
flat angles P-C4'-P energy: -15.582
tors. eta vs tors. theta energy: -29.422
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -400.857785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.857785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.457785 (E_RNA)
where:
Base-Base interactions energy: -234.658
where: short stacking energy: -101.191
Base-Backbone interact. energy: -0.245
local terms energy: -115.554069
where:
bonds (distance) C4'-P energy: -24.122
bonds (distance) P-C4' energy: -22.036
flat angles C4'-P-C4' energy: -24.525
flat angles P-C4'-P energy: -15.285
tors. eta vs tors. theta energy: -29.587
Dist. restrs. and SS energy: -50.400 (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: 4
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -288.046639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.046639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.046639 (E_RNA)
where:
Base-Base interactions energy: -150.231
where: short stacking energy: -69.852
Base-Backbone interact. energy: -0.529
local terms energy: -101.286875
where:
bonds (distance) C4'-P energy: -24.784
bonds (distance) P-C4' energy: -26.198
flat angles C4'-P-C4' energy: -17.877
flat angles P-C4'-P energy: -18.059
tors. eta vs tors. theta energy: -14.369
Dist. restrs. and SS energy: -36.000 (S_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: 137
Temperature: 1.150000
Total energy: -296.139562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.139562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.139562 (E_RNA)
where:
Base-Base interactions energy: -156.137
where: short stacking energy: -73.313
Base-Backbone interact. energy: 0.859
local terms energy: -104.860773
where:
bonds (distance) C4'-P energy: -22.404
bonds (distance) P-C4' energy: -25.558
flat angles C4'-P-C4' energy: -24.188
flat angles P-C4'-P energy: -18.954
tors. eta vs tors. theta energy: -13.757
Dist. restrs. and SS energy: -36.000 (S_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: 137
Temperature: 1.200000
Total energy: -292.943118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.943118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.943118 (E_RNA)
where:
Base-Base interactions energy: -162.295
where: short stacking energy: -72.149
Base-Backbone interact. energy: -0.241
local terms energy: -94.406404
where:
bonds (distance) C4'-P energy: -19.755
bonds (distance) P-C4' energy: -22.410
flat angles C4'-P-C4' energy: -21.999
flat angles P-C4'-P energy: -16.599
tors. eta vs tors. theta energy: -13.645
Dist. restrs. and SS energy: -36.000 (S_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: 137
Temperature: 1.250000
Total energy: -290.341237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.341237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.341237 (E_RNA)
where:
Base-Base interactions energy: -167.019
where: short stacking energy: -67.562
Base-Backbone interact. energy: -0.847
local terms energy: -86.475065
where:
bonds (distance) C4'-P energy: -6.342
bonds (distance) P-C4' energy: -24.884
flat angles C4'-P-C4' energy: -21.874
flat angles P-C4'-P energy: -15.101
tors. eta vs tors. theta energy: -18.275
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -269.967137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.967137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.767137 (E_RNA)
where:
Base-Base interactions energy: -150.325
where: short stacking energy: -56.436
Base-Backbone interact. energy: -0.392
local terms energy: -85.050568
where:
bonds (distance) C4'-P energy: -21.030
bonds (distance) P-C4' energy: -21.320
flat angles C4'-P-C4' energy: -18.145
flat angles P-C4'-P energy: -8.159
tors. eta vs tors. theta energy: -16.396
Dist. restrs. and SS energy: -34.200 (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: 6
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -256.004954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.004954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.004954 (E_RNA)
where:
Base-Base interactions energy: -137.027
where: short stacking energy: -57.547
Base-Backbone interact. energy: -0.078
local terms energy: -82.900623
where:
bonds (distance) C4'-P energy: -22.721
bonds (distance) P-C4' energy: -22.369
flat angles C4'-P-C4' energy: -19.196
flat angles P-C4'-P energy: -9.811
tors. eta vs tors. theta energy: -8.803
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -417.385601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.385601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.985601 (E_RNA)
where:
Base-Base interactions energy: -265.156
where: short stacking energy: -98.050
Base-Backbone interact. energy: -0.584
local terms energy: -101.245215
where:
bonds (distance) C4'-P energy: -21.707
bonds (distance) P-C4' energy: -20.584
flat angles C4'-P-C4' energy: -22.896
flat angles P-C4'-P energy: -11.008
tors. eta vs tors. theta energy: -25.051
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -408.934589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.934589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.134589 (E_RNA)
where:
Base-Base interactions energy: -255.709
where: short stacking energy: -94.777
Base-Backbone interact. energy: -1.265
local terms energy: -105.160611
where:
bonds (distance) C4'-P energy: -17.890
bonds (distance) P-C4' energy: -19.146
flat angles C4'-P-C4' energy: -21.690
flat angles P-C4'-P energy: -17.116
tors. eta vs tors. theta energy: -29.319
Dist. restrs. and SS energy: -46.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -406.415886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.415886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.015886 (E_RNA)
where:
Base-Base interactions energy: -237.256
where: short stacking energy: -96.351
Base-Backbone interact. energy: -0.925
local terms energy: -117.835483
where:
bonds (distance) C4'-P energy: -20.507
bonds (distance) P-C4' energy: -22.927
flat angles C4'-P-C4' energy: -25.944
flat angles P-C4'-P energy: -20.776
tors. eta vs tors. theta energy: -27.682
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -389.877591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.877591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.477591 (E_RNA)
where:
Base-Base interactions energy: -240.831
where: short stacking energy: -94.015
Base-Backbone interact. energy: -1.386
local terms energy: -97.260110
where:
bonds (distance) C4'-P energy: -17.394
bonds (distance) P-C4' energy: -14.871
flat angles C4'-P-C4' energy: -19.387
flat angles P-C4'-P energy: -16.213
tors. eta vs tors. theta energy: -29.395
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -278.166400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.166400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.166400 (E_RNA)
where:
Base-Base interactions energy: -154.870
where: short stacking energy: -75.964
Base-Backbone interact. energy: -1.093
local terms energy: -86.203130
where:
bonds (distance) C4'-P energy: -24.609
bonds (distance) P-C4' energy: -16.432
flat angles C4'-P-C4' energy: -17.916
flat angles P-C4'-P energy: -15.798
tors. eta vs tors. theta energy: -11.448
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -331.233363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.233363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.233363 (E_RNA)
where:
Base-Base interactions energy: -186.930
where: short stacking energy: -92.975
Base-Backbone interact. energy: -0.214
local terms energy: -108.089352
where:
bonds (distance) C4'-P energy: -17.238
bonds (distance) P-C4' energy: -21.960
flat angles C4'-P-C4' energy: -23.103
flat angles P-C4'-P energy: -16.964
tors. eta vs tors. theta energy: -28.824
Dist. restrs. and SS energy: -36.000 (S_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: 138
Temperature: 1.200000
Total energy: -281.664475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.664475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.664475 (E_RNA)
where:
Base-Base interactions energy: -160.282
where: short stacking energy: -71.740
Base-Backbone interact. energy: -0.348
local terms energy: -85.033766
where:
bonds (distance) C4'-P energy: -18.760
bonds (distance) P-C4' energy: -16.925
flat angles C4'-P-C4' energy: -20.138
flat angles P-C4'-P energy: -13.716
tors. eta vs tors. theta energy: -15.494
Dist. restrs. and SS energy: -36.000 (S_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: 138
Temperature: 1.250000
Total energy: -281.729209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.729209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.729209 (E_RNA)
where:
Base-Base interactions energy: -157.321
where: short stacking energy: -71.741
Base-Backbone interact. energy: -0.161
local terms energy: -88.246780
where:
bonds (distance) C4'-P energy: -19.376
bonds (distance) P-C4' energy: -20.344
flat angles C4'-P-C4' energy: -22.832
flat angles P-C4'-P energy: -13.079
tors. eta vs tors. theta energy: -12.615
Dist. restrs. and SS energy: -36.000 (S_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: 138
Temperature: 1.300000
Total energy: -289.861466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.861466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.661466 (E_RNA)
where:
Base-Base interactions energy: -159.852
where: short stacking energy: -76.830
Base-Backbone interact. energy: -0.238
local terms energy: -95.571325
where:
bonds (distance) C4'-P energy: -22.545
bonds (distance) P-C4' energy: -12.659
flat angles C4'-P-C4' energy: -25.506
flat angles P-C4'-P energy: -17.048
tors. eta vs tors. theta energy: -17.813
Dist. restrs. and SS energy: -34.200 (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: 9
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -256.852492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.852492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.252492 (E_RNA)
where:
Base-Base interactions energy: -141.834
where: short stacking energy: -49.370
Base-Backbone interact. energy: 0.277
local terms energy: -84.695903
where:
bonds (distance) C4'-P energy: -21.063
bonds (distance) P-C4' energy: -23.037
flat angles C4'-P-C4' energy: -15.996
flat angles P-C4'-P energy: -14.885
tors. eta vs tors. theta energy: -9.714
Dist. restrs. and SS energy: -30.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -419.898479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.898479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.498479 (E_RNA)
where:
Base-Base interactions energy: -256.736
where: short stacking energy: -104.255
Base-Backbone interact. energy: -0.507
local terms energy: -112.255523
where:
bonds (distance) C4'-P energy: -22.429
bonds (distance) P-C4' energy: -24.921
flat angles C4'-P-C4' energy: -25.363
flat angles P-C4'-P energy: -9.855
tors. eta vs tors. theta energy: -29.687
Dist. restrs. and SS energy: -50.400 (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: 139
Temperature: 0.950000
Total energy: -414.286168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.286168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.886168 (E_RNA)
where:
Base-Base interactions energy: -257.884
where: short stacking energy: -102.681
Base-Backbone interact. energy: 1.804
local terms energy: -107.805733
where:
bonds (distance) C4'-P energy: -23.528
bonds (distance) P-C4' energy: -23.301
flat angles C4'-P-C4' energy: -19.544
flat angles P-C4'-P energy: -14.335
tors. eta vs tors. theta energy: -27.097
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -398.672153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.672153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.272153 (E_RNA)
where:
Base-Base interactions energy: -238.964
where: short stacking energy: -86.791
Base-Backbone interact. energy: -1.087
local terms energy: -108.220928
where:
bonds (distance) C4'-P energy: -19.932
bonds (distance) P-C4' energy: -25.188
flat angles C4'-P-C4' energy: -18.185
flat angles P-C4'-P energy: -15.227
tors. eta vs tors. theta energy: -29.689
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -395.751673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.751673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.351673 (E_RNA)
where:
Base-Base interactions energy: -230.094
where: short stacking energy: -85.962
Base-Backbone interact. energy: 0.396
local terms energy: -115.653559
where:
bonds (distance) C4'-P energy: -21.884
bonds (distance) P-C4' energy: -22.621
flat angles C4'-P-C4' energy: -27.349
flat angles P-C4'-P energy: -17.800
tors. eta vs tors. theta energy: -25.999
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -294.649921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.649921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.649921 (E_RNA)
where:
Base-Base interactions energy: -170.277
where: short stacking energy: -68.803
Base-Backbone interact. energy: -0.359
local terms energy: -88.014559
where:
bonds (distance) C4'-P energy: -15.850
bonds (distance) P-C4' energy: -21.101
flat angles C4'-P-C4' energy: -21.097
flat angles P-C4'-P energy: -16.936
tors. eta vs tors. theta energy: -13.031
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -331.698230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.698230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.698230 (E_RNA)
where:
Base-Base interactions energy: -194.794
where: short stacking energy: -84.258
Base-Backbone interact. energy: -0.323
local terms energy: -100.580901
where:
bonds (distance) C4'-P energy: -17.891
bonds (distance) P-C4' energy: -24.845
flat angles C4'-P-C4' energy: -25.157
flat angles P-C4'-P energy: -15.346
tors. eta vs tors. theta energy: -17.342
Dist. restrs. and SS energy: -36.000 (S_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: 139
Temperature: 1.200000
Total energy: -275.752620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.752620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.752620 (E_RNA)
where:
Base-Base interactions energy: -153.974
where: short stacking energy: -62.631
Base-Backbone interact. energy: -0.823
local terms energy: -84.956076
where:
bonds (distance) C4'-P energy: -16.623
bonds (distance) P-C4' energy: -23.946
flat angles C4'-P-C4' energy: -17.652
flat angles P-C4'-P energy: -13.569
tors. eta vs tors. theta energy: -13.166
Dist. restrs. and SS energy: -36.000 (S_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: 139
Temperature: 1.250000
Total energy: -293.788604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.788604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.788604 (E_RNA)
where:
Base-Base interactions energy: -170.584
where: short stacking energy: -74.133
Base-Backbone interact. energy: 0.373
local terms energy: -87.578216
where:
bonds (distance) C4'-P energy: -13.533
bonds (distance) P-C4' energy: -20.689
flat angles C4'-P-C4' energy: -17.641
flat angles P-C4'-P energy: -12.780
tors. eta vs tors. theta energy: -22.934
Dist. restrs. and SS energy: -36.000 (S_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: 139
Temperature: 1.300000
Total energy: -274.486367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.486367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.486367 (E_RNA)
where:
Base-Base interactions energy: -150.302
where: short stacking energy: -73.045
Base-Backbone interact. energy: -0.278
local terms energy: -87.905862
where:
bonds (distance) C4'-P energy: -16.206
bonds (distance) P-C4' energy: -19.780
flat angles C4'-P-C4' energy: -22.498
flat angles P-C4'-P energy: -10.946
tors. eta vs tors. theta energy: -18.476
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -270.295963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.295963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.295963 (E_RNA)
where:
Base-Base interactions energy: -150.165
where: short stacking energy: -72.192
Base-Backbone interact. energy: -0.448
local terms energy: -83.683306
where:
bonds (distance) C4'-P energy: -14.869
bonds (distance) P-C4' energy: -19.912
flat angles C4'-P-C4' energy: -18.630
flat angles P-C4'-P energy: -14.747
tors. eta vs tors. theta energy: -15.526
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -413.576257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.576257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.176257 (E_RNA)
where:
Base-Base interactions energy: -264.062
where: short stacking energy: -94.839
Base-Backbone interact. energy: -0.652
local terms energy: -98.462049
where:
bonds (distance) C4'-P energy: -20.518
bonds (distance) P-C4' energy: -21.082
flat angles C4'-P-C4' energy: -20.519
flat angles P-C4'-P energy: -11.301
tors. eta vs tors. theta energy: -25.042
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -413.258564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.258564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.858564 (E_RNA)
where:
Base-Base interactions energy: -260.460
where: short stacking energy: -102.392
Base-Backbone interact. energy: 0.197
local terms energy: -102.595450
where:
bonds (distance) C4'-P energy: -14.269
bonds (distance) P-C4' energy: -22.582
flat angles C4'-P-C4' energy: -23.368
flat angles P-C4'-P energy: -13.088
tors. eta vs tors. theta energy: -29.289
Dist. restrs. and SS energy: -50.400 (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: 140
Temperature: 1.000000
Total energy: -411.750510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.750510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.350510 (E_RNA)
where:
Base-Base interactions energy: -249.328
where: short stacking energy: -103.106
Base-Backbone interact. energy: -1.135
local terms energy: -110.887325
where:
bonds (distance) C4'-P energy: -18.132
bonds (distance) P-C4' energy: -22.738
flat angles C4'-P-C4' energy: -25.446
flat angles P-C4'-P energy: -14.433
tors. eta vs tors. theta energy: -30.138
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -387.555240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.555240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.155240 (E_RNA)
where:
Base-Base interactions energy: -236.142
where: short stacking energy: -77.599
Base-Backbone interact. energy: 0.203
local terms energy: -101.216619
where:
bonds (distance) C4'-P energy: -14.865
bonds (distance) P-C4' energy: -22.299
flat angles C4'-P-C4' energy: -23.589
flat angles P-C4'-P energy: -15.068
tors. eta vs tors. theta energy: -25.396
Dist. restrs. and SS energy: -50.400 (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: 4
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -327.726486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.726486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.726486 (E_RNA)
where:
Base-Base interactions energy: -207.257
where: short stacking energy: -87.230
Base-Backbone interact. energy: -0.500
local terms energy: -83.969774
where:
bonds (distance) C4'-P energy: -14.210
bonds (distance) P-C4' energy: -19.024
flat angles C4'-P-C4' energy: -21.190
flat angles P-C4'-P energy: -7.167
tors. eta vs tors. theta energy: -22.379
Dist. restrs. and SS energy: -36.000 (S_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: -277.364310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.364310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.164310 (E_RNA)
where:
Base-Base interactions energy: -148.232
where: short stacking energy: -73.313
Base-Backbone interact. energy: -1.046
local terms energy: -93.886409
where:
bonds (distance) C4'-P energy: -20.486
bonds (distance) P-C4' energy: -24.409
flat angles C4'-P-C4' energy: -25.329
flat angles P-C4'-P energy: -9.807
tors. eta vs tors. theta energy: -13.855
Dist. restrs. and SS energy: -34.200 (S_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: 140
Temperature: 1.200000
Total energy: -275.213731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.213731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.213731 (E_RNA)
where:
Base-Base interactions energy: -151.693
where: short stacking energy: -62.852
Base-Backbone interact. energy: 0.137
local terms energy: -87.658032
where:
bonds (distance) C4'-P energy: -22.578
bonds (distance) P-C4' energy: -17.187
flat angles C4'-P-C4' energy: -17.121
flat angles P-C4'-P energy: -13.390
tors. eta vs tors. theta energy: -17.382
Dist. restrs. and SS energy: -36.000 (S_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: 140
Temperature: 1.250000
Total energy: -256.689770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.689770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.689770 (E_RNA)
where:
Base-Base interactions energy: -142.262
where: short stacking energy: -60.525
Base-Backbone interact. energy: -0.304
local terms energy: -78.123822
where:
bonds (distance) C4'-P energy: -17.142
bonds (distance) P-C4' energy: -13.599
flat angles C4'-P-C4' energy: -22.252
flat angles P-C4'-P energy: -13.982
tors. eta vs tors. theta energy: -11.149
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -278.321438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.321438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.321438 (E_RNA)
where:
Base-Base interactions energy: -152.779
where: short stacking energy: -74.325
Base-Backbone interact. energy: -0.585
local terms energy: -88.957274
where:
bonds (distance) C4'-P energy: -21.158
bonds (distance) P-C4' energy: -21.222
flat angles C4'-P-C4' energy: -19.617
flat angles P-C4'-P energy: -13.859
tors. eta vs tors. theta energy: -13.101
Dist. restrs. and SS energy: -36.000 (S_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: 140
Temperature: 1.350000
Total energy: -267.153261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.153261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.153261 (E_RNA)
where:
Base-Base interactions energy: -146.954
where: short stacking energy: -62.677
Base-Backbone interact. energy: 0.779
local terms energy: -84.978296
where:
bonds (distance) C4'-P energy: -15.090
bonds (distance) P-C4' energy: -22.487
flat angles C4'-P-C4' energy: -17.545
flat angles P-C4'-P energy: -15.604
tors. eta vs tors. theta energy: -14.252
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -412.423912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.423912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.023912 (E_RNA)
where:
Base-Base interactions energy: -247.845
where: short stacking energy: -97.015
Base-Backbone interact. energy: -0.640
local terms energy: -113.538496
where:
bonds (distance) C4'-P energy: -19.909
bonds (distance) P-C4' energy: -25.473
flat angles C4'-P-C4' energy: -22.343
flat angles P-C4'-P energy: -17.563
tors. eta vs tors. theta energy: -28.251
Dist. restrs. and SS energy: -50.400 (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: 8
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -405.217264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.217264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.817264 (E_RNA)
where:
Base-Base interactions energy: -247.312
where: short stacking energy: -92.666
Base-Backbone interact. energy: -1.257
local terms energy: -106.248929
where:
bonds (distance) C4'-P energy: -20.288
bonds (distance) P-C4' energy: -19.770
flat angles C4'-P-C4' energy: -21.653
flat angles P-C4'-P energy: -17.746
tors. eta vs tors. theta energy: -26.793
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -411.848510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.848510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.448510 (E_RNA)
where:
Base-Base interactions energy: -248.216
where: short stacking energy: -103.482
Base-Backbone interact. energy: -0.832
local terms energy: -112.400140
where:
bonds (distance) C4'-P energy: -22.466
bonds (distance) P-C4' energy: -19.637
flat angles C4'-P-C4' energy: -24.896
flat angles P-C4'-P energy: -16.845
tors. eta vs tors. theta energy: -28.557
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -342.926721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.926721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.926721 (E_RNA)
where:
Base-Base interactions energy: -214.294
where: short stacking energy: -78.859
Base-Backbone interact. energy: -0.396
local terms energy: -92.237154
where:
bonds (distance) C4'-P energy: -17.358
bonds (distance) P-C4' energy: -21.963
flat angles C4'-P-C4' energy: -21.062
flat angles P-C4'-P energy: -8.033
tors. eta vs tors. theta energy: -23.822
Dist. restrs. and SS energy: -36.000 (S_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: 141
Temperature: 1.100000
Total energy: -399.332791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.332791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.732791 (E_RNA)
where:
Base-Base interactions energy: -258.239
where: short stacking energy: -96.374
Base-Backbone interact. energy: -0.379
local terms energy: -92.114941
where:
bonds (distance) C4'-P energy: -20.370
bonds (distance) P-C4' energy: -18.986
flat angles C4'-P-C4' energy: -19.944
flat angles P-C4'-P energy: -3.807
tors. eta vs tors. theta energy: -29.009
Dist. restrs. and SS energy: -48.600 (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: 2
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -282.333785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.333785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.333785 (E_RNA)
where:
Base-Base interactions energy: -160.159
where: short stacking energy: -71.168
Base-Backbone interact. energy: -0.705
local terms energy: -85.469595
where:
bonds (distance) C4'-P energy: -19.557
bonds (distance) P-C4' energy: -18.206
flat angles C4'-P-C4' energy: -20.013
flat angles P-C4'-P energy: -12.755
tors. eta vs tors. theta energy: -14.938
Dist. restrs. and SS energy: -36.000 (S_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: -259.996417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.996417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.796417 (E_RNA)
where:
Base-Base interactions energy: -145.363
where: short stacking energy: -52.919
Base-Backbone interact. energy: -0.031
local terms energy: -80.401775
where:
bonds (distance) C4'-P energy: -21.560
bonds (distance) P-C4' energy: -16.508
flat angles C4'-P-C4' energy: -15.965
flat angles P-C4'-P energy: -16.314
tors. eta vs tors. theta energy: -10.054
Dist. restrs. and SS energy: -34.200 (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: 9
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -273.958945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.958945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.958945 (E_RNA)
where:
Base-Base interactions energy: -149.428
where: short stacking energy: -73.116
Base-Backbone interact. energy: -0.016
local terms energy: -88.514775
where:
bonds (distance) C4'-P energy: -19.457
bonds (distance) P-C4' energy: -15.464
flat angles C4'-P-C4' energy: -21.137
flat angles P-C4'-P energy: -17.050
tors. eta vs tors. theta energy: -15.406
Dist. restrs. and SS energy: -36.000 (S_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: 141
Temperature: 1.300000
Total energy: -282.177717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.177717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.177717 (E_RNA)
where:
Base-Base interactions energy: -160.425
where: short stacking energy: -76.983
Base-Backbone interact. energy: -0.250
local terms energy: -85.502022
where:
bonds (distance) C4'-P energy: -18.778
bonds (distance) P-C4' energy: -20.133
flat angles C4'-P-C4' energy: -19.749
flat angles P-C4'-P energy: -11.488
tors. eta vs tors. theta energy: -15.354
Dist. restrs. and SS energy: -36.000 (S_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: 141
Temperature: 1.350000
Total energy: -256.358725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.358725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.358725 (E_RNA)
where:
Base-Base interactions energy: -157.245
where: short stacking energy: -66.483
Base-Backbone interact. energy: 5.102
local terms energy: -68.215457
where:
bonds (distance) C4'-P energy: -12.873
bonds (distance) P-C4' energy: -17.977
flat angles C4'-P-C4' energy: -14.781
flat angles P-C4'-P energy: -10.854
tors. eta vs tors. theta energy: -11.730
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -412.593932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.593932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.993932 (E_RNA)
where:
Base-Base interactions energy: -255.745
where: short stacking energy: -102.162
Base-Backbone interact. energy: -1.302
local terms energy: -106.947231
where:
bonds (distance) C4'-P energy: -23.681
bonds (distance) P-C4' energy: -21.613
flat angles C4'-P-C4' energy: -17.079
flat angles P-C4'-P energy: -16.355
tors. eta vs tors. theta energy: -28.218
Dist. restrs. and SS energy: -48.600 (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: 3
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -405.561664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.561664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.161664 (E_RNA)
where:
Base-Base interactions energy: -249.262
where: short stacking energy: -91.318
Base-Backbone interact. energy: -0.337
local terms energy: -105.563267
where:
bonds (distance) C4'-P energy: -16.683
bonds (distance) P-C4' energy: -20.847
flat angles C4'-P-C4' energy: -25.383
flat angles P-C4'-P energy: -15.557
tors. eta vs tors. theta energy: -27.095
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -406.052301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.052301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.652301 (E_RNA)
where:
Base-Base interactions energy: -240.726
where: short stacking energy: -94.791
Base-Backbone interact. energy: 0.504
local terms energy: -115.430254
where:
bonds (distance) C4'-P energy: -26.545
bonds (distance) P-C4' energy: -21.790
flat angles C4'-P-C4' energy: -22.219
flat angles P-C4'-P energy: -17.605
tors. eta vs tors. theta energy: -27.272
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -344.625023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.625023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.625023 (E_RNA)
where:
Base-Base interactions energy: -202.152
where: short stacking energy: -96.752
Base-Backbone interact. energy: -0.132
local terms energy: -106.341160
where:
bonds (distance) C4'-P energy: -19.218
bonds (distance) P-C4' energy: -22.231
flat angles C4'-P-C4' energy: -22.659
flat angles P-C4'-P energy: -17.564
tors. eta vs tors. theta energy: -24.670
Dist. restrs. and SS energy: -36.000 (S_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: 142
Temperature: 1.100000
Total energy: -395.729439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.729439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.329439 (E_RNA)
where:
Base-Base interactions energy: -234.955
where: short stacking energy: -90.025
Base-Backbone interact. energy: -1.167
local terms energy: -109.207157
where:
bonds (distance) C4'-P energy: -18.822
bonds (distance) P-C4' energy: -19.850
flat angles C4'-P-C4' energy: -24.280
flat angles P-C4'-P energy: -18.077
tors. eta vs tors. theta energy: -28.178
Dist. restrs. and SS energy: -50.400 (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: 142
Temperature: 1.150000
Total energy: -292.146537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.146537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.146537 (E_RNA)
where:
Base-Base interactions energy: -164.882
where: short stacking energy: -69.979
Base-Backbone interact. energy: -1.347
local terms energy: -89.917525
where:
bonds (distance) C4'-P energy: -22.561
bonds (distance) P-C4' energy: -19.655
flat angles C4'-P-C4' energy: -20.595
flat angles P-C4'-P energy: -10.511
tors. eta vs tors. theta energy: -16.594
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -289.006893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.006893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.006893 (E_RNA)
where:
Base-Base interactions energy: -167.173
where: short stacking energy: -72.412
Base-Backbone interact. energy: -0.822
local terms energy: -85.011096
where:
bonds (distance) C4'-P energy: -21.605
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -20.211
flat angles P-C4'-P energy: -12.473
tors. eta vs tors. theta energy: -14.343
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -257.338402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.338402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.938402 (E_RNA)
where:
Base-Base interactions energy: -134.780
where: short stacking energy: -68.848
Base-Backbone interact. energy: -0.144
local terms energy: -90.014217
where:
bonds (distance) C4'-P energy: -24.818
bonds (distance) P-C4' energy: -19.978
flat angles C4'-P-C4' energy: -21.422
flat angles P-C4'-P energy: -8.861
tors. eta vs tors. theta energy: -14.935
Dist. restrs. and SS energy: -32.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -267.076881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.076881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.676881 (E_RNA)
where:
Base-Base interactions energy: -160.828
where: short stacking energy: -72.633
Base-Backbone interact. energy: -0.493
local terms energy: -73.356082
where:
bonds (distance) C4'-P energy: -14.708
bonds (distance) P-C4' energy: -16.420
flat angles C4'-P-C4' energy: -13.441
flat angles P-C4'-P energy: -14.850
tors. eta vs tors. theta energy: -13.938
Dist. restrs. and SS energy: -32.400 (S_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: 142
Temperature: 1.350000
Total energy: -250.464330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.464330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.464330 (E_RNA)
where:
Base-Base interactions energy: -137.356
where: short stacking energy: -60.597
Base-Backbone interact. energy: -0.250
local terms energy: -76.858785
where:
bonds (distance) C4'-P energy: -20.170
bonds (distance) P-C4' energy: -16.261
flat angles C4'-P-C4' energy: -22.540
flat angles P-C4'-P energy: -9.664
tors. eta vs tors. theta energy: -8.225
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -422.613559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.613559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.213559 (E_RNA)
where:
Base-Base interactions energy: -264.715
where: short stacking energy: -107.953
Base-Backbone interact. energy: -1.162
local terms energy: -106.336439
where:
bonds (distance) C4'-P energy: -24.801
bonds (distance) P-C4' energy: -26.311
flat angles C4'-P-C4' energy: -18.404
flat angles P-C4'-P energy: -11.325
tors. eta vs tors. theta energy: -25.495
Dist. restrs. and SS energy: -50.400 (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: 143
Temperature: 0.950000
Total energy: -409.855022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.855022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.255022 (E_RNA)
where:
Base-Base interactions energy: -249.048
where: short stacking energy: -104.915
Base-Backbone interact. energy: -0.461
local terms energy: -111.745718
where:
bonds (distance) C4'-P energy: -23.150
bonds (distance) P-C4' energy: -21.174
flat angles C4'-P-C4' energy: -21.495
flat angles P-C4'-P energy: -15.852
tors. eta vs tors. theta energy: -30.074
Dist. restrs. and SS energy: -48.600 (S_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: 143
Temperature: 1.000000
Total energy: -405.782173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.782173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.382173 (E_RNA)
where:
Base-Base interactions energy: -253.049
where: short stacking energy: -94.577
Base-Backbone interact. energy: -0.850
local terms energy: -101.482728
where:
bonds (distance) C4'-P energy: -18.923
bonds (distance) P-C4' energy: -17.966
flat angles C4'-P-C4' energy: -21.838
flat angles P-C4'-P energy: -14.245
tors. eta vs tors. theta energy: -28.511
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -397.281192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.281192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.881192 (E_RNA)
where:
Base-Base interactions energy: -241.052
where: short stacking energy: -99.838
Base-Backbone interact. energy: -0.799
local terms energy: -105.029922
where:
bonds (distance) C4'-P energy: -16.700
bonds (distance) P-C4' energy: -24.906
flat angles C4'-P-C4' energy: -18.926
flat angles P-C4'-P energy: -14.580
tors. eta vs tors. theta energy: -29.919
Dist. restrs. and SS energy: -50.400 (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: 4
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -320.071044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.071044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.071044 (E_RNA)
where:
Base-Base interactions energy: -177.838
where: short stacking energy: -85.685
Base-Backbone interact. energy: -0.232
local terms energy: -106.001393
where:
bonds (distance) C4'-P energy: -18.865
bonds (distance) P-C4' energy: -23.734
flat angles C4'-P-C4' energy: -25.839
flat angles P-C4'-P energy: -15.448
tors. eta vs tors. theta energy: -22.115
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -270.783015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.783015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.583015 (E_RNA)
where:
Base-Base interactions energy: -153.107
where: short stacking energy: -69.873
Base-Backbone interact. energy: -0.206
local terms energy: -83.270230
where:
bonds (distance) C4'-P energy: -14.049
bonds (distance) P-C4' energy: -23.482
flat angles C4'-P-C4' energy: -23.011
flat angles P-C4'-P energy: -14.812
tors. eta vs tors. theta energy: -7.916
Dist. restrs. and SS energy: -34.200 (S_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: 143
Temperature: 1.200000
Total energy: -299.960096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.960096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.960096 (E_RNA)
where:
Base-Base interactions energy: -167.469
where: short stacking energy: -82.250
Base-Backbone interact. energy: -0.350
local terms energy: -96.141053
where:
bonds (distance) C4'-P energy: -21.278
bonds (distance) P-C4' energy: -23.605
flat angles C4'-P-C4' energy: -18.197
flat angles P-C4'-P energy: -15.007
tors. eta vs tors. theta energy: -18.054
Dist. restrs. and SS energy: -36.000 (S_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: 143
Temperature: 1.250000
Total energy: -269.957812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.957812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.757812 (E_RNA)
where:
Base-Base interactions energy: -149.049
where: short stacking energy: -69.398
Base-Backbone interact. energy: -0.233
local terms energy: -86.476374
where:
bonds (distance) C4'-P energy: -15.160
bonds (distance) P-C4' energy: -19.375
flat angles C4'-P-C4' energy: -22.034
flat angles P-C4'-P energy: -15.005
tors. eta vs tors. theta energy: -14.902
Dist. restrs. and SS energy: -34.200 (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: 7
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -267.293318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.293318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.093318 (E_RNA)
where:
Base-Base interactions energy: -147.253
where: short stacking energy: -59.949
Base-Backbone interact. energy: -0.376
local terms energy: -85.465120
where:
bonds (distance) C4'-P energy: -24.403
bonds (distance) P-C4' energy: -18.167
flat angles C4'-P-C4' energy: -21.289
flat angles P-C4'-P energy: -10.162
tors. eta vs tors. theta energy: -11.444
Dist. restrs. and SS energy: -34.200 (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: 6
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -242.223173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.223173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.223173 (E_RNA)
where:
Base-Base interactions energy: -126.992
where: short stacking energy: -57.226
Base-Backbone interact. energy: -0.147
local terms energy: -79.084323
where:
bonds (distance) C4'-P energy: -21.950
bonds (distance) P-C4' energy: -16.990
flat angles C4'-P-C4' energy: -18.340
flat angles P-C4'-P energy: -12.969
tors. eta vs tors. theta energy: -8.835
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -420.101347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.101347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.701347 (E_RNA)
where:
Base-Base interactions energy: -263.021
where: short stacking energy: -100.946
Base-Backbone interact. energy: -0.008
local terms energy: -106.671737
where:
bonds (distance) C4'-P energy: -21.332
bonds (distance) P-C4' energy: -20.998
flat angles C4'-P-C4' energy: -24.688
flat angles P-C4'-P energy: -12.252
tors. eta vs tors. theta energy: -27.402
Dist. restrs. and SS energy: -50.400 (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: 144
Temperature: 0.950000
Total energy: -413.758482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.758482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.358482 (E_RNA)
where:
Base-Base interactions energy: -256.706
where: short stacking energy: -97.841
Base-Backbone interact. energy: -0.630
local terms energy: -106.023138
where:
bonds (distance) C4'-P energy: -15.786
bonds (distance) P-C4' energy: -20.749
flat angles C4'-P-C4' energy: -24.008
flat angles P-C4'-P energy: -15.429
tors. eta vs tors. theta energy: -30.051
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -404.094626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.094626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.694626 (E_RNA)
where:
Base-Base interactions energy: -250.476
where: short stacking energy: -87.692
Base-Backbone interact. energy: -0.938
local terms energy: -102.279830
where:
bonds (distance) C4'-P energy: -20.376
bonds (distance) P-C4' energy: -19.920
flat angles C4'-P-C4' energy: -19.996
flat angles P-C4'-P energy: -15.606
tors. eta vs tors. theta energy: -26.382
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -398.334311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.334311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.934311 (E_RNA)
where:
Base-Base interactions energy: -233.071
where: short stacking energy: -95.085
Base-Backbone interact. energy: -0.626
local terms energy: -114.236915
where:
bonds (distance) C4'-P energy: -23.182
bonds (distance) P-C4' energy: -25.444
flat angles C4'-P-C4' energy: -18.259
flat angles P-C4'-P energy: -17.215
tors. eta vs tors. theta energy: -30.137
Dist. restrs. and SS energy: -50.400 (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: 9
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -309.219970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.219970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.219970 (E_RNA)
where:
Base-Base interactions energy: -167.996
where: short stacking energy: -73.831
Base-Backbone interact. energy: -0.292
local terms energy: -104.932534
where:
bonds (distance) C4'-P energy: -25.046
bonds (distance) P-C4' energy: -22.634
flat angles C4'-P-C4' energy: -21.043
flat angles P-C4'-P energy: -16.611
tors. eta vs tors. theta energy: -19.598
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -313.025962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.025962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.025962 (E_RNA)
where:
Base-Base interactions energy: -183.520
where: short stacking energy: -81.887
Base-Backbone interact. energy: -0.113
local terms energy: -93.392641
where:
bonds (distance) C4'-P energy: -15.440
bonds (distance) P-C4' energy: -21.051
flat angles C4'-P-C4' energy: -22.205
flat angles P-C4'-P energy: -16.866
tors. eta vs tors. theta energy: -17.830
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -289.014978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.014978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.014978 (E_RNA)
where:
Base-Base interactions energy: -163.542
where: short stacking energy: -72.452
Base-Backbone interact. energy: -0.775
local terms energy: -88.698755
where:
bonds (distance) C4'-P energy: -20.826
bonds (distance) P-C4' energy: -17.088
flat angles C4'-P-C4' energy: -20.417
flat angles P-C4'-P energy: -13.541
tors. eta vs tors. theta energy: -16.826
Dist. restrs. and SS energy: -36.000 (S_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: 144
Temperature: 1.250000
Total energy: -258.914673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.914673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.714673 (E_RNA)
where:
Base-Base interactions energy: -135.946
where: short stacking energy: -68.582
Base-Backbone interact. energy: -0.073
local terms energy: -88.695409
where:
bonds (distance) C4'-P energy: -17.630
bonds (distance) P-C4' energy: -27.667
flat angles C4'-P-C4' energy: -19.772
flat angles P-C4'-P energy: -15.596
tors. eta vs tors. theta energy: -8.030
Dist. restrs. and SS energy: -34.200 (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: 6
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -250.975129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.975129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.775129 (E_RNA)
where:
Base-Base interactions energy: -142.029
where: short stacking energy: -53.063
Base-Backbone interact. energy: -0.448
local terms energy: -74.298166
where:
bonds (distance) C4'-P energy: -21.949
bonds (distance) P-C4' energy: -17.680
flat angles C4'-P-C4' energy: -19.312
flat angles P-C4'-P energy: -5.531
tors. eta vs tors. theta energy: -9.827
Dist. restrs. and SS energy: -34.200 (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: 144
Temperature: 1.350000
Total energy: -256.146156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.146156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.146156 (E_RNA)
where:
Base-Base interactions energy: -142.199
where: short stacking energy: -53.345
Base-Backbone interact. energy: -1.093
local terms energy: -76.853978
where:
bonds (distance) C4'-P energy: -19.473
bonds (distance) P-C4' energy: -19.929
flat angles C4'-P-C4' energy: -16.399
flat angles P-C4'-P energy: -16.156
tors. eta vs tors. theta energy: -4.896
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -417.336010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.336010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.936010 (E_RNA)
where:
Base-Base interactions energy: -251.895
where: short stacking energy: -80.143
Base-Backbone interact. energy: -1.953
local terms energy: -113.088734
where:
bonds (distance) C4'-P energy: -21.105
bonds (distance) P-C4' energy: -27.721
flat angles C4'-P-C4' energy: -21.348
flat angles P-C4'-P energy: -15.472
tors. eta vs tors. theta energy: -27.442
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -399.454462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.454462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.054462 (E_RNA)
where:
Base-Base interactions energy: -235.246
where: short stacking energy: -102.417
Base-Backbone interact. energy: -0.500
local terms energy: -113.308587
where:
bonds (distance) C4'-P energy: -20.614
bonds (distance) P-C4' energy: -24.187
flat angles C4'-P-C4' energy: -24.938
flat angles P-C4'-P energy: -15.076
tors. eta vs tors. theta energy: -28.494
Dist. restrs. and SS energy: -50.400 (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: 3
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -399.210318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.210318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.810318 (E_RNA)
where:
Base-Base interactions energy: -250.165
where: short stacking energy: -106.369
Base-Backbone interact. energy: -0.619
local terms energy: -98.026303
where:
bonds (distance) C4'-P energy: -21.005
bonds (distance) P-C4' energy: -12.439
flat angles C4'-P-C4' energy: -19.938
flat angles P-C4'-P energy: -14.531
tors. eta vs tors. theta energy: -30.113
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -393.499474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.499474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.099474 (E_RNA)
where:
Base-Base interactions energy: -243.449
where: short stacking energy: -99.107
Base-Backbone interact. energy: -1.733
local terms energy: -97.917823
where:
bonds (distance) C4'-P energy: -19.548
bonds (distance) P-C4' energy: -20.891
flat angles C4'-P-C4' energy: -16.713
flat angles P-C4'-P energy: -13.300
tors. eta vs tors. theta energy: -27.466
Dist. restrs. and SS energy: -50.400 (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: 9
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -302.836578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.836578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.836578 (E_RNA)
where:
Base-Base interactions energy: -167.795
where: short stacking energy: -86.065
Base-Backbone interact. energy: -0.732
local terms energy: -98.309797
where:
bonds (distance) C4'-P energy: -18.233
bonds (distance) P-C4' energy: -24.511
flat angles C4'-P-C4' energy: -19.495
flat angles P-C4'-P energy: -12.562
tors. eta vs tors. theta energy: -23.509
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -284.009292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.009292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.009292 (E_RNA)
where:
Base-Base interactions energy: -169.587
where: short stacking energy: -78.602
Base-Backbone interact. energy: -0.062
local terms energy: -78.360640
where:
bonds (distance) C4'-P energy: -18.151
bonds (distance) P-C4' energy: -18.971
flat angles C4'-P-C4' energy: -11.894
flat angles P-C4'-P energy: -9.624
tors. eta vs tors. theta energy: -19.721
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -299.031462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.031462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.831462 (E_RNA)
where:
Base-Base interactions energy: -167.906
where: short stacking energy: -68.864
Base-Backbone interact. energy: -0.116
local terms energy: -96.809409
where:
bonds (distance) C4'-P energy: -18.786
bonds (distance) P-C4' energy: -21.652
flat angles C4'-P-C4' energy: -24.017
flat angles P-C4'-P energy: -15.516
tors. eta vs tors. theta energy: -16.838
Dist. restrs. and SS energy: -34.200 (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: 6
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -250.204600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.204600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.004600 (E_RNA)
where:
Base-Base interactions energy: -128.400
where: short stacking energy: -55.859
Base-Backbone interact. energy: -0.057
local terms energy: -87.547606
where:
bonds (distance) C4'-P energy: -24.975
bonds (distance) P-C4' energy: -18.087
flat angles C4'-P-C4' energy: -18.867
flat angles P-C4'-P energy: -15.709
tors. eta vs tors. theta energy: -9.910
Dist. restrs. and SS energy: -34.200 (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: 1
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -244.045133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.045133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.845133 (E_RNA)
where:
Base-Base interactions energy: -127.796
where: short stacking energy: -61.762
Base-Backbone interact. energy: -0.277
local terms energy: -81.772198
where:
bonds (distance) C4'-P energy: -16.229
bonds (distance) P-C4' energy: -18.040
flat angles C4'-P-C4' energy: -19.134
flat angles P-C4'-P energy: -10.841
tors. eta vs tors. theta energy: -17.529
Dist. restrs. and SS energy: -34.200 (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: 145
Temperature: 1.350000
Total energy: -271.892232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.892232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.892232 (E_RNA)
where:
Base-Base interactions energy: -161.489
where: short stacking energy: -85.161
Base-Backbone interact. energy: -0.830
local terms energy: -73.572929
where:
bonds (distance) C4'-P energy: -14.211
bonds (distance) P-C4' energy: -20.052
flat angles C4'-P-C4' energy: -15.485
flat angles P-C4'-P energy: -5.029
tors. eta vs tors. theta energy: -18.796
Dist. restrs. and SS energy: -36.000 (S_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: 146
Temperature: 0.900000
Total energy: -423.024774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.024774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.624774 (E_RNA)
where:
Base-Base interactions energy: -261.749
where: short stacking energy: -108.693
Base-Backbone interact. energy: -0.973
local terms energy: -109.902890
where:
bonds (distance) C4'-P energy: -22.302
bonds (distance) P-C4' energy: -20.059
flat angles C4'-P-C4' energy: -25.096
flat angles P-C4'-P energy: -14.905
tors. eta vs tors. theta energy: -27.540
Dist. restrs. and SS energy: -50.400 (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: 8
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -420.767268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.767268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.367268 (E_RNA)
where:
Base-Base interactions energy: -263.086
where: short stacking energy: -111.980
Base-Backbone interact. energy: -0.406
local terms energy: -106.874996
where:
bonds (distance) C4'-P energy: -19.825
bonds (distance) P-C4' energy: -18.339
flat angles C4'-P-C4' energy: -23.898
flat angles P-C4'-P energy: -17.560
tors. eta vs tors. theta energy: -27.253
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -400.539517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.539517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.739517 (E_RNA)
where:
Base-Base interactions energy: -242.649
where: short stacking energy: -90.530
Base-Backbone interact. energy: 1.028
local terms energy: -112.118505
where:
bonds (distance) C4'-P energy: -25.439
bonds (distance) P-C4' energy: -22.965
flat angles C4'-P-C4' energy: -21.379
flat angles P-C4'-P energy: -15.527
tors. eta vs tors. theta energy: -26.808
Dist. restrs. and SS energy: -46.800 (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: 3
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -400.289287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.289287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.689287 (E_RNA)
where:
Base-Base interactions energy: -240.099
where: short stacking energy: -94.158
Base-Backbone interact. energy: -0.562
local terms energy: -111.028165
where:
bonds (distance) C4'-P energy: -22.107
bonds (distance) P-C4' energy: -16.680
flat angles C4'-P-C4' energy: -23.511
flat angles P-C4'-P energy: -20.919
tors. eta vs tors. theta energy: -27.810
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -291.139585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.139585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.739585 (E_RNA)
where:
Base-Base interactions energy: -168.712
where: short stacking energy: -77.067
Base-Backbone interact. energy: -0.025
local terms energy: -90.002145
where:
bonds (distance) C4'-P energy: -16.473
bonds (distance) P-C4' energy: -23.648
flat angles C4'-P-C4' energy: -19.466
flat angles P-C4'-P energy: -8.212
tors. eta vs tors. theta energy: -22.203
Dist. restrs. and SS energy: -32.400 (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: 9
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -295.738350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.738350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.738350 (E_RNA)
where:
Base-Base interactions energy: -170.399
where: short stacking energy: -79.009
Base-Backbone interact. energy: -0.236
local terms energy: -89.103921
where:
bonds (distance) C4'-P energy: -16.584
bonds (distance) P-C4' energy: -23.265
flat angles C4'-P-C4' energy: -17.263
flat angles P-C4'-P energy: -12.523
tors. eta vs tors. theta energy: -19.469
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -263.674120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.674120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.474120 (E_RNA)
where:
Base-Base interactions energy: -144.076
where: short stacking energy: -57.948
Base-Backbone interact. energy: -0.360
local terms energy: -85.038009
where:
bonds (distance) C4'-P energy: -22.160
bonds (distance) P-C4' energy: -21.791
flat angles C4'-P-C4' energy: -18.613
flat angles P-C4'-P energy: -17.556
tors. eta vs tors. theta energy: -4.918
Dist. restrs. and SS energy: -34.200 (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: 6
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -268.216576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.216576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.216576 (E_RNA)
where:
Base-Base interactions energy: -146.419
where: short stacking energy: -66.126
Base-Backbone interact. energy: -1.771
local terms energy: -84.026116
where:
bonds (distance) C4'-P energy: -16.397
bonds (distance) P-C4' energy: -26.230
flat angles C4'-P-C4' energy: -13.568
flat angles P-C4'-P energy: -15.862
tors. eta vs tors. theta energy: -11.970
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -274.031930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.031930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.031930 (E_RNA)
where:
Base-Base interactions energy: -151.335
where: short stacking energy: -61.696
Base-Backbone interact. energy: -0.278
local terms energy: -86.419708
where:
bonds (distance) C4'-P energy: -25.020
bonds (distance) P-C4' energy: -14.268
flat angles C4'-P-C4' energy: -15.680
flat angles P-C4'-P energy: -14.973
tors. eta vs tors. theta energy: -16.478
Dist. restrs. and SS energy: -36.000 (S_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: 146
Temperature: 1.350000
Total energy: -252.963141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.963141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.763141 (E_RNA)
where:
Base-Base interactions energy: -135.180
where: short stacking energy: -58.320
Base-Backbone interact. energy: -0.021
local terms energy: -83.561986
where:
bonds (distance) C4'-P energy: -19.224
bonds (distance) P-C4' energy: -19.521
flat angles C4'-P-C4' energy: -18.307
flat angles P-C4'-P energy: -12.997
tors. eta vs tors. theta energy: -13.513
Dist. restrs. and SS energy: -34.200 (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: 10
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -416.011950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.011950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.611950 (E_RNA)
where:
Base-Base interactions energy: -256.913
where: short stacking energy: -103.015
Base-Backbone interact. energy: -0.661
local terms energy: -108.038866
where:
bonds (distance) C4'-P energy: -16.917
bonds (distance) P-C4' energy: -19.731
flat angles C4'-P-C4' energy: -26.113
flat angles P-C4'-P energy: -16.453
tors. eta vs tors. theta energy: -28.825
Dist. restrs. and SS energy: -50.400 (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: 8
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -407.720547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.720547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.320547 (E_RNA)
where:
Base-Base interactions energy: -246.671
where: short stacking energy: -100.243
Base-Backbone interact. energy: -1.076
local terms energy: -109.572701
where:
bonds (distance) C4'-P energy: -18.103
bonds (distance) P-C4' energy: -22.026
flat angles C4'-P-C4' energy: -23.805
flat angles P-C4'-P energy: -17.428
tors. eta vs tors. theta energy: -28.211
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -398.343546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.343546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.943546 (E_RNA)
where:
Base-Base interactions energy: -239.807
where: short stacking energy: -100.285
Base-Backbone interact. energy: -0.453
local terms energy: -107.682874
where:
bonds (distance) C4'-P energy: -22.387
bonds (distance) P-C4' energy: -19.421
flat angles C4'-P-C4' energy: -21.369
flat angles P-C4'-P energy: -15.730
tors. eta vs tors. theta energy: -28.776
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -384.674096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.674096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.274096 (E_RNA)
where:
Base-Base interactions energy: -235.946
where: short stacking energy: -82.059
Base-Backbone interact. energy: -0.431
local terms energy: -97.897188
where:
bonds (distance) C4'-P energy: -13.695
bonds (distance) P-C4' energy: -23.120
flat angles C4'-P-C4' energy: -22.080
flat angles P-C4'-P energy: -16.332
tors. eta vs tors. theta energy: -22.670
Dist. restrs. and SS energy: -50.400 (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: 147
Temperature: 1.100000
Total energy: -314.498603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.498603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.498603 (E_RNA)
where:
Base-Base interactions energy: -183.130
where: short stacking energy: -83.832
Base-Backbone interact. energy: 0.753
local terms energy: -96.121214
where:
bonds (distance) C4'-P energy: -17.791
bonds (distance) P-C4' energy: -23.316
flat angles C4'-P-C4' energy: -23.107
flat angles P-C4'-P energy: -14.799
tors. eta vs tors. theta energy: -17.107
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -307.571724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.571724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.571724 (E_RNA)
where:
Base-Base interactions energy: -165.988
where: short stacking energy: -79.812
Base-Backbone interact. energy: -0.201
local terms energy: -105.382678
where:
bonds (distance) C4'-P energy: -20.832
bonds (distance) P-C4' energy: -23.461
flat angles C4'-P-C4' energy: -22.286
flat angles P-C4'-P energy: -16.077
tors. eta vs tors. theta energy: -22.727
Dist. restrs. and SS energy: -36.000 (S_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: 147
Temperature: 1.200000
Total energy: -312.409927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.409927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.409927 (E_RNA)
where:
Base-Base interactions energy: -172.795
where: short stacking energy: -87.101
Base-Backbone interact. energy: -0.073
local terms energy: -103.541713
where:
bonds (distance) C4'-P energy: -16.641
bonds (distance) P-C4' energy: -23.571
flat angles C4'-P-C4' energy: -25.613
flat angles P-C4'-P energy: -14.120
tors. eta vs tors. theta energy: -23.597
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -274.567637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.567637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.567637 (E_RNA)
where:
Base-Base interactions energy: -155.613
where: short stacking energy: -71.207
Base-Backbone interact. energy: -0.845
local terms energy: -82.109299
where:
bonds (distance) C4'-P energy: -19.115
bonds (distance) P-C4' energy: -15.969
flat angles C4'-P-C4' energy: -19.389
flat angles P-C4'-P energy: -14.599
tors. eta vs tors. theta energy: -13.037
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -259.980150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.980150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.980150 (E_RNA)
where:
Base-Base interactions energy: -143.593
where: short stacking energy: -64.272
Base-Backbone interact. energy: -0.309
local terms energy: -80.078483
where:
bonds (distance) C4'-P energy: -19.618
bonds (distance) P-C4' energy: -21.302
flat angles C4'-P-C4' energy: -19.379
flat angles P-C4'-P energy: -11.708
tors. eta vs tors. theta energy: -8.072
Dist. restrs. and SS energy: -36.000 (S_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: 147
Temperature: 1.350000
Total energy: -244.893759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.893759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.293759 (E_RNA)
where:
Base-Base interactions energy: -138.819
where: short stacking energy: -56.004
Base-Backbone interact. energy: 1.351
local terms energy: -76.825062
where:
bonds (distance) C4'-P energy: -21.237
bonds (distance) P-C4' energy: -23.308
flat angles C4'-P-C4' energy: -18.786
flat angles P-C4'-P energy: -3.574
tors. eta vs tors. theta energy: -9.920
Dist. restrs. and SS energy: -30.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -421.390909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.390909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.990909 (E_RNA)
where:
Base-Base interactions energy: -255.327
where: short stacking energy: -102.281
Base-Backbone interact. energy: 0.796
local terms energy: -116.460471
where:
bonds (distance) C4'-P energy: -24.880
bonds (distance) P-C4' energy: -24.162
flat angles C4'-P-C4' energy: -24.973
flat angles P-C4'-P energy: -14.554
tors. eta vs tors. theta energy: -27.890
Dist. restrs. and SS energy: -50.400 (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: 8
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -403.994049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.994049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.594049 (E_RNA)
where:
Base-Base interactions energy: -247.867
where: short stacking energy: -88.555
Base-Backbone interact. energy: -0.136
local terms energy: -105.591133
where:
bonds (distance) C4'-P energy: -22.445
bonds (distance) P-C4' energy: -26.121
flat angles C4'-P-C4' energy: -24.798
flat angles P-C4'-P energy: -6.466
tors. eta vs tors. theta energy: -25.761
Dist. restrs. and SS energy: -50.400 (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: 3
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -394.848009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.848009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.448009 (E_RNA)
where:
Base-Base interactions energy: -244.236
where: short stacking energy: -93.638
Base-Backbone interact. energy: 2.712
local terms energy: -102.924099
where:
bonds (distance) C4'-P energy: -19.656
bonds (distance) P-C4' energy: -20.133
flat angles C4'-P-C4' energy: -17.956
flat angles P-C4'-P energy: -17.279
tors. eta vs tors. theta energy: -27.900
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -398.947777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.947777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.547777 (E_RNA)
where:
Base-Base interactions energy: -241.683
where: short stacking energy: -86.865
Base-Backbone interact. energy: -0.467
local terms energy: -106.398112
where:
bonds (distance) C4'-P energy: -19.767
bonds (distance) P-C4' energy: -20.509
flat angles C4'-P-C4' energy: -25.201
flat angles P-C4'-P energy: -13.116
tors. eta vs tors. theta energy: -27.805
Dist. restrs. and SS energy: -50.400 (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: 148
Temperature: 1.100000
Total energy: -305.062554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.062554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.862554 (E_RNA)
where:
Base-Base interactions energy: -174.868
where: short stacking energy: -85.619
Base-Backbone interact. energy: -0.032
local terms energy: -95.962442
where:
bonds (distance) C4'-P energy: -18.756
bonds (distance) P-C4' energy: -19.409
flat angles C4'-P-C4' energy: -22.464
flat angles P-C4'-P energy: -14.440
tors. eta vs tors. theta energy: -20.893
Dist. restrs. and SS energy: -34.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -299.478486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.478486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.478486 (E_RNA)
where:
Base-Base interactions energy: -177.559
where: short stacking energy: -83.986
Base-Backbone interact. energy: -0.138
local terms energy: -85.781759
where:
bonds (distance) C4'-P energy: -13.961
bonds (distance) P-C4' energy: -15.396
flat angles C4'-P-C4' energy: -20.919
flat angles P-C4'-P energy: -16.053
tors. eta vs tors. theta energy: -19.454
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -295.578646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.578646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.178646 (E_RNA)
where:
Base-Base interactions energy: -168.482
where: short stacking energy: -59.372
Base-Backbone interact. energy: 0.435
local terms energy: -77.131786
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -20.072
flat angles C4'-P-C4' energy: -20.495
flat angles P-C4'-P energy: -10.564
tors. eta vs tors. theta energy: -10.831
Dist. restrs. and SS energy: -50.400 (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: 9
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -267.717878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.717878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.717878 (E_RNA)
where:
Base-Base interactions energy: -141.035
where: short stacking energy: -70.409
Base-Backbone interact. energy: -0.156
local terms energy: -90.526197
where:
bonds (distance) C4'-P energy: -16.086
bonds (distance) P-C4' energy: -24.409
flat angles C4'-P-C4' energy: -19.771
flat angles P-C4'-P energy: -10.870
tors. eta vs tors. theta energy: -19.390
Dist. restrs. and SS energy: -36.000 (S_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: 148
Temperature: 1.300000
Total energy: -253.925861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.925861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.725861 (E_RNA)
where:
Base-Base interactions energy: -125.411
where: short stacking energy: -54.522
Base-Backbone interact. energy: -0.241
local terms energy: -94.074069
where:
bonds (distance) C4'-P energy: -23.079
bonds (distance) P-C4' energy: -21.979
flat angles C4'-P-C4' energy: -21.829
flat angles P-C4'-P energy: -16.680
tors. eta vs tors. theta energy: -10.509
Dist. restrs. and SS energy: -34.200 (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: 6
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -267.683797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.683797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.683797 (E_RNA)
where:
Base-Base interactions energy: -150.812
where: short stacking energy: -62.128
Base-Backbone interact. energy: -0.324
local terms energy: -80.548491
where:
bonds (distance) C4'-P energy: -22.364
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -20.407
flat angles P-C4'-P energy: -13.183
tors. eta vs tors. theta energy: -7.784
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -425.262996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.262996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.862996 (E_RNA)
where:
Base-Base interactions energy: -256.374
where: short stacking energy: -103.343
Base-Backbone interact. energy: -0.352
local terms energy: -118.136658
where:
bonds (distance) C4'-P energy: -24.642
bonds (distance) P-C4' energy: -20.106
flat angles C4'-P-C4' energy: -23.082
flat angles P-C4'-P energy: -20.831
tors. eta vs tors. theta energy: -29.476
Dist. restrs. and SS energy: -50.400 (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: 149
Temperature: 0.950000
Total energy: -401.984522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.984522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.184522 (E_RNA)
where:
Base-Base interactions energy: -252.452
where: short stacking energy: -86.538
Base-Backbone interact. energy: 0.477
local terms energy: -103.209870
where:
bonds (distance) C4'-P energy: -21.668
bonds (distance) P-C4' energy: -23.240
flat angles C4'-P-C4' energy: -20.254
flat angles P-C4'-P energy: -17.974
tors. eta vs tors. theta energy: -20.073
Dist. restrs. and SS energy: -46.800 (S_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: 149
Temperature: 1.000000
Total energy: -404.609350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.609350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.009350 (E_RNA)
where:
Base-Base interactions energy: -247.660
where: short stacking energy: -96.737
Base-Backbone interact. energy: -2.207
local terms energy: -106.142555
where:
bonds (distance) C4'-P energy: -21.265
bonds (distance) P-C4' energy: -22.493
flat angles C4'-P-C4' energy: -24.431
flat angles P-C4'-P energy: -12.804
tors. eta vs tors. theta energy: -25.150
Dist. restrs. and SS energy: -48.600 (S_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: 149
Temperature: 1.050000
Total energy: -392.479048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.479048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.079048 (E_RNA)
where:
Base-Base interactions energy: -239.465
where: short stacking energy: -98.385
Base-Backbone interact. energy: -0.389
local terms energy: -102.225583
where:
bonds (distance) C4'-P energy: -20.888
bonds (distance) P-C4' energy: -21.195
flat angles C4'-P-C4' energy: -18.466
flat angles P-C4'-P energy: -16.837
tors. eta vs tors. theta energy: -24.840
Dist. restrs. and SS energy: -50.400 (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: 149
Temperature: 1.100000
Total energy: -315.699056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.699056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.699056 (E_RNA)
where:
Base-Base interactions energy: -173.316
where: short stacking energy: -75.191
Base-Backbone interact. energy: -0.939
local terms energy: -105.443787
where:
bonds (distance) C4'-P energy: -22.967
bonds (distance) P-C4' energy: -25.244
flat angles C4'-P-C4' energy: -17.953
flat angles P-C4'-P energy: -15.844
tors. eta vs tors. theta energy: -23.436
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -300.256466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.256466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.256466 (E_RNA)
where:
Base-Base interactions energy: -168.882
where: short stacking energy: -88.627
Base-Backbone interact. energy: -0.057
local terms energy: -95.317970
where:
bonds (distance) C4'-P energy: -20.756
bonds (distance) P-C4' energy: -21.595
flat angles C4'-P-C4' energy: -23.424
flat angles P-C4'-P energy: -13.666
tors. eta vs tors. theta energy: -15.876
Dist. restrs. and SS energy: -36.000 (S_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: 149
Temperature: 1.200000
Total energy: -280.752664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.752664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.752664 (E_RNA)
where:
Base-Base interactions energy: -159.390
where: short stacking energy: -69.156
Base-Backbone interact. energy: -0.233
local terms energy: -85.129370
where:
bonds (distance) C4'-P energy: -18.138
bonds (distance) P-C4' energy: -24.383
flat angles C4'-P-C4' energy: -21.118
flat angles P-C4'-P energy: -12.491
tors. eta vs tors. theta energy: -8.999
Dist. restrs. and SS energy: -36.000 (S_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: 149
Temperature: 1.250000
Total energy: -257.083959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.083959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.083959 (E_RNA)
where:
Base-Base interactions energy: -142.579
where: short stacking energy: -60.758
Base-Backbone interact. energy: -0.660
local terms energy: -77.845114
where:
bonds (distance) C4'-P energy: -16.289
bonds (distance) P-C4' energy: -14.532
flat angles C4'-P-C4' energy: -21.678
flat angles P-C4'-P energy: -14.620
tors. eta vs tors. theta energy: -10.727
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -280.917679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.917679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.717679 (E_RNA)
where:
Base-Base interactions energy: -164.050
where: short stacking energy: -73.065
Base-Backbone interact. energy: -0.283
local terms energy: -82.384799
where:
bonds (distance) C4'-P energy: -19.296
bonds (distance) P-C4' energy: -19.688
flat angles C4'-P-C4' energy: -15.889
flat angles P-C4'-P energy: -6.704
tors. eta vs tors. theta energy: -20.809
Dist. restrs. and SS energy: -34.200 (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: 6
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -244.700284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.700284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.700284 (E_RNA)
where:
Base-Base interactions energy: -124.756
where: short stacking energy: -53.441
Base-Backbone interact. energy: -1.338
local terms energy: -82.606309
where:
bonds (distance) C4'-P energy: -16.102
bonds (distance) P-C4' energy: -22.739
flat angles C4'-P-C4' energy: -24.949
flat angles P-C4'-P energy: -9.581
tors. eta vs tors. theta energy: -9.235
Dist. restrs. and SS energy: -36.000 (S_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: 150
Temperature: 0.900000
Total energy: -405.811417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.811417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.411417 (E_RNA)
where:
Base-Base interactions energy: -245.284
where: short stacking energy: -102.848
Base-Backbone interact. energy: 1.145
local terms energy: -111.273211
where:
bonds (distance) C4'-P energy: -21.561
bonds (distance) P-C4' energy: -19.694
flat angles C4'-P-C4' energy: -21.734
flat angles P-C4'-P energy: -19.839
tors. eta vs tors. theta energy: -28.445
Dist. restrs. and SS energy: -50.400 (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: 150
Temperature: 0.950000
Total energy: -403.344504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.344504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.944504 (E_RNA)
where:
Base-Base interactions energy: -243.421
where: short stacking energy: -96.992
Base-Backbone interact. energy: -0.691
local terms energy: -108.832242
where:
bonds (distance) C4'-P energy: -21.279
bonds (distance) P-C4' energy: -24.692
flat angles C4'-P-C4' energy: -24.265
flat angles P-C4'-P energy: -15.838
tors. eta vs tors. theta energy: -22.759
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -380.915020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.915020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.515020 (E_RNA)
where:
Base-Base interactions energy: -223.391
where: short stacking energy: -91.788
Base-Backbone interact. energy: -0.798
local terms energy: -106.326218
where:
bonds (distance) C4'-P energy: -22.007
bonds (distance) P-C4' energy: -21.261
flat angles C4'-P-C4' energy: -20.907
flat angles P-C4'-P energy: -17.477
tors. eta vs tors. theta energy: -24.674
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -389.827452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.827452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.427452 (E_RNA)
where:
Base-Base interactions energy: -238.302
where: short stacking energy: -100.880
Base-Backbone interact. energy: -0.910
local terms energy: -100.215081
where:
bonds (distance) C4'-P energy: -15.848
bonds (distance) P-C4' energy: -16.484
flat angles C4'-P-C4' energy: -23.299
flat angles P-C4'-P energy: -19.816
tors. eta vs tors. theta energy: -24.769
Dist. restrs. and SS energy: -50.400 (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: 150
Temperature: 1.100000
Total energy: -309.267709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.267709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.267709 (E_RNA)
where:
Base-Base interactions energy: -180.273
where: short stacking energy: -69.562
Base-Backbone interact. energy: -1.851
local terms energy: -91.143940
where:
bonds (distance) C4'-P energy: -17.208
bonds (distance) P-C4' energy: -19.876
flat angles C4'-P-C4' energy: -21.814
flat angles P-C4'-P energy: -14.130
tors. eta vs tors. theta energy: -18.116
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -294.584357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.584357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.584357 (E_RNA)
where:
Base-Base interactions energy: -168.100
where: short stacking energy: -82.369
Base-Backbone interact. energy: -0.155
local terms energy: -90.329533
where:
bonds (distance) C4'-P energy: -11.639
bonds (distance) P-C4' energy: -24.231
flat angles C4'-P-C4' energy: -17.239
flat angles P-C4'-P energy: -15.957
tors. eta vs tors. theta energy: -21.263
Dist. restrs. and SS energy: -36.000 (S_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: 150
Temperature: 1.200000
Total energy: -292.538349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.538349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.338349 (E_RNA)
where:
Base-Base interactions energy: -160.167
where: short stacking energy: -81.884
Base-Backbone interact. energy: -0.175
local terms energy: -97.996174
where:
bonds (distance) C4'-P energy: -16.537
bonds (distance) P-C4' energy: -24.508
flat angles C4'-P-C4' energy: -19.429
flat angles P-C4'-P energy: -15.257
tors. eta vs tors. theta energy: -22.265
Dist. restrs. and SS energy: -34.200 (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: 7
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -298.242493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.242493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.242493 (E_RNA)
where:
Base-Base interactions energy: -170.047
where: short stacking energy: -79.013
Base-Backbone interact. energy: -0.489
local terms energy: -91.706063
where:
bonds (distance) C4'-P energy: -16.387
bonds (distance) P-C4' energy: -22.441
flat angles C4'-P-C4' energy: -17.756
flat angles P-C4'-P energy: -15.186
tors. eta vs tors. theta energy: -19.936
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -274.695841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.695841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.295841 (E_RNA)
where:
Base-Base interactions energy: -156.025
where: short stacking energy: -74.644
Base-Backbone interact. energy: 0.202
local terms energy: -86.472990
where:
bonds (distance) C4'-P energy: -19.976
bonds (distance) P-C4' energy: -18.938
flat angles C4'-P-C4' energy: -20.900
flat angles P-C4'-P energy: -12.587
tors. eta vs tors. theta energy: -14.073
Dist. restrs. and SS energy: -32.400 (S_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: 150
Temperature: 1.350000
Total energy: -256.493123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.493123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.293123 (E_RNA)
where:
Base-Base interactions energy: -130.276
where: short stacking energy: -55.460
Base-Backbone interact. energy: 0.419
local terms energy: -92.435922
where:
bonds (distance) C4'-P energy: -18.496
bonds (distance) P-C4' energy: -22.992
flat angles C4'-P-C4' energy: -20.301
flat angles P-C4'-P energy: -13.432
tors. eta vs tors. theta energy: -17.215
Dist. restrs. and SS energy: -34.200 (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: 10
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -418.744718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.744718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.344718 (E_RNA)
where:
Base-Base interactions energy: -256.247
where: short stacking energy: -105.192
Base-Backbone interact. energy: 0.142
local terms energy: -112.239600
where:
bonds (distance) C4'-P energy: -20.963
bonds (distance) P-C4' energy: -20.785
flat angles C4'-P-C4' energy: -20.828
flat angles P-C4'-P energy: -18.352
tors. eta vs tors. theta energy: -31.312
Dist. restrs. and SS energy: -50.400 (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: 151
Temperature: 0.950000
Total energy: -398.167639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.167639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.767639 (E_RNA)
where:
Base-Base interactions energy: -232.771
where: short stacking energy: -105.685
Base-Backbone interact. energy: -0.862
local terms energy: -114.134912
where:
bonds (distance) C4'-P energy: -25.678
bonds (distance) P-C4' energy: -18.076
flat angles C4'-P-C4' energy: -25.315
flat angles P-C4'-P energy: -16.670
tors. eta vs tors. theta energy: -28.396
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -374.459562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.459562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.059562 (E_RNA)
where:
Base-Base interactions energy: -214.047
where: short stacking energy: -84.455
Base-Backbone interact. energy: -2.887
local terms energy: -107.125093
where:
bonds (distance) C4'-P energy: -20.740
bonds (distance) P-C4' energy: -23.409
flat angles C4'-P-C4' energy: -26.635
flat angles P-C4'-P energy: -13.876
tors. eta vs tors. theta energy: -22.465
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -320.341493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.341493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.141493 (E_RNA)
where:
Base-Base interactions energy: -179.483
where: short stacking energy: -91.539
Base-Backbone interact. energy: -0.244
local terms energy: -106.414618
where:
bonds (distance) C4'-P energy: -20.913
bonds (distance) P-C4' energy: -21.651
flat angles C4'-P-C4' energy: -23.295
flat angles P-C4'-P energy: -14.355
tors. eta vs tors. theta energy: -26.200
Dist. restrs. and SS energy: -34.200 (S_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: 151
Temperature: 1.100000
Total energy: -390.524195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.524195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.124195 (E_RNA)
where:
Base-Base interactions energy: -242.077
where: short stacking energy: -92.611
Base-Backbone interact. energy: 1.301
local terms energy: -99.348754
where:
bonds (distance) C4'-P energy: -21.932
bonds (distance) P-C4' energy: -19.518
flat angles C4'-P-C4' energy: -15.730
flat angles P-C4'-P energy: -16.407
tors. eta vs tors. theta energy: -25.762
Dist. restrs. and SS energy: -50.400 (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: 4
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -290.231622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.231622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.231622 (E_RNA)
where:
Base-Base interactions energy: -157.361
where: short stacking energy: -65.013
Base-Backbone interact. energy: -0.103
local terms energy: -96.767367
where:
bonds (distance) C4'-P energy: -18.151
bonds (distance) P-C4' energy: -26.698
flat angles C4'-P-C4' energy: -19.894
flat angles P-C4'-P energy: -16.574
tors. eta vs tors. theta energy: -15.450
Dist. restrs. and SS energy: -36.000 (S_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: 151
Temperature: 1.200000
Total energy: -290.999073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.999073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.799073 (E_RNA)
where:
Base-Base interactions energy: -157.140
where: short stacking energy: -78.371
Base-Backbone interact. energy: -0.180
local terms energy: -99.478609
where:
bonds (distance) C4'-P energy: -21.537
bonds (distance) P-C4' energy: -23.875
flat angles C4'-P-C4' energy: -24.575
flat angles P-C4'-P energy: -11.262
tors. eta vs tors. theta energy: -18.228
Dist. restrs. and SS energy: -34.200 (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: 9
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -257.623646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.623646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.623646 (E_RNA)
where:
Base-Base interactions energy: -137.318
where: short stacking energy: -54.558
Base-Backbone interact. energy: -0.837
local terms energy: -83.469374
where:
bonds (distance) C4'-P energy: -21.778
bonds (distance) P-C4' energy: -23.210
flat angles C4'-P-C4' energy: -15.788
flat angles P-C4'-P energy: -11.267
tors. eta vs tors. theta energy: -11.427
Dist. restrs. and SS energy: -36.000 (S_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: 151
Temperature: 1.300000
Total energy: -269.641492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.641492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.441492 (E_RNA)
where:
Base-Base interactions energy: -144.574
where: short stacking energy: -61.619
Base-Backbone interact. energy: -0.041
local terms energy: -90.826833
where:
bonds (distance) C4'-P energy: -18.306
bonds (distance) P-C4' energy: -22.985
flat angles C4'-P-C4' energy: -21.516
flat angles P-C4'-P energy: -17.080
tors. eta vs tors. theta energy: -10.940
Dist. restrs. and SS energy: -34.200 (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: 6
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -276.173487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.173487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.173487 (E_RNA)
where:
Base-Base interactions energy: -145.652
where: short stacking energy: -69.292
Base-Backbone interact. energy: -0.309
local terms energy: -94.212608
where:
bonds (distance) C4'-P energy: -24.040
bonds (distance) P-C4' energy: -23.729
flat angles C4'-P-C4' energy: -23.246
flat angles P-C4'-P energy: -10.288
tors. eta vs tors. theta energy: -12.911
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -410.955665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.955665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.355665 (E_RNA)
where:
Base-Base interactions energy: -257.973
where: short stacking energy: -96.064
Base-Backbone interact. energy: -0.437
local terms energy: -103.945620
where:
bonds (distance) C4'-P energy: -17.338
bonds (distance) P-C4' energy: -20.946
flat angles C4'-P-C4' energy: -21.999
flat angles P-C4'-P energy: -15.062
tors. eta vs tors. theta energy: -28.600
Dist. restrs. and SS energy: -48.600 (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: 3
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -402.578590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.578590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.978590 (E_RNA)
where:
Base-Base interactions energy: -237.088
where: short stacking energy: -91.657
Base-Backbone interact. energy: -0.631
local terms energy: -116.260229
where:
bonds (distance) C4'-P energy: -20.649
bonds (distance) P-C4' energy: -24.713
flat angles C4'-P-C4' energy: -26.222
flat angles P-C4'-P energy: -16.291
tors. eta vs tors. theta energy: -28.385
Dist. restrs. and SS energy: -48.600 (S_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: 152
Temperature: 1.000000
Total energy: -351.539256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.539256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.139256 (E_RNA)
where:
Base-Base interactions energy: -195.811
where: short stacking energy: -78.646
Base-Backbone interact. energy: -0.066
local terms energy: -105.262517
where:
bonds (distance) C4'-P energy: -22.835
bonds (distance) P-C4' energy: -23.944
flat angles C4'-P-C4' energy: -19.635
flat angles P-C4'-P energy: -14.902
tors. eta vs tors. theta energy: -23.947
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -316.913865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.913865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.913865 (E_RNA)
where:
Base-Base interactions energy: -181.747
where: short stacking energy: -90.483
Base-Backbone interact. energy: -0.609
local terms energy: -98.557536
where:
bonds (distance) C4'-P energy: -23.035
bonds (distance) P-C4' energy: -19.442
flat angles C4'-P-C4' energy: -22.513
flat angles P-C4'-P energy: -14.692
tors. eta vs tors. theta energy: -18.876
Dist. restrs. and SS energy: -36.000 (S_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: 152
Temperature: 1.100000
Total energy: -385.213832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.213832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.813832 (E_RNA)
where:
Base-Base interactions energy: -222.617
where: short stacking energy: -76.832
Base-Backbone interact. energy: -0.793
local terms energy: -111.403425
where:
bonds (distance) C4'-P energy: -25.345
bonds (distance) P-C4' energy: -24.169
flat angles C4'-P-C4' energy: -18.718
flat angles P-C4'-P energy: -16.591
tors. eta vs tors. theta energy: -26.580
Dist. restrs. and SS energy: -50.400 (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: 4
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -313.830467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.830467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.830467 (E_RNA)
where:
Base-Base interactions energy: -183.562
where: short stacking energy: -96.785
Base-Backbone interact. energy: -0.218
local terms energy: -94.050978
where:
bonds (distance) C4'-P energy: -18.594
bonds (distance) P-C4' energy: -17.151
flat angles C4'-P-C4' energy: -26.134
flat angles P-C4'-P energy: -11.675
tors. eta vs tors. theta energy: -20.497
Dist. restrs. and SS energy: -36.000 (S_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: -299.946348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.946348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.746348 (E_RNA)
where:
Base-Base interactions energy: -181.074
where: short stacking energy: -75.247
Base-Backbone interact. energy: -0.121
local terms energy: -75.551544
where:
bonds (distance) C4'-P energy: -22.557
bonds (distance) P-C4' energy: -11.578
flat angles C4'-P-C4' energy: -22.010
flat angles P-C4'-P energy: -10.706
tors. eta vs tors. theta energy: -8.701
Dist. restrs. and SS energy: -43.200 (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: 9
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -261.163836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.163836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.963836 (E_RNA)
where:
Base-Base interactions energy: -144.627
where: short stacking energy: -62.161
Base-Backbone interact. energy: -0.237
local terms energy: -82.100219
where:
bonds (distance) C4'-P energy: -16.694
bonds (distance) P-C4' energy: -19.796
flat angles C4'-P-C4' energy: -22.031
flat angles P-C4'-P energy: -14.531
tors. eta vs tors. theta energy: -9.049
Dist. restrs. and SS energy: -34.200 (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: 6
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -258.765658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.765658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.765658 (E_RNA)
where:
Base-Base interactions energy: -140.857
where: short stacking energy: -62.554
Base-Backbone interact. energy: -0.305
local terms energy: -81.603329
where:
bonds (distance) C4'-P energy: -25.724
bonds (distance) P-C4' energy: -15.608
flat angles C4'-P-C4' energy: -17.188
flat angles P-C4'-P energy: -14.646
tors. eta vs tors. theta energy: -8.437
Dist. restrs. and SS energy: -36.000 (S_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: 152
Temperature: 1.350000
Total energy: -286.719241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.719241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.719241 (E_RNA)
where:
Base-Base interactions energy: -158.009
where: short stacking energy: -74.524
Base-Backbone interact. energy: -0.342
local terms energy: -92.368460
where:
bonds (distance) C4'-P energy: -20.637
bonds (distance) P-C4' energy: -23.244
flat angles C4'-P-C4' energy: -17.042
flat angles P-C4'-P energy: -12.955
tors. eta vs tors. theta energy: -18.491
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -412.862217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.862217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.462217 (E_RNA)
where:
Base-Base interactions energy: -244.427
where: short stacking energy: -101.153
Base-Backbone interact. energy: -0.843
local terms energy: -117.192026
where:
bonds (distance) C4'-P energy: -22.141
bonds (distance) P-C4' energy: -25.760
flat angles C4'-P-C4' energy: -21.591
flat angles P-C4'-P energy: -18.152
tors. eta vs tors. theta energy: -29.548
Dist. restrs. and SS energy: -50.400 (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: 153
Temperature: 0.950000
Total energy: -407.482078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.482078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.082078 (E_RNA)
where:
Base-Base interactions energy: -236.735
where: short stacking energy: -92.944
Base-Backbone interact. energy: -0.630
local terms energy: -119.717776
where:
bonds (distance) C4'-P energy: -24.862
bonds (distance) P-C4' energy: -28.147
flat angles C4'-P-C4' energy: -19.989
flat angles P-C4'-P energy: -17.545
tors. eta vs tors. theta energy: -29.175
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -366.484210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.484210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.084210 (E_RNA)
where:
Base-Base interactions energy: -215.268
where: short stacking energy: -87.433
Base-Backbone interact. energy: -1.023
local terms energy: -99.792733
where:
bonds (distance) C4'-P energy: -23.415
bonds (distance) P-C4' energy: -17.018
flat angles C4'-P-C4' energy: -18.964
flat angles P-C4'-P energy: -15.463
tors. eta vs tors. theta energy: -24.933
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -393.567213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.567213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.967213 (E_RNA)
where:
Base-Base interactions energy: -247.320
where: short stacking energy: -88.227
Base-Backbone interact. energy: -0.689
local terms energy: -96.957497
where:
bonds (distance) C4'-P energy: -21.328
bonds (distance) P-C4' energy: -13.860
flat angles C4'-P-C4' energy: -25.081
flat angles P-C4'-P energy: -14.390
tors. eta vs tors. theta energy: -22.299
Dist. restrs. and SS energy: -48.600 (S_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: -299.388257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.388257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.388257 (E_RNA)
where:
Base-Base interactions energy: -174.244
where: short stacking energy: -72.298
Base-Backbone interact. energy: -0.350
local terms energy: -88.793886
where:
bonds (distance) C4'-P energy: -20.277
bonds (distance) P-C4' energy: -23.897
flat angles C4'-P-C4' energy: -18.210
flat angles P-C4'-P energy: -11.244
tors. eta vs tors. theta energy: -15.166
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. 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: -316.148729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.148729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.748729 (E_RNA)
where:
Base-Base interactions energy: -192.954
where: short stacking energy: -72.558
Base-Backbone interact. energy: -0.569
local terms energy: -81.225532
where:
bonds (distance) C4'-P energy: -21.113
bonds (distance) P-C4' energy: -17.421
flat angles C4'-P-C4' energy: -20.801
flat angles P-C4'-P energy: -12.783
tors. eta vs tors. theta energy: -9.108
Dist. restrs. and SS energy: -41.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -303.719254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.719254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.719254 (E_RNA)
where:
Base-Base interactions energy: -173.825
where: short stacking energy: -74.912
Base-Backbone interact. energy: 0.105
local terms energy: -93.999530
where:
bonds (distance) C4'-P energy: -22.710
bonds (distance) P-C4' energy: -20.010
flat angles C4'-P-C4' energy: -17.008
flat angles P-C4'-P energy: -14.409
tors. eta vs tors. theta energy: -19.862
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -272.216485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.216485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.016485 (E_RNA)
where:
Base-Base interactions energy: -148.424
where: short stacking energy: -68.075
Base-Backbone interact. energy: -0.053
local terms energy: -89.539419
where:
bonds (distance) C4'-P energy: -19.048
bonds (distance) P-C4' energy: -26.582
flat angles C4'-P-C4' energy: -19.582
flat angles P-C4'-P energy: -11.686
tors. eta vs tors. theta energy: -12.641
Dist. restrs. and SS energy: -34.200 (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: 6
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -265.163518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.163518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.163518 (E_RNA)
where:
Base-Base interactions energy: -142.479
where: short stacking energy: -61.518
Base-Backbone interact. energy: -0.157
local terms energy: -86.527353
where:
bonds (distance) C4'-P energy: -17.177
bonds (distance) P-C4' energy: -15.535
flat angles C4'-P-C4' energy: -25.184
flat angles P-C4'-P energy: -15.636
tors. eta vs tors. theta energy: -12.995
Dist. restrs. and SS energy: -36.000 (S_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: 153
Temperature: 1.350000
Total energy: -276.762431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.762431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.362431 (E_RNA)
where:
Base-Base interactions energy: -152.594
where: short stacking energy: -67.815
Base-Backbone interact. energy: -0.082
local terms energy: -91.687081
where:
bonds (distance) C4'-P energy: -19.788
bonds (distance) P-C4' energy: -19.149
flat angles C4'-P-C4' energy: -18.009
flat angles P-C4'-P energy: -16.992
tors. eta vs tors. theta energy: -17.749
Dist. restrs. and SS energy: -32.400 (S_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: -412.706569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.706569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.306569 (E_RNA)
where:
Base-Base interactions energy: -248.919
where: short stacking energy: -92.465
Base-Backbone interact. energy: -0.349
local terms energy: -113.038258
where:
bonds (distance) C4'-P energy: -19.382
bonds (distance) P-C4' energy: -20.480
flat angles C4'-P-C4' energy: -27.084
flat angles P-C4'-P energy: -17.824
tors. eta vs tors. theta energy: -28.269
Dist. restrs. and SS energy: -50.400 (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: 154
Temperature: 0.950000
Total energy: -404.366643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.366643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.966643 (E_RNA)
where:
Base-Base interactions energy: -250.111
where: short stacking energy: -92.024
Base-Backbone interact. energy: -0.525
local terms energy: -103.330317
where:
bonds (distance) C4'-P energy: -17.602
bonds (distance) P-C4' energy: -17.517
flat angles C4'-P-C4' energy: -24.051
flat angles P-C4'-P energy: -19.288
tors. eta vs tors. theta energy: -24.872
Dist. restrs. and SS energy: -50.400 (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: 154
Temperature: 1.000000
Total energy: -399.065727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.065727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.665727 (E_RNA)
where:
Base-Base interactions energy: -245.256
where: short stacking energy: -89.777
Base-Backbone interact. energy: -1.038
local terms energy: -102.371826
where:
bonds (distance) C4'-P energy: -21.083
bonds (distance) P-C4' energy: -14.326
flat angles C4'-P-C4' energy: -23.899
flat angles P-C4'-P energy: -17.453
tors. eta vs tors. theta energy: -25.611
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -366.067690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.067690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.667690 (E_RNA)
where:
Base-Base interactions energy: -209.257
where: short stacking energy: -89.013
Base-Backbone interact. energy: -0.855
local terms energy: -105.555556
where:
bonds (distance) C4'-P energy: -24.285
bonds (distance) P-C4' energy: -23.690
flat angles C4'-P-C4' energy: -18.024
flat angles P-C4'-P energy: -16.775
tors. eta vs tors. theta energy: -22.782
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -336.077685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.077685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.077685 (E_RNA)
where:
Base-Base interactions energy: -188.024
where: short stacking energy: -76.654
Base-Backbone interact. energy: -0.468
local terms energy: -102.585502
where:
bonds (distance) C4'-P energy: -22.086
bonds (distance) P-C4' energy: -25.688
flat angles C4'-P-C4' energy: -22.218
flat angles P-C4'-P energy: -14.053
tors. eta vs tors. theta energy: -18.541
Dist. restrs. and SS energy: -45.000 (S_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: 154
Temperature: 1.150000
Total energy: -308.274077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.274077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.274077 (E_RNA)
where:
Base-Base interactions energy: -173.028
where: short stacking energy: -88.339
Base-Backbone interact. energy: -0.352
local terms energy: -98.894616
where:
bonds (distance) C4'-P energy: -20.139
bonds (distance) P-C4' energy: -20.141
flat angles C4'-P-C4' energy: -21.822
flat angles P-C4'-P energy: -11.691
tors. eta vs tors. theta energy: -25.103
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -310.119995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.119995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.119995 (E_RNA)
where:
Base-Base interactions energy: -180.485
where: short stacking energy: -87.453
Base-Backbone interact. energy: -0.078
local terms energy: -93.556986
where:
bonds (distance) C4'-P energy: -16.009
bonds (distance) P-C4' energy: -22.191
flat angles C4'-P-C4' energy: -20.611
flat angles P-C4'-P energy: -10.793
tors. eta vs tors. theta energy: -23.953
Dist. restrs. and SS energy: -36.000 (S_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: 154
Temperature: 1.250000
Total energy: -280.103949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.103949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.103949 (E_RNA)
where:
Base-Base interactions energy: -156.105
where: short stacking energy: -76.739
Base-Backbone interact. energy: -0.063
local terms energy: -87.935970
where:
bonds (distance) C4'-P energy: -11.221
bonds (distance) P-C4' energy: -17.159
flat angles C4'-P-C4' energy: -23.986
flat angles P-C4'-P energy: -13.833
tors. eta vs tors. theta energy: -21.737
Dist. restrs. and SS energy: -36.000 (S_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: 154
Temperature: 1.300000
Total energy: -256.005785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.005785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.005785 (E_RNA)
where:
Base-Base interactions energy: -124.616
where: short stacking energy: -55.999
Base-Backbone interact. energy: -0.225
local terms energy: -95.164248
where:
bonds (distance) C4'-P energy: -22.852
bonds (distance) P-C4' energy: -24.886
flat angles C4'-P-C4' energy: -25.729
flat angles P-C4'-P energy: -11.106
tors. eta vs tors. theta energy: -10.591
Dist. restrs. and SS energy: -36.000 (S_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: 154
Temperature: 1.350000
Total energy: -237.634170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.634170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.234170 (E_RNA)
where:
Base-Base interactions energy: -125.745
where: short stacking energy: -54.525
Base-Backbone interact. energy: -0.786
local terms energy: -78.703290
where:
bonds (distance) C4'-P energy: -20.297
bonds (distance) P-C4' energy: -17.814
flat angles C4'-P-C4' energy: -18.354
flat angles P-C4'-P energy: -14.598
tors. eta vs tors. theta energy: -7.640
Dist. restrs. and SS energy: -32.400 (S_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: -416.762353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.762353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.162353 (E_RNA)
where:
Base-Base interactions energy: -261.267
where: short stacking energy: -90.470
Base-Backbone interact. energy: -0.790
local terms energy: -106.105559
where:
bonds (distance) C4'-P energy: -25.861
bonds (distance) P-C4' energy: -20.857
flat angles C4'-P-C4' energy: -17.793
flat angles P-C4'-P energy: -15.026
tors. eta vs tors. theta energy: -26.569
Dist. restrs. and SS energy: -48.600 (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: 3
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -405.647168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.647168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.247168 (E_RNA)
where:
Base-Base interactions energy: -246.693
where: short stacking energy: -92.178
Base-Backbone interact. energy: -0.667
local terms energy: -107.887187
where:
bonds (distance) C4'-P energy: -23.892
bonds (distance) P-C4' energy: -21.487
flat angles C4'-P-C4' energy: -25.689
flat angles P-C4'-P energy: -11.446
tors. eta vs tors. theta energy: -25.374
Dist. restrs. and SS energy: -50.400 (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: 155
Temperature: 1.000000
Total energy: -389.411981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.411981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.811981 (E_RNA)
where:
Base-Base interactions energy: -230.909
where: short stacking energy: -88.509
Base-Backbone interact. energy: -0.654
local terms energy: -109.249064
where:
bonds (distance) C4'-P energy: -22.570
bonds (distance) P-C4' energy: -20.438
flat angles C4'-P-C4' energy: -24.242
flat angles P-C4'-P energy: -17.502
tors. eta vs tors. theta energy: -24.498
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -395.488738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.488738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.088738 (E_RNA)
where:
Base-Base interactions energy: -236.230
where: short stacking energy: -87.292
Base-Backbone interact. energy: -0.998
local terms energy: -107.861552
where:
bonds (distance) C4'-P energy: -20.477
bonds (distance) P-C4' energy: -26.900
flat angles C4'-P-C4' energy: -15.255
flat angles P-C4'-P energy: -17.613
tors. eta vs tors. theta energy: -27.617
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -347.043459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.043459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.643459 (E_RNA)
where:
Base-Base interactions energy: -196.734
where: short stacking energy: -79.537
Base-Backbone interact. energy: -0.255
local terms energy: -99.654936
where:
bonds (distance) C4'-P energy: -20.843
bonds (distance) P-C4' energy: -22.904
flat angles C4'-P-C4' energy: -18.812
flat angles P-C4'-P energy: -19.172
tors. eta vs tors. theta energy: -17.924
Dist. restrs. and SS energy: -50.400 (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: 4
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -300.917741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.917741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.717741 (E_RNA)
where:
Base-Base interactions energy: -163.504
where: short stacking energy: -76.612
Base-Backbone interact. energy: -0.553
local terms energy: -102.660984
where:
bonds (distance) C4'-P energy: -21.576
bonds (distance) P-C4' energy: -26.148
flat angles C4'-P-C4' energy: -24.214
flat angles P-C4'-P energy: -10.756
tors. eta vs tors. theta energy: -19.967
Dist. restrs. and SS energy: -34.200 (S_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: 155
Temperature: 1.200000
Total energy: -287.056069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.056069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.056069 (E_RNA)
where:
Base-Base interactions energy: -162.814
where: short stacking energy: -74.018
Base-Backbone interact. energy: -0.149
local terms energy: -88.092988
where:
bonds (distance) C4'-P energy: -18.007
bonds (distance) P-C4' energy: -15.428
flat angles C4'-P-C4' energy: -22.978
flat angles P-C4'-P energy: -13.866
tors. eta vs tors. theta energy: -17.814
Dist. restrs. and SS energy: -36.000 (S_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: 155
Temperature: 1.250000
Total energy: -255.167765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.167765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.167765 (E_RNA)
where:
Base-Base interactions energy: -128.582
where: short stacking energy: -52.652
Base-Backbone interact. energy: 0.566
local terms energy: -91.151851
where:
bonds (distance) C4'-P energy: -21.493
bonds (distance) P-C4' energy: -24.557
flat angles C4'-P-C4' energy: -22.463
flat angles P-C4'-P energy: -14.875
tors. eta vs tors. theta energy: -7.764
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -274.671652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.671652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.671652 (E_RNA)
where:
Base-Base interactions energy: -155.025
where: short stacking energy: -80.820
Base-Backbone interact. energy: -0.149
local terms energy: -83.497408
where:
bonds (distance) C4'-P energy: -18.183
bonds (distance) P-C4' energy: -18.227
flat angles C4'-P-C4' energy: -16.342
flat angles P-C4'-P energy: -15.441
tors. eta vs tors. theta energy: -15.304
Dist. restrs. and SS energy: -36.000 (S_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: 155
Temperature: 1.350000
Total energy: -239.670629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.670629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.670629 (E_RNA)
where:
Base-Base interactions energy: -124.104
where: short stacking energy: -57.060
Base-Backbone interact. energy: 0.158
local terms energy: -79.724451
where:
bonds (distance) C4'-P energy: -17.925
bonds (distance) P-C4' energy: -17.421
flat angles C4'-P-C4' energy: -18.373
flat angles P-C4'-P energy: -16.324
tors. eta vs tors. theta energy: -9.681
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -408.718069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.718069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.318069 (E_RNA)
where:
Base-Base interactions energy: -250.168
where: short stacking energy: -102.289
Base-Backbone interact. energy: -1.874
local terms energy: -106.276124
where:
bonds (distance) C4'-P energy: -21.515
bonds (distance) P-C4' energy: -18.300
flat angles C4'-P-C4' energy: -23.310
flat angles P-C4'-P energy: -14.181
tors. eta vs tors. theta energy: -28.969
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -401.196254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.196254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.396254 (E_RNA)
where:
Base-Base interactions energy: -248.360
where: short stacking energy: -103.379
Base-Backbone interact. energy: -0.336
local terms energy: -105.700622
where:
bonds (distance) C4'-P energy: -21.952
bonds (distance) P-C4' energy: -20.310
flat angles C4'-P-C4' energy: -20.546
flat angles P-C4'-P energy: -16.727
tors. eta vs tors. theta energy: -26.165
Dist. restrs. and SS energy: -46.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -403.325051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.325051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.925051 (E_RNA)
where:
Base-Base interactions energy: -248.535
where: short stacking energy: -97.433
Base-Backbone interact. energy: -1.135
local terms energy: -103.255476
where:
bonds (distance) C4'-P energy: -22.920
bonds (distance) P-C4' energy: -20.543
flat angles C4'-P-C4' energy: -24.791
flat angles P-C4'-P energy: -10.571
tors. eta vs tors. theta energy: -24.431
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -392.144547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.144547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.744547 (E_RNA)
where:
Base-Base interactions energy: -242.054
where: short stacking energy: -97.188
Base-Backbone interact. energy: 0.167
local terms energy: -99.857478
where:
bonds (distance) C4'-P energy: -18.007
bonds (distance) P-C4' energy: -19.781
flat angles C4'-P-C4' energy: -17.216
flat angles P-C4'-P energy: -16.262
tors. eta vs tors. theta energy: -28.592
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -353.217112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.217112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.817112 (E_RNA)
where:
Base-Base interactions energy: -211.147
where: short stacking energy: -84.423
Base-Backbone interact. energy: -1.300
local terms energy: -90.370211
where:
bonds (distance) C4'-P energy: -17.224
bonds (distance) P-C4' energy: -19.891
flat angles C4'-P-C4' energy: -17.840
flat angles P-C4'-P energy: -17.096
tors. eta vs tors. theta energy: -18.319
Dist. restrs. and SS energy: -50.400 (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: 4
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -292.025156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.025156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.025156 (E_RNA)
where:
Base-Base interactions energy: -164.299
where: short stacking energy: -69.002
Base-Backbone interact. energy: -0.662
local terms energy: -91.064194
where:
bonds (distance) C4'-P energy: -14.013
bonds (distance) P-C4' energy: -24.794
flat angles C4'-P-C4' energy: -20.000
flat angles P-C4'-P energy: -17.141
tors. eta vs tors. theta energy: -15.116
Dist. restrs. and SS energy: -36.000 (S_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: 156
Temperature: 1.200000
Total energy: -265.051825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.051825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.051825 (E_RNA)
where:
Base-Base interactions energy: -139.582
where: short stacking energy: -74.728
Base-Backbone interact. energy: -0.071
local terms energy: -89.399219
where:
bonds (distance) C4'-P energy: -22.913
bonds (distance) P-C4' energy: -18.767
flat angles C4'-P-C4' energy: -15.893
flat angles P-C4'-P energy: -15.800
tors. eta vs tors. theta energy: -16.026
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -295.933197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.933197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.733197 (E_RNA)
where:
Base-Base interactions energy: -164.952
where: short stacking energy: -71.852
Base-Backbone interact. energy: -0.109
local terms energy: -96.672855
where:
bonds (distance) C4'-P energy: -17.423
bonds (distance) P-C4' energy: -23.791
flat angles C4'-P-C4' energy: -22.388
flat angles P-C4'-P energy: -14.961
tors. eta vs tors. theta energy: -18.110
Dist. restrs. and SS energy: -34.200 (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: 9
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -273.980096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.980096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.780096 (E_RNA)
where:
Base-Base interactions energy: -147.005
where: short stacking energy: -68.326
Base-Backbone interact. energy: -0.022
local terms energy: -92.753305
where:
bonds (distance) C4'-P energy: -19.188
bonds (distance) P-C4' energy: -24.037
flat angles C4'-P-C4' energy: -19.045
flat angles P-C4'-P energy: -11.360
tors. eta vs tors. theta energy: -19.124
Dist. restrs. and SS energy: -34.200 (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: 6
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -267.102374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.102374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.902374 (E_RNA)
where:
Base-Base interactions energy: -145.285
where: short stacking energy: -60.636
Base-Backbone interact. energy: -0.023
local terms energy: -87.593983
where:
bonds (distance) C4'-P energy: -19.639
bonds (distance) P-C4' energy: -20.373
flat angles C4'-P-C4' energy: -17.443
flat angles P-C4'-P energy: -10.547
tors. eta vs tors. theta energy: -19.591
Dist. restrs. and SS energy: -34.200 (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: 3
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -419.298688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.298688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.898688 (E_RNA)
where:
Base-Base interactions energy: -257.317
where: short stacking energy: -105.952
Base-Backbone interact. energy: -1.408
local terms energy: -110.173752
where:
bonds (distance) C4'-P energy: -21.581
bonds (distance) P-C4' energy: -22.659
flat angles C4'-P-C4' energy: -20.646
flat angles P-C4'-P energy: -17.300
tors. eta vs tors. theta energy: -27.987
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -412.995550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.995550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.595550 (E_RNA)
where:
Base-Base interactions energy: -258.608
where: short stacking energy: -93.718
Base-Backbone interact. energy: -0.712
local terms energy: -103.275724
where:
bonds (distance) C4'-P energy: -22.782
bonds (distance) P-C4' energy: -20.727
flat angles C4'-P-C4' energy: -22.682
flat angles P-C4'-P energy: -14.445
tors. eta vs tors. theta energy: -22.640
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -402.692486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.692486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.092486 (E_RNA)
where:
Base-Base interactions energy: -247.603
where: short stacking energy: -104.003
Base-Backbone interact. energy: -0.682
local terms energy: -105.806965
where:
bonds (distance) C4'-P energy: -20.364
bonds (distance) P-C4' energy: -25.593
flat angles C4'-P-C4' energy: -15.521
flat angles P-C4'-P energy: -17.188
tors. eta vs tors. theta energy: -27.141
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -371.339937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.339937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.739937 (E_RNA)
where:
Base-Base interactions energy: -222.026
where: short stacking energy: -84.518
Base-Backbone interact. energy: -0.829
local terms energy: -99.885006
where:
bonds (distance) C4'-P energy: -21.770
bonds (distance) P-C4' energy: -20.019
flat angles C4'-P-C4' energy: -23.584
flat angles P-C4'-P energy: -16.500
tors. eta vs tors. theta energy: -18.011
Dist. restrs. and SS energy: -48.600 (S_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: 157
Temperature: 1.100000
Total energy: -388.290190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.290190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.890190 (E_RNA)
where:
Base-Base interactions energy: -230.532
where: short stacking energy: -88.750
Base-Backbone interact. energy: -0.481
local terms energy: -106.876492
where:
bonds (distance) C4'-P energy: -24.227
bonds (distance) P-C4' energy: -22.305
flat angles C4'-P-C4' energy: -23.119
flat angles P-C4'-P energy: -12.348
tors. eta vs tors. theta energy: -24.877
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -273.620159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.620159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.420159 (E_RNA)
where:
Base-Base interactions energy: -146.528
where: short stacking energy: -70.494
Base-Backbone interact. energy: -0.801
local terms energy: -92.090993
where:
bonds (distance) C4'-P energy: -17.310
bonds (distance) P-C4' energy: -21.401
flat angles C4'-P-C4' energy: -23.493
flat angles P-C4'-P energy: -16.620
tors. eta vs tors. theta energy: -13.268
Dist. restrs. and SS energy: -34.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -276.646153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.646153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.446153 (E_RNA)
where:
Base-Base interactions energy: -153.849
where: short stacking energy: -68.868
Base-Backbone interact. energy: -0.120
local terms energy: -88.476992
where:
bonds (distance) C4'-P energy: -16.649
bonds (distance) P-C4' energy: -27.520
flat angles C4'-P-C4' energy: -18.218
flat angles P-C4'-P energy: -9.201
tors. eta vs tors. theta energy: -16.889
Dist. restrs. and SS energy: -34.200 (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: 2
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -291.610419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.610419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.610419 (E_RNA)
where:
Base-Base interactions energy: -167.117
where: short stacking energy: -81.871
Base-Backbone interact. energy: -0.281
local terms energy: -88.212393
where:
bonds (distance) C4'-P energy: -15.893
bonds (distance) P-C4' energy: -19.893
flat angles C4'-P-C4' energy: -23.324
flat angles P-C4'-P energy: -9.450
tors. eta vs tors. theta energy: -19.653
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -258.570431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.570431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.570431 (E_RNA)
where:
Base-Base interactions energy: -142.971
where: short stacking energy: -76.521
Base-Backbone interact. energy: -0.255
local terms energy: -79.344535
where:
bonds (distance) C4'-P energy: -19.440
bonds (distance) P-C4' energy: -19.335
flat angles C4'-P-C4' energy: -10.319
flat angles P-C4'-P energy: -13.665
tors. eta vs tors. theta energy: -16.586
Dist. restrs. and SS energy: -36.000 (S_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: 157
Temperature: 1.350000
Total energy: -278.816115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.816115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.816115 (E_RNA)
where:
Base-Base interactions energy: -155.366
where: short stacking energy: -60.599
Base-Backbone interact. energy: -0.569
local terms energy: -86.880742
where:
bonds (distance) C4'-P energy: -25.777
bonds (distance) P-C4' energy: -20.767
flat angles C4'-P-C4' energy: -16.939
flat angles P-C4'-P energy: -10.195
tors. eta vs tors. theta energy: -13.203
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -419.382155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.382155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.982155 (E_RNA)
where:
Base-Base interactions energy: -264.247
where: short stacking energy: -100.639
Base-Backbone interact. energy: 0.079
local terms energy: -104.813677
where:
bonds (distance) C4'-P energy: -14.975
bonds (distance) P-C4' energy: -25.411
flat angles C4'-P-C4' energy: -19.559
flat angles P-C4'-P energy: -13.771
tors. eta vs tors. theta energy: -31.098
Dist. restrs. and SS energy: -50.400 (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: 158
Temperature: 0.950000
Total energy: -406.213508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.213508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.813508 (E_RNA)
where:
Base-Base interactions energy: -249.609
where: short stacking energy: -88.149
Base-Backbone interact. energy: -0.760
local terms energy: -105.444960
where:
bonds (distance) C4'-P energy: -19.630
bonds (distance) P-C4' energy: -23.961
flat angles C4'-P-C4' energy: -24.071
flat angles P-C4'-P energy: -17.356
tors. eta vs tors. theta energy: -20.428
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -364.851282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.851282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.451282 (E_RNA)
where:
Base-Base interactions energy: -213.363
where: short stacking energy: -85.471
Base-Backbone interact. energy: -0.682
local terms energy: -100.406213
where:
bonds (distance) C4'-P energy: -21.307
bonds (distance) P-C4' energy: -23.019
flat angles C4'-P-C4' energy: -24.679
flat angles P-C4'-P energy: -10.302
tors. eta vs tors. theta energy: -21.099
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -379.851476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.851476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.651476 (E_RNA)
where:
Base-Base interactions energy: -242.104
where: short stacking energy: -96.685
Base-Backbone interact. energy: -0.437
local terms energy: -94.111088
where:
bonds (distance) C4'-P energy: -16.187
bonds (distance) P-C4' energy: -15.080
flat angles C4'-P-C4' energy: -24.283
flat angles P-C4'-P energy: -14.191
tors. eta vs tors. theta energy: -24.371
Dist. restrs. and SS energy: -43.200 (S_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: 158
Temperature: 1.100000
Total energy: -380.560468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.560468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.160468 (E_RNA)
where:
Base-Base interactions energy: -225.994
where: short stacking energy: -86.155
Base-Backbone interact. energy: -0.218
local terms energy: -103.948171
where:
bonds (distance) C4'-P energy: -17.755
bonds (distance) P-C4' energy: -23.814
flat angles C4'-P-C4' energy: -21.145
flat angles P-C4'-P energy: -17.328
tors. eta vs tors. theta energy: -23.906
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -285.396770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.396770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.396770 (E_RNA)
where:
Base-Base interactions energy: -153.485
where: short stacking energy: -72.241
Base-Backbone interact. energy: 0.192
local terms energy: -96.103099
where:
bonds (distance) C4'-P energy: -18.239
bonds (distance) P-C4' energy: -25.846
flat angles C4'-P-C4' energy: -20.183
flat angles P-C4'-P energy: -15.143
tors. eta vs tors. theta energy: -16.692
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -280.974662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.974662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.974662 (E_RNA)
where:
Base-Base interactions energy: -159.553
where: short stacking energy: -56.480
Base-Backbone interact. energy: -0.041
local terms energy: -85.380722
where:
bonds (distance) C4'-P energy: -21.094
bonds (distance) P-C4' energy: -21.970
flat angles C4'-P-C4' energy: -21.686
flat angles P-C4'-P energy: -10.848
tors. eta vs tors. theta energy: -9.783
Dist. restrs. and SS energy: -36.000 (S_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: 158
Temperature: 1.250000
Total energy: -268.951416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.951416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.951416 (E_RNA)
where:
Base-Base interactions energy: -149.682
where: short stacking energy: -59.061
Base-Backbone interact. energy: -0.538
local terms energy: -82.731599
where:
bonds (distance) C4'-P energy: -18.533
bonds (distance) P-C4' energy: -21.055
flat angles C4'-P-C4' energy: -13.003
flat angles P-C4'-P energy: -15.662
tors. eta vs tors. theta energy: -14.479
Dist. restrs. and SS energy: -36.000 (S_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: 158
Temperature: 1.300000
Total energy: -268.718380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.718380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.718380 (E_RNA)
where:
Base-Base interactions energy: -150.522
where: short stacking energy: -64.212
Base-Backbone interact. energy: -0.296
local terms energy: -81.900447
where:
bonds (distance) C4'-P energy: -15.242
bonds (distance) P-C4' energy: -18.720
flat angles C4'-P-C4' energy: -20.461
flat angles P-C4'-P energy: -13.199
tors. eta vs tors. theta energy: -14.278
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -261.161620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.161620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.161620 (E_RNA)
where:
Base-Base interactions energy: -145.200
where: short stacking energy: -67.612
Base-Backbone interact. energy: -0.367
local terms energy: -79.594855
where:
bonds (distance) C4'-P energy: -8.183
bonds (distance) P-C4' energy: -22.615
flat angles C4'-P-C4' energy: -16.544
flat angles P-C4'-P energy: -17.858
tors. eta vs tors. theta energy: -14.396
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -411.722802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.722802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.322802 (E_RNA)
where:
Base-Base interactions energy: -261.866
where: short stacking energy: -96.891
Base-Backbone interact. energy: -0.947
local terms energy: -98.509836
where:
bonds (distance) C4'-P energy: -15.970
bonds (distance) P-C4' energy: -22.623
flat angles C4'-P-C4' energy: -22.995
flat angles P-C4'-P energy: -14.836
tors. eta vs tors. theta energy: -22.086
Dist. restrs. and SS energy: -50.400 (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: 159
Temperature: 0.950000
Total energy: -415.231498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.231498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.831498 (E_RNA)
where:
Base-Base interactions energy: -258.752
where: short stacking energy: -88.877
Base-Backbone interact. energy: -0.685
local terms energy: -105.394424
where:
bonds (distance) C4'-P energy: -23.789
bonds (distance) P-C4' energy: -18.640
flat angles C4'-P-C4' energy: -23.223
flat angles P-C4'-P energy: -18.993
tors. eta vs tors. theta energy: -20.750
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -379.849442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.849442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.449442 (E_RNA)
where:
Base-Base interactions energy: -226.350
where: short stacking energy: -84.381
Base-Backbone interact. energy: -0.887
local terms energy: -102.211851
where:
bonds (distance) C4'-P energy: -23.599
bonds (distance) P-C4' energy: -20.820
flat angles C4'-P-C4' energy: -21.883
flat angles P-C4'-P energy: -16.799
tors. eta vs tors. theta energy: -19.111
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -391.302959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.302959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.902959 (E_RNA)
where:
Base-Base interactions energy: -234.629
where: short stacking energy: -92.100
Base-Backbone interact. energy: -0.411
local terms energy: -105.863580
where:
bonds (distance) C4'-P energy: -19.403
bonds (distance) P-C4' energy: -18.531
flat angles C4'-P-C4' energy: -28.263
flat angles P-C4'-P energy: -14.302
tors. eta vs tors. theta energy: -25.364
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -381.443530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.443530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.043530 (E_RNA)
where:
Base-Base interactions energy: -225.089
where: short stacking energy: -90.161
Base-Backbone interact. energy: 1.382
local terms energy: -107.336664
where:
bonds (distance) C4'-P energy: -20.782
bonds (distance) P-C4' energy: -24.226
flat angles C4'-P-C4' energy: -24.635
flat angles P-C4'-P energy: -11.790
tors. eta vs tors. theta energy: -25.904
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -286.393238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.393238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.193238 (E_RNA)
where:
Base-Base interactions energy: -159.765
where: short stacking energy: -73.446
Base-Backbone interact. energy: 1.663
local terms energy: -94.090746
where:
bonds (distance) C4'-P energy: -21.187
bonds (distance) P-C4' energy: -19.075
flat angles C4'-P-C4' energy: -19.753
flat angles P-C4'-P energy: -19.334
tors. eta vs tors. theta energy: -14.742
Dist. restrs. and SS energy: -34.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -282.398287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.398287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.398287 (E_RNA)
where:
Base-Base interactions energy: -155.393
where: short stacking energy: -76.033
Base-Backbone interact. energy: 0.640
local terms energy: -91.645638
where:
bonds (distance) C4'-P energy: -20.223
bonds (distance) P-C4' energy: -16.463
flat angles C4'-P-C4' energy: -20.375
flat angles P-C4'-P energy: -14.277
tors. eta vs tors. theta energy: -20.308
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -274.433060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.433060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.433060 (E_RNA)
where:
Base-Base interactions energy: -148.302
where: short stacking energy: -64.369
Base-Backbone interact. energy: -0.740
local terms energy: -89.391143
where:
bonds (distance) C4'-P energy: -17.271
bonds (distance) P-C4' energy: -21.622
flat angles C4'-P-C4' energy: -14.236
flat angles P-C4'-P energy: -15.828
tors. eta vs tors. theta energy: -20.433
Dist. restrs. and SS energy: -36.000 (S_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: 159
Temperature: 1.300000
Total energy: -266.506156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.506156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.306156 (E_RNA)
where:
Base-Base interactions energy: -144.425
where: short stacking energy: -64.450
Base-Backbone interact. energy: -0.160
local terms energy: -87.721584
where:
bonds (distance) C4'-P energy: -18.265
bonds (distance) P-C4' energy: -19.945
flat angles C4'-P-C4' energy: -17.883
flat angles P-C4'-P energy: -14.010
tors. eta vs tors. theta energy: -17.619
Dist. restrs. and SS energy: -34.200 (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: 9
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -255.166795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.166795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.166795 (E_RNA)
where:
Base-Base interactions energy: -134.692
where: short stacking energy: -56.598
Base-Backbone interact. energy: -0.068
local terms energy: -84.406673
where:
bonds (distance) C4'-P energy: -22.201
bonds (distance) P-C4' energy: -24.012
flat angles C4'-P-C4' energy: -18.294
flat angles P-C4'-P energy: -13.663
tors. eta vs tors. theta energy: -6.236
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -409.085747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.085747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.685747 (E_RNA)
where:
Base-Base interactions energy: -246.291
where: short stacking energy: -101.377
Base-Backbone interact. energy: -0.654
local terms energy: -111.740954
where:
bonds (distance) C4'-P energy: -23.071
bonds (distance) P-C4' energy: -21.655
flat angles C4'-P-C4' energy: -26.121
flat angles P-C4'-P energy: -15.993
tors. eta vs tors. theta energy: -24.901
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -412.396984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.396984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.996984 (E_RNA)
where:
Base-Base interactions energy: -247.131
where: short stacking energy: -99.861
Base-Backbone interact. energy: -0.703
local terms energy: -114.163099
where:
bonds (distance) C4'-P energy: -19.446
bonds (distance) P-C4' energy: -24.070
flat angles C4'-P-C4' energy: -21.960
flat angles P-C4'-P energy: -18.814
tors. eta vs tors. theta energy: -29.873
Dist. restrs. and SS energy: -50.400 (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: 160
Temperature: 1.000000
Total energy: -408.026617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.026617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.626617 (E_RNA)
where:
Base-Base interactions energy: -250.501
where: short stacking energy: -101.054
Base-Backbone interact. energy: -0.978
local terms energy: -106.147017
where:
bonds (distance) C4'-P energy: -20.965
bonds (distance) P-C4' energy: -24.454
flat angles C4'-P-C4' energy: -18.204
flat angles P-C4'-P energy: -14.419
tors. eta vs tors. theta energy: -28.104
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -347.963482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.963482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.563482 (E_RNA)
where:
Base-Base interactions energy: -208.667
where: short stacking energy: -80.493
Base-Backbone interact. energy: 0.493
local terms energy: -89.389403
where:
bonds (distance) C4'-P energy: -19.755
bonds (distance) P-C4' energy: -23.474
flat angles C4'-P-C4' energy: -19.674
flat angles P-C4'-P energy: -8.728
tors. eta vs tors. theta energy: -17.759
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -383.392874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.392874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.792874 (E_RNA)
where:
Base-Base interactions energy: -236.774
where: short stacking energy: -95.621
Base-Backbone interact. energy: 0.514
local terms energy: -98.533520
where:
bonds (distance) C4'-P energy: -19.461
bonds (distance) P-C4' energy: -17.655
flat angles C4'-P-C4' energy: -23.529
flat angles P-C4'-P energy: -16.245
tors. eta vs tors. theta energy: -21.643
Dist. restrs. and SS energy: -48.600 (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: 7
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -289.725840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.725840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.725840 (E_RNA)
where:
Base-Base interactions energy: -161.288
where: short stacking energy: -70.472
Base-Backbone interact. energy: -0.107
local terms energy: -92.330176
where:
bonds (distance) C4'-P energy: -22.337
bonds (distance) P-C4' energy: -19.177
flat angles C4'-P-C4' energy: -23.470
flat angles P-C4'-P energy: -15.685
tors. eta vs tors. theta energy: -11.662
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -271.955128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.955128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.955128 (E_RNA)
where:
Base-Base interactions energy: -140.308
where: short stacking energy: -63.610
Base-Backbone interact. energy: -0.265
local terms energy: -95.382692
where:
bonds (distance) C4'-P energy: -22.399
bonds (distance) P-C4' energy: -24.986
flat angles C4'-P-C4' energy: -19.502
flat angles P-C4'-P energy: -17.991
tors. eta vs tors. theta energy: -10.504
Dist. restrs. and SS energy: -36.000 (S_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: 160
Temperature: 1.250000
Total energy: -255.399258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.399258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.199258 (E_RNA)
where:
Base-Base interactions energy: -140.450
where: short stacking energy: -60.286
Base-Backbone interact. energy: -0.159
local terms energy: -80.590026
where:
bonds (distance) C4'-P energy: -18.958
bonds (distance) P-C4' energy: -16.691
flat angles C4'-P-C4' energy: -23.107
flat angles P-C4'-P energy: -13.075
tors. eta vs tors. theta energy: -8.759
Dist. restrs. and SS energy: -34.200 (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: 9
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -268.803431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.803431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.803431 (E_RNA)
where:
Base-Base interactions energy: -156.292
where: short stacking energy: -68.408
Base-Backbone interact. energy: -0.955
local terms energy: -75.556541
where:
bonds (distance) C4'-P energy: -11.919
bonds (distance) P-C4' energy: -20.628
flat angles C4'-P-C4' energy: -20.196
flat angles P-C4'-P energy: -8.228
tors. eta vs tors. theta energy: -14.586
Dist. restrs. and SS energy: -36.000 (S_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: 160
Temperature: 1.350000
Total energy: -278.374761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.374761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.174761 (E_RNA)
where:
Base-Base interactions energy: -161.626
where: short stacking energy: -73.934
Base-Backbone interact. energy: -0.730
local terms energy: -81.819089
where:
bonds (distance) C4'-P energy: -20.690
bonds (distance) P-C4' energy: -9.760
flat angles C4'-P-C4' energy: -17.290
flat angles P-C4'-P energy: -17.036
tors. eta vs tors. theta energy: -17.043
Dist. restrs. and SS energy: -34.200 (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: 3
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -420.602885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.602885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.202885 (E_RNA)
where:
Base-Base interactions energy: -262.388
where: short stacking energy: -87.147
Base-Backbone interact. energy: 2.044
local terms energy: -109.859335
where:
bonds (distance) C4'-P energy: -18.414
bonds (distance) P-C4' energy: -26.226
flat angles C4'-P-C4' energy: -22.403
flat angles P-C4'-P energy: -18.672
tors. eta vs tors. theta energy: -24.144
Dist. restrs. and SS energy: -50.400 (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: 8
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -414.978419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.978419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.378419 (E_RNA)
where:
Base-Base interactions energy: -251.856
where: short stacking energy: -94.521
Base-Backbone interact. energy: -0.514
local terms energy: -114.008946
where:
bonds (distance) C4'-P energy: -22.876
bonds (distance) P-C4' energy: -22.990
flat angles C4'-P-C4' energy: -20.022
flat angles P-C4'-P energy: -18.463
tors. eta vs tors. theta energy: -29.659
Dist. restrs. and SS energy: -48.600 (S_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: 161
Temperature: 1.000000
Total energy: -407.783172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.783172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.183172 (E_RNA)
where:
Base-Base interactions energy: -244.879
where: short stacking energy: -93.608
Base-Backbone interact. energy: -1.246
local terms energy: -113.057652
where:
bonds (distance) C4'-P energy: -21.486
bonds (distance) P-C4' energy: -24.670
flat angles C4'-P-C4' energy: -25.436
flat angles P-C4'-P energy: -14.658
tors. eta vs tors. theta energy: -26.807
Dist. restrs. and SS energy: -48.600 (S_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: 161
Temperature: 1.050000
Total energy: -391.647561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.647561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.247561 (E_RNA)
where:
Base-Base interactions energy: -239.154
where: short stacking energy: -89.204
Base-Backbone interact. energy: -0.523
local terms energy: -101.569954
where:
bonds (distance) C4'-P energy: -17.830
bonds (distance) P-C4' energy: -23.608
flat angles C4'-P-C4' energy: -20.572
flat angles P-C4'-P energy: -12.209
tors. eta vs tors. theta energy: -27.350
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -335.996064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.996064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.796064 (E_RNA)
where:
Base-Base interactions energy: -193.777
where: short stacking energy: -82.729
Base-Backbone interact. energy: -0.094
local terms energy: -98.925439
where:
bonds (distance) C4'-P energy: -18.968
bonds (distance) P-C4' energy: -23.479
flat angles C4'-P-C4' energy: -19.741
flat angles P-C4'-P energy: -15.751
tors. eta vs tors. theta energy: -20.986
Dist. restrs. and SS energy: -43.200 (S_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: -285.987372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.987372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.987372 (E_RNA)
where:
Base-Base interactions energy: -173.836
where: short stacking energy: -71.225
Base-Backbone interact. energy: 2.261
local terms energy: -78.412530
where:
bonds (distance) C4'-P energy: -14.972
bonds (distance) P-C4' energy: -22.714
flat angles C4'-P-C4' energy: -12.528
flat angles P-C4'-P energy: -13.700
tors. eta vs tors. theta energy: -14.498
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -281.824541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.824541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.824541 (E_RNA)
where:
Base-Base interactions energy: -159.683
where: short stacking energy: -71.983
Base-Backbone interact. energy: -0.295
local terms energy: -85.846186
where:
bonds (distance) C4'-P energy: -18.012
bonds (distance) P-C4' energy: -20.871
flat angles C4'-P-C4' energy: -18.088
flat angles P-C4'-P energy: -16.791
tors. eta vs tors. theta energy: -12.084
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -269.694701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.694701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.694701 (E_RNA)
where:
Base-Base interactions energy: -160.295
where: short stacking energy: -74.644
Base-Backbone interact. energy: -0.001
local terms energy: -73.399181
where:
bonds (distance) C4'-P energy: -14.785
bonds (distance) P-C4' energy: -17.357
flat angles C4'-P-C4' energy: -21.961
flat angles P-C4'-P energy: -4.921
tors. eta vs tors. theta energy: -14.375
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -235.026430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.026430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.826430 (E_RNA)
where:
Base-Base interactions energy: -128.940
where: short stacking energy: -50.808
Base-Backbone interact. energy: 0.290
local terms energy: -72.176498
where:
bonds (distance) C4'-P energy: -21.429
bonds (distance) P-C4' energy: -22.961
flat angles C4'-P-C4' energy: -12.306
flat angles P-C4'-P energy: -9.411
tors. eta vs tors. theta energy: -6.070
Dist. restrs. and SS energy: -34.200 (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: 6
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -257.908390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.908390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.908390 (E_RNA)
where:
Base-Base interactions energy: -141.416
where: short stacking energy: -57.013
Base-Backbone interact. energy: -0.007
local terms energy: -80.485464
where:
bonds (distance) C4'-P energy: -19.572
bonds (distance) P-C4' energy: -19.604
flat angles C4'-P-C4' energy: -20.129
flat angles P-C4'-P energy: -11.235
tors. eta vs tors. theta energy: -9.944
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -424.120433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.120433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.720433 (E_RNA)
where:
Base-Base interactions energy: -267.123
where: short stacking energy: -89.630
Base-Backbone interact. energy: -0.647
local terms energy: -105.950472
where:
bonds (distance) C4'-P energy: -23.066
bonds (distance) P-C4' energy: -21.775
flat angles C4'-P-C4' energy: -21.256
flat angles P-C4'-P energy: -16.328
tors. eta vs tors. theta energy: -23.525
Dist. restrs. and SS energy: -50.400 (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: 8
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -400.867640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.867640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.467640 (E_RNA)
where:
Base-Base interactions energy: -238.767
where: short stacking energy: -94.277
Base-Backbone interact. energy: -0.235
local terms energy: -111.465454
where:
bonds (distance) C4'-P energy: -23.228
bonds (distance) P-C4' energy: -20.820
flat angles C4'-P-C4' energy: -21.987
flat angles P-C4'-P energy: -15.904
tors. eta vs tors. theta energy: -29.527
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -408.851223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.851223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.451223 (E_RNA)
where:
Base-Base interactions energy: -253.456
where: short stacking energy: -95.811
Base-Backbone interact. energy: 1.824
local terms energy: -106.819362
where:
bonds (distance) C4'-P energy: -21.319
bonds (distance) P-C4' energy: -25.497
flat angles C4'-P-C4' energy: -22.041
flat angles P-C4'-P energy: -9.514
tors. eta vs tors. theta energy: -28.447
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -389.988230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.988230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.588230 (E_RNA)
where:
Base-Base interactions energy: -232.694
where: short stacking energy: -93.232
Base-Backbone interact. energy: -0.125
local terms energy: -106.768733
where:
bonds (distance) C4'-P energy: -27.024
bonds (distance) P-C4' energy: -15.722
flat angles C4'-P-C4' energy: -20.883
flat angles P-C4'-P energy: -15.227
tors. eta vs tors. theta energy: -27.914
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -339.106768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.106768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.906768 (E_RNA)
where:
Base-Base interactions energy: -189.682
where: short stacking energy: -82.481
Base-Backbone interact. energy: -1.239
local terms energy: -104.985244
where:
bonds (distance) C4'-P energy: -23.092
bonds (distance) P-C4' energy: -18.526
flat angles C4'-P-C4' energy: -23.525
flat angles P-C4'-P energy: -15.674
tors. eta vs tors. theta energy: -24.169
Dist. restrs. and SS energy: -43.200 (S_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: 162
Temperature: 1.150000
Total energy: -271.264218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.264218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.264218 (E_RNA)
where:
Base-Base interactions energy: -148.264
where: short stacking energy: -60.307
Base-Backbone interact. energy: -0.874
local terms energy: -86.125790
where:
bonds (distance) C4'-P energy: -15.806
bonds (distance) P-C4' energy: -22.165
flat angles C4'-P-C4' energy: -23.090
flat angles P-C4'-P energy: -18.102
tors. eta vs tors. theta energy: -6.962
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -295.532803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.532803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.332803 (E_RNA)
where:
Base-Base interactions energy: -171.164
where: short stacking energy: -74.328
Base-Backbone interact. energy: 2.109
local terms energy: -92.277398
where:
bonds (distance) C4'-P energy: -20.886
bonds (distance) P-C4' energy: -22.021
flat angles C4'-P-C4' energy: -12.368
flat angles P-C4'-P energy: -15.571
tors. eta vs tors. theta energy: -21.431
Dist. restrs. and SS energy: -34.200 (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: 9
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -279.617022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.617022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.417022 (E_RNA)
where:
Base-Base interactions energy: -153.315
where: short stacking energy: -61.868
Base-Backbone interact. energy: -0.419
local terms energy: -91.683019
where:
bonds (distance) C4'-P energy: -21.523
bonds (distance) P-C4' energy: -20.636
flat angles C4'-P-C4' energy: -21.225
flat angles P-C4'-P energy: -16.011
tors. eta vs tors. theta energy: -12.288
Dist. restrs. and SS energy: -34.200 (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: 6
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -274.128809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.128809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.128809 (E_RNA)
where:
Base-Base interactions energy: -151.534
where: short stacking energy: -63.460
Base-Backbone interact. energy: -0.217
local terms energy: -86.377684
where:
bonds (distance) C4'-P energy: -15.384
bonds (distance) P-C4' energy: -21.223
flat angles C4'-P-C4' energy: -21.030
flat angles P-C4'-P energy: -17.402
tors. eta vs tors. theta energy: -11.338
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -255.350060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.350060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.350060 (E_RNA)
where:
Base-Base interactions energy: -139.380
where: short stacking energy: -64.649
Base-Backbone interact. energy: -0.315
local terms energy: -79.654995
where:
bonds (distance) C4'-P energy: -16.421
bonds (distance) P-C4' energy: -19.673
flat angles C4'-P-C4' energy: -22.568
flat angles P-C4'-P energy: -8.929
tors. eta vs tors. theta energy: -12.064
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -403.965091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.965091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.565091 (E_RNA)
where:
Base-Base interactions energy: -241.001
where: short stacking energy: -95.170
Base-Backbone interact. energy: -1.375
local terms energy: -111.188959
where:
bonds (distance) C4'-P energy: -18.633
bonds (distance) P-C4' energy: -22.000
flat angles C4'-P-C4' energy: -23.480
flat angles P-C4'-P energy: -19.821
tors. eta vs tors. theta energy: -27.256
Dist. restrs. and SS energy: -50.400 (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: 8
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -411.772215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.772215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.372215 (E_RNA)
where:
Base-Base interactions energy: -259.094
where: short stacking energy: -101.109
Base-Backbone interact. energy: 4.127
local terms energy: -106.405023
where:
bonds (distance) C4'-P energy: -17.830
bonds (distance) P-C4' energy: -19.066
flat angles C4'-P-C4' energy: -24.416
flat angles P-C4'-P energy: -17.659
tors. eta vs tors. theta energy: -27.434
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -393.231066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.231066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.631066 (E_RNA)
where:
Base-Base interactions energy: -237.137
where: short stacking energy: -96.075
Base-Backbone interact. energy: -0.428
local terms energy: -107.065829
where:
bonds (distance) C4'-P energy: -18.063
bonds (distance) P-C4' energy: -22.137
flat angles C4'-P-C4' energy: -23.199
flat angles P-C4'-P energy: -15.397
tors. eta vs tors. theta energy: -28.270
Dist. restrs. and SS energy: -48.600 (S_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: -406.704483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.704483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.304483 (E_RNA)
where:
Base-Base interactions energy: -241.138
where: short stacking energy: -87.820
Base-Backbone interact. energy: -0.441
local terms energy: -114.725524
where:
bonds (distance) C4'-P energy: -21.808
bonds (distance) P-C4' energy: -25.705
flat angles C4'-P-C4' energy: -21.719
flat angles P-C4'-P energy: -20.377
tors. eta vs tors. theta energy: -25.116
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -338.843036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.843036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.643036 (E_RNA)
where:
Base-Base interactions energy: -197.473
where: short stacking energy: -89.716
Base-Backbone interact. energy: -0.283
local terms energy: -97.886927
where:
bonds (distance) C4'-P energy: -18.832
bonds (distance) P-C4' energy: -21.196
flat angles C4'-P-C4' energy: -21.690
flat angles P-C4'-P energy: -14.794
tors. eta vs tors. theta energy: -21.374
Dist. restrs. and SS energy: -43.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -285.187964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.187964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.187964 (E_RNA)
where:
Base-Base interactions energy: -158.902
where: short stacking energy: -79.167
Base-Backbone interact. energy: -1.358
local terms energy: -88.927418
where:
bonds (distance) C4'-P energy: -19.280
bonds (distance) P-C4' energy: -22.686
flat angles C4'-P-C4' energy: -18.393
flat angles P-C4'-P energy: -16.658
tors. eta vs tors. theta energy: -11.910
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -262.554962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.554962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.554962 (E_RNA)
where:
Base-Base interactions energy: -138.881
where: short stacking energy: -63.384
Base-Backbone interact. energy: -0.382
local terms energy: -87.291946
where:
bonds (distance) C4'-P energy: -16.853
bonds (distance) P-C4' energy: -23.493
flat angles C4'-P-C4' energy: -23.443
flat angles P-C4'-P energy: -17.360
tors. eta vs tors. theta energy: -6.143
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -280.087560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.087560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.087560 (E_RNA)
where:
Base-Base interactions energy: -152.380
where: short stacking energy: -71.332
Base-Backbone interact. energy: 0.285
local terms energy: -91.992731
where:
bonds (distance) C4'-P energy: -17.744
bonds (distance) P-C4' energy: -21.482
flat angles C4'-P-C4' energy: -22.389
flat angles P-C4'-P energy: -18.084
tors. eta vs tors. theta energy: -12.293
Dist. restrs. and SS energy: -36.000 (S_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: 163
Temperature: 1.300000
Total energy: -275.549285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.549285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.549285 (E_RNA)
where:
Base-Base interactions energy: -149.329
where: short stacking energy: -63.671
Base-Backbone interact. energy: 2.574
local terms energy: -92.794510
where:
bonds (distance) C4'-P energy: -21.084
bonds (distance) P-C4' energy: -19.324
flat angles C4'-P-C4' energy: -24.049
flat angles P-C4'-P energy: -17.227
tors. eta vs tors. theta energy: -11.110
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -252.383338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.383338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.383338 (E_RNA)
where:
Base-Base interactions energy: -137.206
where: short stacking energy: -51.626
Base-Backbone interact. energy: -0.653
local terms energy: -78.524263
where:
bonds (distance) C4'-P energy: -24.997
bonds (distance) P-C4' energy: -14.201
flat angles C4'-P-C4' energy: -19.971
flat angles P-C4'-P energy: -12.100
tors. eta vs tors. theta energy: -7.255
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -410.634562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.634562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.234562 (E_RNA)
where:
Base-Base interactions energy: -249.293
where: short stacking energy: -92.193
Base-Backbone interact. energy: -0.249
local terms energy: -110.692598
where:
bonds (distance) C4'-P energy: -24.648
bonds (distance) P-C4' energy: -21.522
flat angles C4'-P-C4' energy: -24.779
flat angles P-C4'-P energy: -16.777
tors. eta vs tors. theta energy: -22.967
Dist. restrs. and SS energy: -50.400 (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: 164
Temperature: 0.950000
Total energy: -402.391582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.391582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.991582 (E_RNA)
where:
Base-Base interactions energy: -241.414
where: short stacking energy: -90.329
Base-Backbone interact. energy: 0.099
local terms energy: -110.676558
where:
bonds (distance) C4'-P energy: -24.424
bonds (distance) P-C4' energy: -18.734
flat angles C4'-P-C4' energy: -22.878
flat angles P-C4'-P energy: -18.644
tors. eta vs tors. theta energy: -25.997
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -402.662303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.662303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.262303 (E_RNA)
where:
Base-Base interactions energy: -248.582
where: short stacking energy: -92.329
Base-Backbone interact. energy: -1.088
local terms energy: -102.592445
where:
bonds (distance) C4'-P energy: -14.881
bonds (distance) P-C4' energy: -19.686
flat angles C4'-P-C4' energy: -24.861
flat angles P-C4'-P energy: -16.455
tors. eta vs tors. theta energy: -26.710
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -397.450891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.450891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.050891 (E_RNA)
where:
Base-Base interactions energy: -235.801
where: short stacking energy: -100.035
Base-Backbone interact. energy: -0.497
local terms energy: -110.753161
where:
bonds (distance) C4'-P energy: -21.729
bonds (distance) P-C4' energy: -20.833
flat angles C4'-P-C4' energy: -20.760
flat angles P-C4'-P energy: -19.184
tors. eta vs tors. theta energy: -28.247
Dist. restrs. and SS energy: -50.400 (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: 4
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -294.923893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.923893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.923893 (E_RNA)
where:
Base-Base interactions energy: -168.979
where: short stacking energy: -73.770
Base-Backbone interact. energy: -0.399
local terms energy: -89.546570
where:
bonds (distance) C4'-P energy: -19.221
bonds (distance) P-C4' energy: -20.971
flat angles C4'-P-C4' energy: -19.628
flat angles P-C4'-P energy: -15.222
tors. eta vs tors. theta energy: -14.506
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -324.053893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.053893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.653893 (E_RNA)
where:
Base-Base interactions energy: -181.058
where: short stacking energy: -76.379
Base-Backbone interact. energy: -0.157
local terms energy: -92.438175
where:
bonds (distance) C4'-P energy: -21.279
bonds (distance) P-C4' energy: -22.875
flat angles C4'-P-C4' energy: -19.225
flat angles P-C4'-P energy: -12.148
tors. eta vs tors. theta energy: -16.911
Dist. restrs. and SS energy: -50.400 (S_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: 164
Temperature: 1.200000
Total energy: -300.835444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.835444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.835444 (E_RNA)
where:
Base-Base interactions energy: -177.032
where: short stacking energy: -81.302
Base-Backbone interact. energy: -0.490
local terms energy: -87.313094
where:
bonds (distance) C4'-P energy: -15.235
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -17.770
flat angles P-C4'-P energy: -16.823
tors. eta vs tors. theta energy: -19.520
Dist. restrs. and SS energy: -36.000 (S_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: 164
Temperature: 1.250000
Total energy: -283.516556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.516556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.516556 (E_RNA)
where:
Base-Base interactions energy: -165.564
where: short stacking energy: -54.532
Base-Backbone interact. energy: -0.361
local terms energy: -81.591479
where:
bonds (distance) C4'-P energy: -22.803
bonds (distance) P-C4' energy: -16.282
flat angles C4'-P-C4' energy: -21.934
flat angles P-C4'-P energy: -9.660
tors. eta vs tors. theta energy: -10.913
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -270.224205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.224205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.224205 (E_RNA)
where:
Base-Base interactions energy: -150.997
where: short stacking energy: -62.982
Base-Backbone interact. energy: 2.803
local terms energy: -86.030056
where:
bonds (distance) C4'-P energy: -13.989
bonds (distance) P-C4' energy: -21.975
flat angles C4'-P-C4' energy: -21.833
flat angles P-C4'-P energy: -13.553
tors. eta vs tors. theta energy: -14.680
Dist. restrs. and SS energy: -36.000 (S_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: 164
Temperature: 1.350000
Total energy: -264.236457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.236457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.236457 (E_RNA)
where:
Base-Base interactions energy: -153.200
where: short stacking energy: -76.008
Base-Backbone interact. energy: -0.390
local terms energy: -74.647166
where:
bonds (distance) C4'-P energy: -18.652
bonds (distance) P-C4' energy: -9.450
flat angles C4'-P-C4' energy: -19.773
flat angles P-C4'-P energy: -7.649
tors. eta vs tors. theta energy: -19.123
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -417.550094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.550094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.150094 (E_RNA)
where:
Base-Base interactions energy: -247.133
where: short stacking energy: -99.118
Base-Backbone interact. energy: -0.475
local terms energy: -119.541740
where:
bonds (distance) C4'-P energy: -21.238
bonds (distance) P-C4' energy: -23.819
flat angles C4'-P-C4' energy: -24.113
flat angles P-C4'-P energy: -20.341
tors. eta vs tors. theta energy: -30.031
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -406.892725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.892725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.092725 (E_RNA)
where:
Base-Base interactions energy: -250.965
where: short stacking energy: -98.088
Base-Backbone interact. energy: -0.468
local terms energy: -108.660297
where:
bonds (distance) C4'-P energy: -17.786
bonds (distance) P-C4' energy: -22.834
flat angles C4'-P-C4' energy: -18.857
flat angles P-C4'-P energy: -20.446
tors. eta vs tors. theta energy: -28.738
Dist. restrs. and SS energy: -46.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -399.052196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.052196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.252196 (E_RNA)
where:
Base-Base interactions energy: -241.306
where: short stacking energy: -94.590
Base-Backbone interact. energy: -0.782
local terms energy: -110.163713
where:
bonds (distance) C4'-P energy: -24.296
bonds (distance) P-C4' energy: -20.780
flat angles C4'-P-C4' energy: -20.603
flat angles P-C4'-P energy: -17.573
tors. eta vs tors. theta energy: -26.911
Dist. restrs. and SS energy: -46.800 (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: 5
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -385.823417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.823417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.223417 (E_RNA)
where:
Base-Base interactions energy: -237.594
where: short stacking energy: -92.033
Base-Backbone interact. energy: -1.193
local terms energy: -98.436769
where:
bonds (distance) C4'-P energy: -14.883
bonds (distance) P-C4' energy: -17.624
flat angles C4'-P-C4' energy: -20.308
flat angles P-C4'-P energy: -17.245
tors. eta vs tors. theta energy: -28.377
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -307.119272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.119272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.519272 (E_RNA)
where:
Base-Base interactions energy: -177.235
where: short stacking energy: -67.995
Base-Backbone interact. energy: -0.505
local terms energy: -98.779269
where:
bonds (distance) C4'-P energy: -21.449
bonds (distance) P-C4' energy: -20.562
flat angles C4'-P-C4' energy: -20.594
flat angles P-C4'-P energy: -15.342
tors. eta vs tors. theta energy: -20.832
Dist. restrs. and SS energy: -30.600 (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: 1
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -314.881516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.881516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.481516 (E_RNA)
where:
Base-Base interactions energy: -175.357
where: short stacking energy: -68.959
Base-Backbone interact. energy: -0.071
local terms energy: -89.052986
where:
bonds (distance) C4'-P energy: -16.107
bonds (distance) P-C4' energy: -23.194
flat angles C4'-P-C4' energy: -17.963
flat angles P-C4'-P energy: -14.028
tors. eta vs tors. theta energy: -17.761
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -283.615166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.615166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.615166 (E_RNA)
where:
Base-Base interactions energy: -158.830
where: short stacking energy: -70.900
Base-Backbone interact. energy: -0.649
local terms energy: -88.135983
where:
bonds (distance) C4'-P energy: -17.071
bonds (distance) P-C4' energy: -18.958
flat angles C4'-P-C4' energy: -20.658
flat angles P-C4'-P energy: -14.946
tors. eta vs tors. theta energy: -16.504
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -256.107530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.107530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.107530 (E_RNA)
where:
Base-Base interactions energy: -129.901
where: short stacking energy: -62.493
Base-Backbone interact. energy: 2.558
local terms energy: -92.765402
where:
bonds (distance) C4'-P energy: -19.126
bonds (distance) P-C4' energy: -23.154
flat angles C4'-P-C4' energy: -18.205
flat angles P-C4'-P energy: -16.258
tors. eta vs tors. theta energy: -16.022
Dist. restrs. and SS energy: -36.000 (S_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: 165
Temperature: 1.300000
Total energy: -275.333427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.333427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.333427 (E_RNA)
where:
Base-Base interactions energy: -153.755
where: short stacking energy: -60.744
Base-Backbone interact. energy: -0.332
local terms energy: -85.246329
where:
bonds (distance) C4'-P energy: -14.029
bonds (distance) P-C4' energy: -22.496
flat angles C4'-P-C4' energy: -21.321
flat angles P-C4'-P energy: -14.774
tors. eta vs tors. theta energy: -12.626
Dist. restrs. and SS energy: -36.000 (S_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: 165
Temperature: 1.350000
Total energy: -269.756938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.756938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.756938 (E_RNA)
where:
Base-Base interactions energy: -149.549
where: short stacking energy: -63.006
Base-Backbone interact. energy: -0.073
local terms energy: -84.134983
where:
bonds (distance) C4'-P energy: -24.941
bonds (distance) P-C4' energy: -18.009
flat angles C4'-P-C4' energy: -11.163
flat angles P-C4'-P energy: -14.289
tors. eta vs tors. theta energy: -15.733
Dist. restrs. and SS energy: -36.000 (S_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: 166
Temperature: 0.900000
Total energy: -412.114489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.114489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.714489 (E_RNA)
where:
Base-Base interactions energy: -252.876
where: short stacking energy: -99.727
Base-Backbone interact. energy: 0.287
local terms energy: -109.125227
where:
bonds (distance) C4'-P energy: -23.295
bonds (distance) P-C4' energy: -20.030
flat angles C4'-P-C4' energy: -23.510
flat angles P-C4'-P energy: -17.260
tors. eta vs tors. theta energy: -25.031
Dist. restrs. and SS energy: -50.400 (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: 8
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -410.214533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.214533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.614533 (E_RNA)
where:
Base-Base interactions energy: -248.064
where: short stacking energy: -96.391
Base-Backbone interact. energy: -1.604
local terms energy: -111.946099
where:
bonds (distance) C4'-P energy: -22.570
bonds (distance) P-C4' energy: -21.918
flat angles C4'-P-C4' energy: -20.626
flat angles P-C4'-P energy: -16.690
tors. eta vs tors. theta energy: -30.142
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -404.620034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.620034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.820034 (E_RNA)
where:
Base-Base interactions energy: -257.324
where: short stacking energy: -93.313
Base-Backbone interact. energy: -2.480
local terms energy: -98.016028
where:
bonds (distance) C4'-P energy: -20.303
bonds (distance) P-C4' energy: -15.917
flat angles C4'-P-C4' energy: -17.875
flat angles P-C4'-P energy: -16.628
tors. eta vs tors. theta energy: -27.293
Dist. restrs. and SS energy: -46.800 (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: 5
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -393.818620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.818620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.218620 (E_RNA)
where:
Base-Base interactions energy: -251.412
where: short stacking energy: -93.751
Base-Backbone interact. energy: 0.416
local terms energy: -94.223054
where:
bonds (distance) C4'-P energy: -24.304
bonds (distance) P-C4' energy: -16.920
flat angles C4'-P-C4' energy: -20.519
flat angles P-C4'-P energy: -8.183
tors. eta vs tors. theta energy: -24.297
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -331.604449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.604449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.404449 (E_RNA)
where:
Base-Base interactions energy: -184.794
where: short stacking energy: -78.025
Base-Backbone interact. energy: -0.291
local terms energy: -103.319606
where:
bonds (distance) C4'-P energy: -19.146
bonds (distance) P-C4' energy: -24.327
flat angles C4'-P-C4' energy: -24.325
flat angles P-C4'-P energy: -15.988
tors. eta vs tors. theta energy: -19.534
Dist. restrs. and SS energy: -43.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -308.493016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.493016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.493016 (E_RNA)
where:
Base-Base interactions energy: -165.409
where: short stacking energy: -83.822
Base-Backbone interact. energy: -0.789
local terms energy: -106.295299
where:
bonds (distance) C4'-P energy: -20.958
bonds (distance) P-C4' energy: -22.251
flat angles C4'-P-C4' energy: -22.566
flat angles P-C4'-P energy: -13.499
tors. eta vs tors. theta energy: -27.021
Dist. restrs. and SS energy: -36.000 (S_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: 166
Temperature: 1.200000
Total energy: -280.467796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.467796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.467796 (E_RNA)
where:
Base-Base interactions energy: -150.033
where: short stacking energy: -80.692
Base-Backbone interact. energy: 0.409
local terms energy: -94.843502
where:
bonds (distance) C4'-P energy: -25.328
bonds (distance) P-C4' energy: -18.725
flat angles C4'-P-C4' energy: -23.168
flat angles P-C4'-P energy: -11.757
tors. eta vs tors. theta energy: -15.866
Dist. restrs. and SS energy: -36.000 (S_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: 166
Temperature: 1.250000
Total energy: -269.517708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.517708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.517708 (E_RNA)
where:
Base-Base interactions energy: -150.677
where: short stacking energy: -59.396
Base-Backbone interact. energy: -0.275
local terms energy: -82.565475
where:
bonds (distance) C4'-P energy: -16.522
bonds (distance) P-C4' energy: -25.423
flat angles C4'-P-C4' energy: -21.554
flat angles P-C4'-P energy: -4.790
tors. eta vs tors. theta energy: -14.275
Dist. restrs. and SS energy: -36.000 (S_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: 166
Temperature: 1.300000
Total energy: -279.861765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.861765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.861765 (E_RNA)
where:
Base-Base interactions energy: -153.106
where: short stacking energy: -63.680
Base-Backbone interact. energy: -0.386
local terms energy: -90.370241
where:
bonds (distance) C4'-P energy: -22.964
bonds (distance) P-C4' energy: -23.629
flat angles C4'-P-C4' energy: -23.913
flat angles P-C4'-P energy: -11.849
tors. eta vs tors. theta energy: -8.016
Dist. restrs. and SS energy: -36.000 (S_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: 166
Temperature: 1.350000
Total energy: -242.919128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.919128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.919128 (E_RNA)
where:
Base-Base interactions energy: -132.130
where: short stacking energy: -59.786
Base-Backbone interact. energy: -0.225
local terms energy: -74.563856
where:
bonds (distance) C4'-P energy: -14.199
bonds (distance) P-C4' energy: -20.169
flat angles C4'-P-C4' energy: -17.875
flat angles P-C4'-P energy: -14.463
tors. eta vs tors. theta energy: -7.858
Dist. restrs. and SS energy: -36.000 (S_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: 167
Temperature: 0.900000
Total energy: -418.465297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.465297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.065297 (E_RNA)
where:
Base-Base interactions energy: -256.699
where: short stacking energy: -99.301
Base-Backbone interact. energy: -0.249
local terms energy: -111.116870
where:
bonds (distance) C4'-P energy: -21.036
bonds (distance) P-C4' energy: -23.088
flat angles C4'-P-C4' energy: -21.453
flat angles P-C4'-P energy: -17.011
tors. eta vs tors. theta energy: -28.529
Dist. restrs. and SS energy: -50.400 (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: 8
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -406.129907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.129907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.729907 (E_RNA)
where:
Base-Base interactions energy: -246.640
where: short stacking energy: -95.869
Base-Backbone interact. energy: 1.288
local terms energy: -110.377921
where:
bonds (distance) C4'-P energy: -17.435
bonds (distance) P-C4' energy: -24.024
flat angles C4'-P-C4' energy: -25.977
flat angles P-C4'-P energy: -13.881
tors. eta vs tors. theta energy: -29.061
Dist. restrs. and SS energy: -50.400 (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: 3
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -408.943402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.943402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.343402 (E_RNA)
where:
Base-Base interactions energy: -250.031
where: short stacking energy: -99.566
Base-Backbone interact. energy: 0.483
local terms energy: -110.795141
where:
bonds (distance) C4'-P energy: -21.738
bonds (distance) P-C4' energy: -18.849
flat angles C4'-P-C4' energy: -21.967
flat angles P-C4'-P energy: -19.215
tors. eta vs tors. theta energy: -29.027
Dist. restrs. and SS energy: -48.600 (S_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: 167
Temperature: 1.050000
Total energy: -407.313003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.313003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.913003 (E_RNA)
where:
Base-Base interactions energy: -252.083
where: short stacking energy: -99.131
Base-Backbone interact. energy: -0.200
local terms energy: -104.629468
where:
bonds (distance) C4'-P energy: -18.189
bonds (distance) P-C4' energy: -21.305
flat angles C4'-P-C4' energy: -26.939
flat angles P-C4'-P energy: -12.043
tors. eta vs tors. theta energy: -26.154
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -345.324955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.324955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.724955 (E_RNA)
where:
Base-Base interactions energy: -201.567
where: short stacking energy: -88.046
Base-Backbone interact. energy: -0.391
local terms energy: -94.766942
where:
bonds (distance) C4'-P energy: -19.944
bonds (distance) P-C4' energy: -17.459
flat angles C4'-P-C4' energy: -21.937
flat angles P-C4'-P energy: -14.836
tors. eta vs tors. theta energy: -20.591
Dist. restrs. and SS energy: -48.600 (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: 4
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -310.968663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.968663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.968663 (E_RNA)
where:
Base-Base interactions energy: -171.470
where: short stacking energy: -75.510
Base-Backbone interact. energy: -0.337
local terms energy: -103.161996
where:
bonds (distance) C4'-P energy: -20.041
bonds (distance) P-C4' energy: -25.238
flat angles C4'-P-C4' energy: -19.814
flat angles P-C4'-P energy: -15.461
tors. eta vs tors. theta energy: -22.608
Dist. restrs. and SS energy: -36.000 (S_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: 167
Temperature: 1.200000
Total energy: -293.063264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.063264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.063264 (E_RNA)
where:
Base-Base interactions energy: -165.489
where: short stacking energy: -77.360
Base-Backbone interact. energy: -0.301
local terms energy: -91.273053
where:
bonds (distance) C4'-P energy: -17.887
bonds (distance) P-C4' energy: -21.734
flat angles C4'-P-C4' energy: -20.767
flat angles P-C4'-P energy: -11.367
tors. eta vs tors. theta energy: -19.518
Dist. restrs. and SS energy: -36.000 (S_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: 167
Temperature: 1.250000
Total energy: -266.139080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.139080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.939080 (E_RNA)
where:
Base-Base interactions energy: -148.283
where: short stacking energy: -65.741
Base-Backbone interact. energy: 2.631
local terms energy: -86.287554
where:
bonds (distance) C4'-P energy: -20.691
bonds (distance) P-C4' energy: -16.283
flat angles C4'-P-C4' energy: -22.825
flat angles P-C4'-P energy: -12.003
tors. eta vs tors. theta energy: -14.485
Dist. restrs. and SS energy: -34.200 (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: 2
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -274.408938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.408938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.208938 (E_RNA)
where:
Base-Base interactions energy: -152.213
where: short stacking energy: -61.883
Base-Backbone interact. energy: 0.728
local terms energy: -88.724343
where:
bonds (distance) C4'-P energy: -15.250
bonds (distance) P-C4' energy: -23.739
flat angles C4'-P-C4' energy: -20.931
flat angles P-C4'-P energy: -17.978
tors. eta vs tors. theta energy: -10.826
Dist. restrs. and SS energy: -34.200 (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: 167
Temperature: 1.350000
Total energy: -276.294021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.294021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.294021 (E_RNA)
where:
Base-Base interactions energy: -156.996
where: short stacking energy: -69.703
Base-Backbone interact. energy: 0.592
local terms energy: -83.889958
where:
bonds (distance) C4'-P energy: -15.454
bonds (distance) P-C4' energy: -20.974
flat angles C4'-P-C4' energy: -19.244
flat angles P-C4'-P energy: -14.045
tors. eta vs tors. theta energy: -14.173
Dist. restrs. and SS energy: -36.000 (S_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: 168
Temperature: 0.900000
Total energy: -414.863772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.863772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.463772 (E_RNA)
where:
Base-Base interactions energy: -242.688
where: short stacking energy: -101.046
Base-Backbone interact. energy: -1.478
local terms energy: -120.297272
where:
bonds (distance) C4'-P energy: -23.854
bonds (distance) P-C4' energy: -22.420
flat angles C4'-P-C4' energy: -27.703
flat angles P-C4'-P energy: -15.169
tors. eta vs tors. theta energy: -31.151
Dist. restrs. and SS energy: -50.400 (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: 8
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -412.669253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.669253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.269253 (E_RNA)
where:
Base-Base interactions energy: -255.326
where: short stacking energy: -94.987
Base-Backbone interact. energy: -0.880
local terms energy: -106.063482
where:
bonds (distance) C4'-P energy: -18.086
bonds (distance) P-C4' energy: -20.142
flat angles C4'-P-C4' energy: -23.714
flat angles P-C4'-P energy: -17.367
tors. eta vs tors. theta energy: -26.754
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -402.953667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.953667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.553667 (E_RNA)
where:
Base-Base interactions energy: -245.012
where: short stacking energy: -99.403
Base-Backbone interact. energy: -0.565
local terms energy: -106.976150
where:
bonds (distance) C4'-P energy: -24.860
bonds (distance) P-C4' energy: -17.225
flat angles C4'-P-C4' energy: -23.509
flat angles P-C4'-P energy: -12.338
tors. eta vs tors. theta energy: -29.044
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -402.247285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.247285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.847285 (E_RNA)
where:
Base-Base interactions energy: -243.819
where: short stacking energy: -93.624
Base-Backbone interact. energy: -0.167
local terms energy: -107.860667
where:
bonds (distance) C4'-P energy: -19.982
bonds (distance) P-C4' energy: -18.667
flat angles C4'-P-C4' energy: -23.509
flat angles P-C4'-P energy: -17.912
tors. eta vs tors. theta energy: -27.790
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -346.384773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.384773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.984773 (E_RNA)
where:
Base-Base interactions energy: -205.075
where: short stacking energy: -83.382
Base-Backbone interact. energy: -0.089
local terms energy: -90.820825
where:
bonds (distance) C4'-P energy: -18.956
bonds (distance) P-C4' energy: -15.416
flat angles C4'-P-C4' energy: -21.461
flat angles P-C4'-P energy: -14.244
tors. eta vs tors. theta energy: -20.743
Dist. restrs. and SS energy: -50.400 (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: 4
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -306.422416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.422416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.222416 (E_RNA)
where:
Base-Base interactions energy: -175.806
where: short stacking energy: -74.680
Base-Backbone interact. energy: -0.423
local terms energy: -95.993540
where:
bonds (distance) C4'-P energy: -19.618
bonds (distance) P-C4' energy: -17.202
flat angles C4'-P-C4' energy: -22.612
flat angles P-C4'-P energy: -17.136
tors. eta vs tors. theta energy: -19.426
Dist. restrs. and SS energy: -34.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -319.905752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.905752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.705752 (E_RNA)
where:
Base-Base interactions energy: -185.106
where: short stacking energy: -95.749
Base-Backbone interact. energy: -1.409
local terms energy: -99.191437
where:
bonds (distance) C4'-P energy: -22.098
bonds (distance) P-C4' energy: -17.261
flat angles C4'-P-C4' energy: -20.691
flat angles P-C4'-P energy: -16.047
tors. eta vs tors. theta energy: -23.094
Dist. restrs. and SS energy: -34.200 (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: 6
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -275.227190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.227190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.227190 (E_RNA)
where:
Base-Base interactions energy: -150.518
where: short stacking energy: -63.983
Base-Backbone interact. energy: 0.038
local terms energy: -88.746707
where:
bonds (distance) C4'-P energy: -19.679
bonds (distance) P-C4' energy: -25.666
flat angles C4'-P-C4' energy: -16.826
flat angles P-C4'-P energy: -13.850
tors. eta vs tors. theta energy: -12.726
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -269.868393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.868393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.868393 (E_RNA)
where:
Base-Base interactions energy: -150.914
where: short stacking energy: -69.792
Base-Backbone interact. energy: 0.393
local terms energy: -83.346780
where:
bonds (distance) C4'-P energy: -17.627
bonds (distance) P-C4' energy: -21.746
flat angles C4'-P-C4' energy: -22.634
flat angles P-C4'-P energy: -6.108
tors. eta vs tors. theta energy: -15.231
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -249.233531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.233531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.233531 (E_RNA)
where:
Base-Base interactions energy: -142.080
where: short stacking energy: -60.598
Base-Backbone interact. energy: 1.747
local terms energy: -72.901182
where:
bonds (distance) C4'-P energy: -15.448
bonds (distance) P-C4' energy: -18.187
flat angles C4'-P-C4' energy: -25.943
flat angles P-C4'-P energy: -8.644
tors. eta vs tors. theta energy: -4.680
Dist. restrs. and SS energy: -36.000 (S_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: 169
Temperature: 0.900000
Total energy: -409.252303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.252303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.852303 (E_RNA)
where:
Base-Base interactions energy: -246.724
where: short stacking energy: -98.405
Base-Backbone interact. energy: 1.721
local terms energy: -113.848975
where:
bonds (distance) C4'-P energy: -27.269
bonds (distance) P-C4' energy: -21.387
flat angles C4'-P-C4' energy: -22.473
flat angles P-C4'-P energy: -14.998
tors. eta vs tors. theta energy: -27.722
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -418.221143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.221143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.821143 (E_RNA)
where:
Base-Base interactions energy: -248.984
where: short stacking energy: -103.649
Base-Backbone interact. energy: -1.332
local terms energy: -117.505147
where:
bonds (distance) C4'-P energy: -19.883
bonds (distance) P-C4' energy: -24.381
flat angles C4'-P-C4' energy: -23.682
flat angles P-C4'-P energy: -20.405
tors. eta vs tors. theta energy: -29.155
Dist. restrs. and SS energy: -50.400 (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: 169
Temperature: 1.000000
Total energy: -397.262778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.262778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.862778 (E_RNA)
where:
Base-Base interactions energy: -236.898
where: short stacking energy: -100.186
Base-Backbone interact. energy: -0.832
local terms energy: -109.132686
where:
bonds (distance) C4'-P energy: -20.350
bonds (distance) P-C4' energy: -23.657
flat angles C4'-P-C4' energy: -19.622
flat angles P-C4'-P energy: -16.098
tors. eta vs tors. theta energy: -29.406
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -398.311836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.311836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.911836 (E_RNA)
where:
Base-Base interactions energy: -240.225
where: short stacking energy: -95.085
Base-Backbone interact. energy: -0.373
local terms energy: -107.313255
where:
bonds (distance) C4'-P energy: -21.786
bonds (distance) P-C4' energy: -14.711
flat angles C4'-P-C4' energy: -25.308
flat angles P-C4'-P energy: -15.947
tors. eta vs tors. theta energy: -29.561
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -356.059078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.059078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.659078 (E_RNA)
where:
Base-Base interactions energy: -206.062
where: short stacking energy: -92.924
Base-Backbone interact. energy: -0.357
local terms energy: -99.239947
where:
bonds (distance) C4'-P energy: -21.345
bonds (distance) P-C4' energy: -22.788
flat angles C4'-P-C4' energy: -22.352
flat angles P-C4'-P energy: -13.986
tors. eta vs tors. theta energy: -18.768
Dist. restrs. and SS energy: -50.400 (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: 9
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -319.356035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.356035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.356035 (E_RNA)
where:
Base-Base interactions energy: -176.322
where: short stacking energy: -78.214
Base-Backbone interact. energy: -0.167
local terms energy: -106.866843
where:
bonds (distance) C4'-P energy: -20.723
bonds (distance) P-C4' energy: -20.402
flat angles C4'-P-C4' energy: -24.557
flat angles P-C4'-P energy: -14.319
tors. eta vs tors. theta energy: -26.866
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -285.361003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.361003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.361003 (E_RNA)
where:
Base-Base interactions energy: -158.435
where: short stacking energy: -72.769
Base-Backbone interact. energy: -0.027
local terms energy: -90.898604
where:
bonds (distance) C4'-P energy: -19.444
bonds (distance) P-C4' energy: -20.707
flat angles C4'-P-C4' energy: -23.926
flat angles P-C4'-P energy: -12.226
tors. eta vs tors. theta energy: -14.596
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -272.666294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.666294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.666294 (E_RNA)
where:
Base-Base interactions energy: -155.707
where: short stacking energy: -70.365
Base-Backbone interact. energy: 1.116
local terms energy: -82.074944
where:
bonds (distance) C4'-P energy: -21.807
bonds (distance) P-C4' energy: -20.745
flat angles C4'-P-C4' energy: -16.349
flat angles P-C4'-P energy: -11.005
tors. eta vs tors. theta energy: -12.169
Dist. restrs. and SS energy: -36.000 (S_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: 169
Temperature: 1.300000
Total energy: -278.968123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.968123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.768123 (E_RNA)
where:
Base-Base interactions energy: -152.970
where: short stacking energy: -74.395
Base-Backbone interact. energy: -1.617
local terms energy: -90.181537
where:
bonds (distance) C4'-P energy: -17.275
bonds (distance) P-C4' energy: -19.469
flat angles C4'-P-C4' energy: -22.108
flat angles P-C4'-P energy: -14.393
tors. eta vs tors. theta energy: -16.937
Dist. restrs. and SS energy: -34.200 (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: 2
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -251.305641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.305641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.305641 (E_RNA)
where:
Base-Base interactions energy: -134.885
where: short stacking energy: -63.382
Base-Backbone interact. energy: 0.397
local terms energy: -80.818286
where:
bonds (distance) C4'-P energy: -21.261
bonds (distance) P-C4' energy: -21.038
flat angles C4'-P-C4' energy: -17.302
flat angles P-C4'-P energy: -14.361
tors. eta vs tors. theta energy: -6.856
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -418.777786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.777786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.377786 (E_RNA)
where:
Base-Base interactions energy: -248.391
where: short stacking energy: -101.372
Base-Backbone interact. energy: -1.107
local terms energy: -118.879812
where:
bonds (distance) C4'-P energy: -26.164
bonds (distance) P-C4' energy: -23.305
flat angles C4'-P-C4' energy: -20.984
flat angles P-C4'-P energy: -19.852
tors. eta vs tors. theta energy: -28.575
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -403.363444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.363444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.963444 (E_RNA)
where:
Base-Base interactions energy: -242.450
where: short stacking energy: -91.777
Base-Backbone interact. energy: -0.305
local terms energy: -110.208084
where:
bonds (distance) C4'-P energy: -18.567
bonds (distance) P-C4' energy: -22.700
flat angles C4'-P-C4' energy: -23.276
flat angles P-C4'-P energy: -19.542
tors. eta vs tors. theta energy: -26.124
Dist. restrs. and SS energy: -50.400 (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: 3
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -401.540161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.540161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.140161 (E_RNA)
where:
Base-Base interactions energy: -246.160
where: short stacking energy: -98.552
Base-Backbone interact. energy: -0.721
local terms energy: -104.258623
where:
bonds (distance) C4'-P energy: -15.465
bonds (distance) P-C4' energy: -23.714
flat angles C4'-P-C4' energy: -23.970
flat angles P-C4'-P energy: -16.162
tors. eta vs tors. theta energy: -24.948
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -375.679772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.679772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.879772 (E_RNA)
where:
Base-Base interactions energy: -226.027
where: short stacking energy: -86.712
Base-Backbone interact. energy: -0.982
local terms energy: -101.870911
where:
bonds (distance) C4'-P energy: -19.523
bonds (distance) P-C4' energy: -23.826
flat angles C4'-P-C4' energy: -23.723
flat angles P-C4'-P energy: -11.947
tors. eta vs tors. theta energy: -22.852
Dist. restrs. and SS energy: -46.800 (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: 1
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -338.219907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.219907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.619907 (E_RNA)
where:
Base-Base interactions energy: -193.411
where: short stacking energy: -64.189
Base-Backbone interact. energy: -0.513
local terms energy: -95.696800
where:
bonds (distance) C4'-P energy: -19.245
bonds (distance) P-C4' energy: -23.483
flat angles C4'-P-C4' energy: -22.354
flat angles P-C4'-P energy: -16.803
tors. eta vs tors. theta energy: -13.812
Dist. restrs. and SS energy: -48.600 (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: 9
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -297.534373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.534373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.534373 (E_RNA)
where:
Base-Base interactions energy: -166.066
where: short stacking energy: -77.811
Base-Backbone interact. energy: -0.360
local terms energy: -95.108390
where:
bonds (distance) C4'-P energy: -20.537
bonds (distance) P-C4' energy: -14.158
flat angles C4'-P-C4' energy: -23.907
flat angles P-C4'-P energy: -15.787
tors. eta vs tors. theta energy: -20.721
Dist. restrs. and SS energy: -36.000 (S_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: 170
Temperature: 1.200000
Total energy: -280.130408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.130408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.130408 (E_RNA)
where:
Base-Base interactions energy: -159.917
where: short stacking energy: -62.375
Base-Backbone interact. energy: -1.085
local terms energy: -83.127794
where:
bonds (distance) C4'-P energy: -23.924
bonds (distance) P-C4' energy: -16.751
flat angles C4'-P-C4' energy: -16.223
flat angles P-C4'-P energy: -12.895
tors. eta vs tors. theta energy: -13.335
Dist. restrs. and SS energy: -36.000 (S_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: 170
Temperature: 1.250000
Total energy: -290.429170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.429170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.429170 (E_RNA)
where:
Base-Base interactions energy: -171.523
where: short stacking energy: -62.735
Base-Backbone interact. energy: 1.192
local terms energy: -84.098555
where:
bonds (distance) C4'-P energy: -20.513
bonds (distance) P-C4' energy: -22.068
flat angles C4'-P-C4' energy: -17.730
flat angles P-C4'-P energy: -3.622
tors. eta vs tors. theta energy: -20.166
Dist. restrs. and SS energy: -36.000 (S_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: 170
Temperature: 1.300000
Total energy: -256.995248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.995248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.995248 (E_RNA)
where:
Base-Base interactions energy: -146.671
where: short stacking energy: -60.286
Base-Backbone interact. energy: 0.869
local terms energy: -75.193107
where:
bonds (distance) C4'-P energy: -16.474
bonds (distance) P-C4' energy: -17.485
flat angles C4'-P-C4' energy: -14.740
flat angles P-C4'-P energy: -10.097
tors. eta vs tors. theta energy: -16.398
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -253.115509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.115509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.915509 (E_RNA)
where:
Base-Base interactions energy: -147.631
where: short stacking energy: -58.338
Base-Backbone interact. energy: -0.212
local terms energy: -71.072189
where:
bonds (distance) C4'-P energy: -19.374
bonds (distance) P-C4' energy: -18.001
flat angles C4'-P-C4' energy: -16.933
flat angles P-C4'-P energy: -12.333
tors. eta vs tors. theta energy: -4.432
Dist. restrs. and SS energy: -34.200 (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: 5
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -415.190164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.190164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.590164 (E_RNA)
where:
Base-Base interactions energy: -254.044
where: short stacking energy: -97.034
Base-Backbone interact. energy: -0.038
local terms energy: -112.508747
where:
bonds (distance) C4'-P energy: -18.856
bonds (distance) P-C4' energy: -25.338
flat angles C4'-P-C4' energy: -22.471
flat angles P-C4'-P energy: -17.134
tors. eta vs tors. theta energy: -28.710
Dist. restrs. and SS energy: -48.600 (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: 3
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -401.672767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.672767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.672767 (E_RNA)
where:
Base-Base interactions energy: -246.252
where: short stacking energy: -84.246
Base-Backbone interact. energy: -0.535
local terms energy: -109.885107
where:
bonds (distance) C4'-P energy: -22.910
bonds (distance) P-C4' energy: -23.266
flat angles C4'-P-C4' energy: -20.356
flat angles P-C4'-P energy: -20.295
tors. eta vs tors. theta energy: -23.058
Dist. restrs. and SS energy: -45.000 (S_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: 171
Temperature: 1.000000
Total energy: -407.179904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.179904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.579904 (E_RNA)
where:
Base-Base interactions energy: -244.686
where: short stacking energy: -93.794
Base-Backbone interact. energy: -0.833
local terms energy: -113.061823
where:
bonds (distance) C4'-P energy: -24.312
bonds (distance) P-C4' energy: -22.928
flat angles C4'-P-C4' energy: -22.701
flat angles P-C4'-P energy: -12.754
tors. eta vs tors. theta energy: -30.367
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -348.538581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.538581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.138581 (E_RNA)
where:
Base-Base interactions energy: -205.754
where: short stacking energy: -84.488
Base-Backbone interact. energy: -0.671
local terms energy: -91.713568
where:
bonds (distance) C4'-P energy: -23.594
bonds (distance) P-C4' energy: -21.348
flat angles C4'-P-C4' energy: -18.752
flat angles P-C4'-P energy: -15.111
tors. eta vs tors. theta energy: -12.908
Dist. restrs. and SS energy: -50.400 (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: 171
Temperature: 1.100000
Total energy: -378.257859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.257859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.857859 (E_RNA)
where:
Base-Base interactions energy: -226.809
where: short stacking energy: -83.704
Base-Backbone interact. energy: -1.785
local terms energy: -99.263799
where:
bonds (distance) C4'-P energy: -23.307
bonds (distance) P-C4' energy: -15.817
flat angles C4'-P-C4' energy: -19.499
flat angles P-C4'-P energy: -14.571
tors. eta vs tors. theta energy: -26.070
Dist. restrs. and SS energy: -50.400 (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: 6
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -297.003153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.003153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.803153 (E_RNA)
where:
Base-Base interactions energy: -174.615
where: short stacking energy: -57.747
Base-Backbone interact. energy: -0.130
local terms energy: -79.057951
where:
bonds (distance) C4'-P energy: -21.916
bonds (distance) P-C4' energy: -22.793
flat angles C4'-P-C4' energy: -15.659
flat angles P-C4'-P energy: -9.176
tors. eta vs tors. theta energy: -9.514
Dist. restrs. and SS energy: -43.200 (S_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: 171
Temperature: 1.200000
Total energy: -316.201143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.201143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.001143 (E_RNA)
where:
Base-Base interactions energy: -187.050
where: short stacking energy: -93.969
Base-Backbone interact. energy: -0.105
local terms energy: -94.846028
where:
bonds (distance) C4'-P energy: -16.639
bonds (distance) P-C4' energy: -17.946
flat angles C4'-P-C4' energy: -22.193
flat angles P-C4'-P energy: -15.841
tors. eta vs tors. theta energy: -22.227
Dist. restrs. and SS energy: -34.200 (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: 171
Temperature: 1.250000
Total energy: -289.915078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.915078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.715078 (E_RNA)
where:
Base-Base interactions energy: -157.392
where: short stacking energy: -67.623
Base-Backbone interact. energy: -0.213
local terms energy: -98.110274
where:
bonds (distance) C4'-P energy: -23.580
bonds (distance) P-C4' energy: -20.814
flat angles C4'-P-C4' energy: -24.035
flat angles P-C4'-P energy: -16.959
tors. eta vs tors. theta energy: -12.722
Dist. restrs. and SS energy: -34.200 (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: 7
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -271.798100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.798100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.798100 (E_RNA)
where:
Base-Base interactions energy: -146.736
where: short stacking energy: -72.103
Base-Backbone interact. energy: -0.189
local terms energy: -88.872680
where:
bonds (distance) C4'-P energy: -16.279
bonds (distance) P-C4' energy: -20.252
flat angles C4'-P-C4' energy: -21.462
flat angles P-C4'-P energy: -13.745
tors. eta vs tors. theta energy: -17.135
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -252.752371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.752371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.952371 (E_RNA)
where:
Base-Base interactions energy: -146.554
where: short stacking energy: -69.969
Base-Backbone interact. energy: -0.252
local terms energy: -77.145637
where:
bonds (distance) C4'-P energy: -17.245
bonds (distance) P-C4' energy: -17.660
flat angles C4'-P-C4' energy: -14.912
flat angles P-C4'-P energy: -12.799
tors. eta vs tors. theta energy: -14.530
Dist. restrs. and SS energy: -28.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -418.537924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.537924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.137924 (E_RNA)
where:
Base-Base interactions energy: -250.460
where: short stacking energy: -97.485
Base-Backbone interact. energy: -1.810
local terms energy: -115.867674
where:
bonds (distance) C4'-P energy: -19.812
bonds (distance) P-C4' energy: -25.874
flat angles C4'-P-C4' energy: -22.869
flat angles P-C4'-P energy: -19.932
tors. eta vs tors. theta energy: -27.381
Dist. restrs. and SS energy: -50.400 (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: 172
Temperature: 0.950000
Total energy: -406.755439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.755439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.755439 (E_RNA)
where:
Base-Base interactions energy: -249.418
where: short stacking energy: -99.263
Base-Backbone interact. energy: -1.156
local terms energy: -111.181333
where:
bonds (distance) C4'-P energy: -25.079
bonds (distance) P-C4' energy: -26.082
flat angles C4'-P-C4' energy: -21.554
flat angles P-C4'-P energy: -10.298
tors. eta vs tors. theta energy: -28.168
Dist. restrs. and SS energy: -45.000 (S_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: 172
Temperature: 1.000000
Total energy: -400.966021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.966021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.566021 (E_RNA)
where:
Base-Base interactions energy: -243.869
where: short stacking energy: -98.415
Base-Backbone interact. energy: -0.495
local terms energy: -106.201935
where:
bonds (distance) C4'-P energy: -19.092
bonds (distance) P-C4' energy: -23.744
flat angles C4'-P-C4' energy: -25.329
flat angles P-C4'-P energy: -11.865
tors. eta vs tors. theta energy: -26.172
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -355.692256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.692256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.292256 (E_RNA)
where:
Base-Base interactions energy: -217.836
where: short stacking energy: -67.127
Base-Backbone interact. energy: -1.252
local terms energy: -86.204429
where:
bonds (distance) C4'-P energy: -17.172
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -22.873
flat angles P-C4'-P energy: -14.993
tors. eta vs tors. theta energy: -13.468
Dist. restrs. and SS energy: -50.400 (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: 172
Temperature: 1.100000
Total energy: -392.318165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.318165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.918165 (E_RNA)
where:
Base-Base interactions energy: -230.488
where: short stacking energy: -88.261
Base-Backbone interact. energy: -1.999
local terms energy: -109.431305
where:
bonds (distance) C4'-P energy: -14.886
bonds (distance) P-C4' energy: -25.053
flat angles C4'-P-C4' energy: -21.394
flat angles P-C4'-P energy: -17.632
tors. eta vs tors. theta energy: -30.467
Dist. restrs. and SS energy: -50.400 (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: 6
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -348.506623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.506623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.106623 (E_RNA)
where:
Base-Base interactions energy: -212.552
where: short stacking energy: -87.618
Base-Backbone interact. energy: -0.584
local terms energy: -84.970638
where:
bonds (distance) C4'-P energy: -13.573
bonds (distance) P-C4' energy: -16.119
flat angles C4'-P-C4' energy: -22.462
flat angles P-C4'-P energy: -16.525
tors. eta vs tors. theta energy: -16.292
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -320.818000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.818000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.818000 (E_RNA)
where:
Base-Base interactions energy: -191.848
where: short stacking energy: -81.022
Base-Backbone interact. energy: -0.338
local terms energy: -92.632329
where:
bonds (distance) C4'-P energy: -19.171
bonds (distance) P-C4' energy: -22.735
flat angles C4'-P-C4' energy: -19.607
flat angles P-C4'-P energy: -14.403
tors. eta vs tors. theta energy: -16.716
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -301.822695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.822695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.822695 (E_RNA)
where:
Base-Base interactions energy: -168.335
where: short stacking energy: -74.830
Base-Backbone interact. energy: -0.043
local terms energy: -97.444235
where:
bonds (distance) C4'-P energy: -23.270
bonds (distance) P-C4' energy: -15.919
flat angles C4'-P-C4' energy: -22.659
flat angles P-C4'-P energy: -16.525
tors. eta vs tors. theta energy: -19.072
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -266.724801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.724801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.724801 (E_RNA)
where:
Base-Base interactions energy: -156.816
where: short stacking energy: -62.990
Base-Backbone interact. energy: -0.210
local terms energy: -73.698684
where:
bonds (distance) C4'-P energy: -14.199
bonds (distance) P-C4' energy: -23.701
flat angles C4'-P-C4' energy: -17.075
flat angles P-C4'-P energy: -8.265
tors. eta vs tors. theta energy: -10.458
Dist. restrs. and SS energy: -36.000 (S_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: -245.220621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.220621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.220621 (E_RNA)
where:
Base-Base interactions energy: -131.400
where: short stacking energy: -44.892
Base-Backbone interact. energy: -0.232
local terms energy: -77.588317
where:
bonds (distance) C4'-P energy: -20.450
bonds (distance) P-C4' energy: -22.788
flat angles C4'-P-C4' energy: -18.031
flat angles P-C4'-P energy: -13.704
tors. eta vs tors. theta energy: -2.615
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -411.236813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.236813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.836813 (E_RNA)
where:
Base-Base interactions energy: -249.285
where: short stacking energy: -103.588
Base-Backbone interact. energy: -0.589
local terms energy: -110.962101
where:
bonds (distance) C4'-P energy: -24.378
bonds (distance) P-C4' energy: -24.442
flat angles C4'-P-C4' energy: -17.698
flat angles P-C4'-P energy: -15.534
tors. eta vs tors. theta energy: -28.910
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -406.309649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.309649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.909649 (E_RNA)
where:
Base-Base interactions energy: -245.515
where: short stacking energy: -93.241
Base-Backbone interact. energy: -1.254
local terms energy: -109.140738
where:
bonds (distance) C4'-P energy: -21.498
bonds (distance) P-C4' energy: -21.241
flat angles C4'-P-C4' energy: -23.123
flat angles P-C4'-P energy: -16.209
tors. eta vs tors. theta energy: -27.070
Dist. restrs. and SS energy: -50.400 (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: 3
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -398.529129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.529129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.729129 (E_RNA)
where:
Base-Base interactions energy: -245.382
where: short stacking energy: -86.733
Base-Backbone interact. energy: -0.730
local terms energy: -105.617553
where:
bonds (distance) C4'-P energy: -24.231
bonds (distance) P-C4' energy: -23.408
flat angles C4'-P-C4' energy: -17.494
flat angles P-C4'-P energy: -14.644
tors. eta vs tors. theta energy: -25.841
Dist. restrs. and SS energy: -46.800 (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: 8
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -391.816906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.816906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.416906 (E_RNA)
where:
Base-Base interactions energy: -238.585
where: short stacking energy: -102.988
Base-Backbone interact. energy: -0.610
local terms energy: -102.221775
where:
bonds (distance) C4'-P energy: -17.307
bonds (distance) P-C4' energy: -18.584
flat angles C4'-P-C4' energy: -23.004
flat angles P-C4'-P energy: -13.309
tors. eta vs tors. theta energy: -30.018
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -349.895122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.895122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.295122 (E_RNA)
where:
Base-Base interactions energy: -200.654
where: short stacking energy: -72.036
Base-Backbone interact. energy: -0.679
local terms energy: -99.962339
where:
bonds (distance) C4'-P energy: -19.820
bonds (distance) P-C4' energy: -17.340
flat angles C4'-P-C4' energy: -24.943
flat angles P-C4'-P energy: -20.442
tors. eta vs tors. theta energy: -17.417
Dist. restrs. and SS energy: -48.600 (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: 6
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -348.524643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.524643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.724643 (E_RNA)
where:
Base-Base interactions energy: -216.310
where: short stacking energy: -80.026
Base-Backbone interact. energy: -1.141
local terms energy: -84.273971
where:
bonds (distance) C4'-P energy: -24.116
bonds (distance) P-C4' energy: -11.622
flat angles C4'-P-C4' energy: -19.004
flat angles P-C4'-P energy: -11.984
tors. eta vs tors. theta energy: -17.548
Dist. restrs. and SS energy: -46.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -308.336890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.336890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.336890 (E_RNA)
where:
Base-Base interactions energy: -181.782
where: short stacking energy: -83.236
Base-Backbone interact. energy: -0.565
local terms energy: -89.989710
where:
bonds (distance) C4'-P energy: -15.080
bonds (distance) P-C4' energy: -22.377
flat angles C4'-P-C4' energy: -16.836
flat angles P-C4'-P energy: -15.766
tors. eta vs tors. theta energy: -19.930
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -298.115963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.115963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.915963 (E_RNA)
where:
Base-Base interactions energy: -174.466
where: short stacking energy: -81.446
Base-Backbone interact. energy: 0.767
local terms energy: -90.217128
where:
bonds (distance) C4'-P energy: -15.148
bonds (distance) P-C4' energy: -20.095
flat angles C4'-P-C4' energy: -16.826
flat angles P-C4'-P energy: -14.885
tors. eta vs tors. theta energy: -23.263
Dist. restrs. and SS energy: -34.200 (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: 2
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -261.105831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.105831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.905831 (E_RNA)
where:
Base-Base interactions energy: -146.423
where: short stacking energy: -67.852
Base-Backbone interact. energy: 0.547
local terms energy: -81.029294
where:
bonds (distance) C4'-P energy: -18.388
bonds (distance) P-C4' energy: -17.457
flat angles C4'-P-C4' energy: -12.307
flat angles P-C4'-P energy: -14.460
tors. eta vs tors. theta energy: -18.418
Dist. restrs. and SS energy: -34.200 (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: 173
Temperature: 1.350000
Total energy: -257.644482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.644482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.644482 (E_RNA)
where:
Base-Base interactions energy: -134.615
where: short stacking energy: -56.795
Base-Backbone interact. energy: -0.223
local terms energy: -86.807328
where:
bonds (distance) C4'-P energy: -13.168
bonds (distance) P-C4' energy: -24.274
flat angles C4'-P-C4' energy: -23.522
flat angles P-C4'-P energy: -8.937
tors. eta vs tors. theta energy: -16.907
Dist. restrs. and SS energy: -36.000 (S_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: -409.955534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.955534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.555534 (E_RNA)
where:
Base-Base interactions energy: -252.935
where: short stacking energy: -94.161
Base-Backbone interact. energy: -0.796
local terms energy: -105.823765
where:
bonds (distance) C4'-P energy: -21.758
bonds (distance) P-C4' energy: -19.099
flat angles C4'-P-C4' energy: -23.409
flat angles P-C4'-P energy: -13.003
tors. eta vs tors. theta energy: -28.554
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -414.459244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.459244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.059244 (E_RNA)
where:
Base-Base interactions energy: -267.955
where: short stacking energy: -105.191
Base-Backbone interact. energy: -1.435
local terms energy: -94.669364
where:
bonds (distance) C4'-P energy: -16.806
bonds (distance) P-C4' energy: -14.616
flat angles C4'-P-C4' energy: -23.983
flat angles P-C4'-P energy: -10.541
tors. eta vs tors. theta energy: -28.724
Dist. restrs. and SS energy: -50.400 (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: 174
Temperature: 1.000000
Total energy: -406.504594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.504594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.104594 (E_RNA)
where:
Base-Base interactions energy: -248.311
where: short stacking energy: -99.467
Base-Backbone interact. energy: -1.568
local terms energy: -106.225622
where:
bonds (distance) C4'-P energy: -17.866
bonds (distance) P-C4' energy: -18.536
flat angles C4'-P-C4' energy: -23.919
flat angles P-C4'-P energy: -14.988
tors. eta vs tors. theta energy: -30.917
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -385.014315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.014315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.614315 (E_RNA)
where:
Base-Base interactions energy: -230.757
where: short stacking energy: -91.163
Base-Backbone interact. energy: -0.737
local terms energy: -103.120025
where:
bonds (distance) C4'-P energy: -17.566
bonds (distance) P-C4' energy: -21.254
flat angles C4'-P-C4' energy: -23.416
flat angles P-C4'-P energy: -17.432
tors. eta vs tors. theta energy: -23.453
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -355.523314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.523314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.123314 (E_RNA)
where:
Base-Base interactions energy: -206.606
where: short stacking energy: -79.669
Base-Backbone interact. energy: -0.774
local terms energy: -97.743144
where:
bonds (distance) C4'-P energy: -17.796
bonds (distance) P-C4' energy: -23.670
flat angles C4'-P-C4' energy: -23.809
flat angles P-C4'-P energy: -13.435
tors. eta vs tors. theta energy: -19.033
Dist. restrs. and SS energy: -50.400 (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: 6
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -330.614654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.614654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.214654 (E_RNA)
where:
Base-Base interactions energy: -182.349
where: short stacking energy: -73.105
Base-Backbone interact. energy: 0.970
local terms energy: -98.835866
where:
bonds (distance) C4'-P energy: -18.913
bonds (distance) P-C4' energy: -26.181
flat angles C4'-P-C4' energy: -18.259
flat angles P-C4'-P energy: -20.258
tors. eta vs tors. theta energy: -15.224
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -301.468191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.468191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.468191 (E_RNA)
where:
Base-Base interactions energy: -159.780
where: short stacking energy: -75.537
Base-Backbone interact. energy: -0.183
local terms energy: -105.505115
where:
bonds (distance) C4'-P energy: -21.510
bonds (distance) P-C4' energy: -22.808
flat angles C4'-P-C4' energy: -20.238
flat angles P-C4'-P energy: -19.460
tors. eta vs tors. theta energy: -21.489
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -272.445125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.445125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.445125 (E_RNA)
where:
Base-Base interactions energy: -151.477
where: short stacking energy: -67.057
Base-Backbone interact. energy: -0.170
local terms energy: -84.798058
where:
bonds (distance) C4'-P energy: -16.991
bonds (distance) P-C4' energy: -19.336
flat angles C4'-P-C4' energy: -20.929
flat angles P-C4'-P energy: -12.620
tors. eta vs tors. theta energy: -14.922
Dist. restrs. and SS energy: -36.000 (S_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: 174
Temperature: 1.300000
Total energy: -260.841930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.841930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.841930 (E_RNA)
where:
Base-Base interactions energy: -143.533
where: short stacking energy: -65.149
Base-Backbone interact. energy: -0.294
local terms energy: -81.015125
where:
bonds (distance) C4'-P energy: -17.325
bonds (distance) P-C4' energy: -20.775
flat angles C4'-P-C4' energy: -21.640
flat angles P-C4'-P energy: -12.531
tors. eta vs tors. theta energy: -8.743
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -244.622464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.622464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.422464 (E_RNA)
where:
Base-Base interactions energy: -130.818
where: short stacking energy: -62.799
Base-Backbone interact. energy: -0.061
local terms energy: -79.543311
where:
bonds (distance) C4'-P energy: -15.265
bonds (distance) P-C4' energy: -16.190
flat angles C4'-P-C4' energy: -23.266
flat angles P-C4'-P energy: -13.794
tors. eta vs tors. theta energy: -11.029
Dist. restrs. and SS energy: -34.200 (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: 10
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -417.180931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.180931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.780931 (E_RNA)
where:
Base-Base interactions energy: -247.204
where: short stacking energy: -98.963
Base-Backbone interact. energy: -0.417
local terms energy: -119.160343
where:
bonds (distance) C4'-P energy: -21.684
bonds (distance) P-C4' energy: -24.286
flat angles C4'-P-C4' energy: -25.560
flat angles P-C4'-P energy: -16.596
tors. eta vs tors. theta energy: -31.034
Dist. restrs. and SS energy: -50.400 (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: 8
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -410.494959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.494959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.094959 (E_RNA)
where:
Base-Base interactions energy: -248.515
where: short stacking energy: -92.058
Base-Backbone interact. energy: -1.249
local terms energy: -110.331063
where:
bonds (distance) C4'-P energy: -23.746
bonds (distance) P-C4' energy: -23.210
flat angles C4'-P-C4' energy: -18.330
flat angles P-C4'-P energy: -17.160
tors. eta vs tors. theta energy: -27.885
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -408.414089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.414089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.814089 (E_RNA)
where:
Base-Base interactions energy: -240.205
where: short stacking energy: -99.617
Base-Backbone interact. energy: -2.291
local terms energy: -117.317615
where:
bonds (distance) C4'-P energy: -19.887
bonds (distance) P-C4' energy: -23.163
flat angles C4'-P-C4' energy: -25.483
flat angles P-C4'-P energy: -18.431
tors. eta vs tors. theta energy: -30.353
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -407.815520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.815520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.415520 (E_RNA)
where:
Base-Base interactions energy: -246.574
where: short stacking energy: -102.164
Base-Backbone interact. energy: -1.803
local terms energy: -109.039210
where:
bonds (distance) C4'-P energy: -24.053
bonds (distance) P-C4' energy: -19.282
flat angles C4'-P-C4' energy: -24.585
flat angles P-C4'-P energy: -11.742
tors. eta vs tors. theta energy: -29.377
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -349.006329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.006329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.606329 (E_RNA)
where:
Base-Base interactions energy: -210.316
where: short stacking energy: -86.231
Base-Backbone interact. energy: -0.262
local terms energy: -88.028438
where:
bonds (distance) C4'-P energy: -17.428
bonds (distance) P-C4' energy: -17.862
flat angles C4'-P-C4' energy: -21.895
flat angles P-C4'-P energy: -14.819
tors. eta vs tors. theta energy: -16.025
Dist. restrs. and SS energy: -50.400 (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: 4
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -284.335333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.335333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.335333 (E_RNA)
where:
Base-Base interactions energy: -144.970
where: short stacking energy: -62.821
Base-Backbone interact. energy: -0.143
local terms energy: -103.222526
where:
bonds (distance) C4'-P energy: -19.830
bonds (distance) P-C4' energy: -21.759
flat angles C4'-P-C4' energy: -22.343
flat angles P-C4'-P energy: -18.746
tors. eta vs tors. theta energy: -20.544
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -328.306025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.306025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.706025 (E_RNA)
where:
Base-Base interactions energy: -193.954
where: short stacking energy: -72.622
Base-Backbone interact. energy: -1.438
local terms energy: -84.314491
where:
bonds (distance) C4'-P energy: -11.881
bonds (distance) P-C4' energy: -18.345
flat angles C4'-P-C4' energy: -20.040
flat angles P-C4'-P energy: -14.215
tors. eta vs tors. theta energy: -19.833
Dist. restrs. and SS energy: -48.600 (S_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: 175
Temperature: 1.250000
Total energy: -272.888834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.888834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.888834 (E_RNA)
where:
Base-Base interactions energy: -148.972
where: short stacking energy: -74.694
Base-Backbone interact. energy: -0.564
local terms energy: -87.353466
where:
bonds (distance) C4'-P energy: -16.017
bonds (distance) P-C4' energy: -19.152
flat angles C4'-P-C4' energy: -22.839
flat angles P-C4'-P energy: -12.071
tors. eta vs tors. theta energy: -17.274
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -275.183440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.183440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.183440 (E_RNA)
where:
Base-Base interactions energy: -156.390
where: short stacking energy: -81.458
Base-Backbone interact. energy: -0.092
local terms energy: -82.701449
where:
bonds (distance) C4'-P energy: -13.351
bonds (distance) P-C4' energy: -21.691
flat angles C4'-P-C4' energy: -18.213
flat angles P-C4'-P energy: -9.170
tors. eta vs tors. theta energy: -20.277
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -237.572603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.572603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.172603 (E_RNA)
where:
Base-Base interactions energy: -129.064
where: short stacking energy: -56.726
Base-Backbone interact. energy: -0.256
local terms energy: -75.852508
where:
bonds (distance) C4'-P energy: -25.092
bonds (distance) P-C4' energy: -19.028
flat angles C4'-P-C4' energy: -13.377
flat angles P-C4'-P energy: -15.885
tors. eta vs tors. theta energy: -2.471
Dist. restrs. and SS energy: -32.400 (S_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: 176
Temperature: 0.900000
Total energy: -418.503384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.503384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.103384 (E_RNA)
where:
Base-Base interactions energy: -250.267
where: short stacking energy: -101.957
Base-Backbone interact. energy: -1.381
local terms energy: -116.455415
where:
bonds (distance) C4'-P energy: -22.442
bonds (distance) P-C4' energy: -22.834
flat angles C4'-P-C4' energy: -25.454
flat angles P-C4'-P energy: -15.780
tors. eta vs tors. theta energy: -29.945
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -409.982141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.982141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.582141 (E_RNA)
where:
Base-Base interactions energy: -249.596
where: short stacking energy: -99.257
Base-Backbone interact. energy: -0.203
local terms energy: -109.783237
where:
bonds (distance) C4'-P energy: -19.799
bonds (distance) P-C4' energy: -23.538
flat angles C4'-P-C4' energy: -24.381
flat angles P-C4'-P energy: -14.130
tors. eta vs tors. theta energy: -27.934
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -403.226613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.226613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.826613 (E_RNA)
where:
Base-Base interactions energy: -242.361
where: short stacking energy: -94.048
Base-Backbone interact. energy: -1.273
local terms energy: -109.192421
where:
bonds (distance) C4'-P energy: -17.237
bonds (distance) P-C4' energy: -19.165
flat angles C4'-P-C4' energy: -27.149
flat angles P-C4'-P energy: -15.801
tors. eta vs tors. theta energy: -29.841
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -403.618260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.618260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.018260 (E_RNA)
where:
Base-Base interactions energy: -246.157
where: short stacking energy: -89.971
Base-Backbone interact. energy: -0.646
local terms energy: -108.215457
where:
bonds (distance) C4'-P energy: -20.427
bonds (distance) P-C4' energy: -20.880
flat angles C4'-P-C4' energy: -21.260
flat angles P-C4'-P energy: -17.942
tors. eta vs tors. theta energy: -27.707
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -360.680097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.680097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.280097 (E_RNA)
where:
Base-Base interactions energy: -200.618
where: short stacking energy: -88.454
Base-Backbone interact. energy: 0.628
local terms energy: -110.290276
where:
bonds (distance) C4'-P energy: -19.057
bonds (distance) P-C4' energy: -25.313
flat angles C4'-P-C4' energy: -23.200
flat angles P-C4'-P energy: -19.164
tors. eta vs tors. theta energy: -23.556
Dist. restrs. and SS energy: -50.400 (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: 4
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -273.884227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.884227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.684227 (E_RNA)
where:
Base-Base interactions energy: -146.140
where: short stacking energy: -61.769
Base-Backbone interact. energy: -0.355
local terms energy: -93.189250
where:
bonds (distance) C4'-P energy: -20.218
bonds (distance) P-C4' energy: -23.423
flat angles C4'-P-C4' energy: -21.015
flat angles P-C4'-P energy: -18.710
tors. eta vs tors. theta energy: -9.823
Dist. restrs. and SS energy: -34.200 (S_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: 176
Temperature: 1.200000
Total energy: -284.873214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.873214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.673214 (E_RNA)
where:
Base-Base interactions energy: -155.443
where: short stacking energy: -63.993
Base-Backbone interact. energy: -0.582
local terms energy: -94.648319
where:
bonds (distance) C4'-P energy: -15.358
bonds (distance) P-C4' energy: -26.920
flat angles C4'-P-C4' energy: -23.254
flat angles P-C4'-P energy: -15.231
tors. eta vs tors. theta energy: -13.885
Dist. restrs. and SS energy: -34.200 (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: 6
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -296.662080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.662080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.462080 (E_RNA)
where:
Base-Base interactions energy: -162.092
where: short stacking energy: -60.181
Base-Backbone interact. energy: -0.762
local terms energy: -90.607529
where:
bonds (distance) C4'-P energy: -22.769
bonds (distance) P-C4' energy: -21.816
flat angles C4'-P-C4' energy: -19.238
flat angles P-C4'-P energy: -17.658
tors. eta vs tors. theta energy: -9.126
Dist. restrs. and SS energy: -43.200 (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: 2
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -253.372003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.372003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.372003 (E_RNA)
where:
Base-Base interactions energy: -128.188
where: short stacking energy: -59.862
Base-Backbone interact. energy: -0.186
local terms energy: -88.997338
where:
bonds (distance) C4'-P energy: -17.933
bonds (distance) P-C4' energy: -18.586
flat angles C4'-P-C4' energy: -22.966
flat angles P-C4'-P energy: -15.738
tors. eta vs tors. theta energy: -13.774
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -283.107935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.107935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.107935 (E_RNA)
where:
Base-Base interactions energy: -154.482
where: short stacking energy: -70.613
Base-Backbone interact. energy: -0.240
local terms energy: -92.385962
where:
bonds (distance) C4'-P energy: -20.227
bonds (distance) P-C4' energy: -22.431
flat angles C4'-P-C4' energy: -21.902
flat angles P-C4'-P energy: -12.475
tors. eta vs tors. theta energy: -15.351
Dist. restrs. and SS energy: -36.000 (S_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: 177
Temperature: 0.900000
Total energy: -421.438695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.438695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.838695 (E_RNA)
where:
Base-Base interactions energy: -262.475
where: short stacking energy: -100.582
Base-Backbone interact. energy: -0.089
local terms energy: -110.274499
where:
bonds (distance) C4'-P energy: -19.511
bonds (distance) P-C4' energy: -22.129
flat angles C4'-P-C4' energy: -24.647
flat angles P-C4'-P energy: -14.548
tors. eta vs tors. theta energy: -29.439
Dist. restrs. and SS energy: -48.600 (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: 5
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -414.110060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.110060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.310060 (E_RNA)
where:
Base-Base interactions energy: -252.735
where: short stacking energy: -99.801
Base-Backbone interact. energy: -1.833
local terms energy: -112.741346
where:
bonds (distance) C4'-P energy: -26.308
bonds (distance) P-C4' energy: -17.823
flat angles C4'-P-C4' energy: -22.691
flat angles P-C4'-P energy: -14.962
tors. eta vs tors. theta energy: -30.957
Dist. restrs. and SS energy: -46.800 (S_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: -409.238792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.238792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.838792 (E_RNA)
where:
Base-Base interactions energy: -249.538
where: short stacking energy: -98.101
Base-Backbone interact. energy: -0.903
local terms energy: -108.398129
where:
bonds (distance) C4'-P energy: -21.896
bonds (distance) P-C4' energy: -21.923
flat angles C4'-P-C4' energy: -23.376
flat angles P-C4'-P energy: -15.240
tors. eta vs tors. theta energy: -25.963
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -396.225120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.225120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.425120 (E_RNA)
where:
Base-Base interactions energy: -239.562
where: short stacking energy: -94.269
Base-Backbone interact. energy: -0.360
local terms energy: -109.502394
where:
bonds (distance) C4'-P energy: -21.354
bonds (distance) P-C4' energy: -18.216
flat angles C4'-P-C4' energy: -22.277
flat angles P-C4'-P energy: -19.299
tors. eta vs tors. theta energy: -28.356
Dist. restrs. and SS energy: -46.800 (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: 1
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -347.728809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.728809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.328809 (E_RNA)
where:
Base-Base interactions energy: -197.783
where: short stacking energy: -86.109
Base-Backbone interact. energy: -0.087
local terms energy: -99.458811
where:
bonds (distance) C4'-P energy: -22.217
bonds (distance) P-C4' energy: -19.114
flat angles C4'-P-C4' energy: -18.639
flat angles P-C4'-P energy: -18.380
tors. eta vs tors. theta energy: -21.109
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -310.359484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.359484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.359484 (E_RNA)
where:
Base-Base interactions energy: -174.484
where: short stacking energy: -72.251
Base-Backbone interact. energy: 0.308
local terms energy: -100.182955
where:
bonds (distance) C4'-P energy: -16.835
bonds (distance) P-C4' energy: -20.728
flat angles C4'-P-C4' energy: -20.635
flat angles P-C4'-P energy: -18.713
tors. eta vs tors. theta energy: -23.272
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -295.446766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.446766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.246766 (E_RNA)
where:
Base-Base interactions energy: -160.157
where: short stacking energy: -70.183
Base-Backbone interact. energy: 0.427
local terms energy: -101.517018
where:
bonds (distance) C4'-P energy: -21.237
bonds (distance) P-C4' energy: -23.070
flat angles C4'-P-C4' energy: -20.546
flat angles P-C4'-P energy: -18.279
tors. eta vs tors. theta energy: -18.384
Dist. restrs. and SS energy: -34.200 (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: 2
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -264.329165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.329165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.329165 (E_RNA)
where:
Base-Base interactions energy: -140.702
where: short stacking energy: -69.570
Base-Backbone interact. energy: -0.227
local terms energy: -87.400067
where:
bonds (distance) C4'-P energy: -21.506
bonds (distance) P-C4' energy: -19.332
flat angles C4'-P-C4' energy: -21.521
flat angles P-C4'-P energy: -11.528
tors. eta vs tors. theta energy: -13.513
Dist. restrs. and SS energy: -36.000 (S_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: 177
Temperature: 1.300000
Total energy: -274.750987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.750987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.550987 (E_RNA)
where:
Base-Base interactions energy: -155.473
where: short stacking energy: -70.525
Base-Backbone interact. energy: -0.512
local terms energy: -84.565636
where:
bonds (distance) C4'-P energy: -18.815
bonds (distance) P-C4' energy: -20.415
flat angles C4'-P-C4' energy: -18.908
flat angles P-C4'-P energy: -8.505
tors. eta vs tors. theta energy: -17.922
Dist. restrs. and SS energy: -34.200 (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: 9
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -238.905297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.905297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.905297 (E_RNA)
where:
Base-Base interactions energy: -135.418
where: short stacking energy: -62.929
Base-Backbone interact. energy: 0.551
local terms energy: -68.038572
where:
bonds (distance) C4'-P energy: -16.112
bonds (distance) P-C4' energy: -21.300
flat angles C4'-P-C4' energy: -11.956
flat angles P-C4'-P energy: -10.046
tors. eta vs tors. theta energy: -8.623
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -416.500653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.500653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.100653 (E_RNA)
where:
Base-Base interactions energy: -243.780
where: short stacking energy: -98.481
Base-Backbone interact. energy: -1.482
local terms energy: -120.838834
where:
bonds (distance) C4'-P energy: -24.209
bonds (distance) P-C4' energy: -25.465
flat angles C4'-P-C4' energy: -26.264
flat angles P-C4'-P energy: -18.469
tors. eta vs tors. theta energy: -26.432
Dist. restrs. and SS energy: -50.400 (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: 8
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -411.652622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.652622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.252622 (E_RNA)
where:
Base-Base interactions energy: -246.136
where: short stacking energy: -105.249
Base-Backbone interact. energy: -1.697
local terms energy: -113.419898
where:
bonds (distance) C4'-P energy: -20.226
bonds (distance) P-C4' energy: -18.312
flat angles C4'-P-C4' energy: -25.025
flat angles P-C4'-P energy: -20.177
tors. eta vs tors. theta energy: -29.679
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -408.432251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.432251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.032251 (E_RNA)
where:
Base-Base interactions energy: -249.213
where: short stacking energy: -110.329
Base-Backbone interact. energy: -2.332
local terms energy: -106.487801
where:
bonds (distance) C4'-P energy: -24.603
bonds (distance) P-C4' energy: -16.792
flat angles C4'-P-C4' energy: -17.482
flat angles P-C4'-P energy: -18.826
tors. eta vs tors. theta energy: -28.784
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -400.644905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.644905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.244905 (E_RNA)
where:
Base-Base interactions energy: -239.731
where: short stacking energy: -94.189
Base-Backbone interact. energy: -0.566
local terms energy: -109.948210
where:
bonds (distance) C4'-P energy: -22.913
bonds (distance) P-C4' energy: -23.831
flat angles C4'-P-C4' energy: -23.046
flat angles P-C4'-P energy: -17.541
tors. eta vs tors. theta energy: -22.617
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -354.095458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.095458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.695458 (E_RNA)
where:
Base-Base interactions energy: -204.140
where: short stacking energy: -84.552
Base-Backbone interact. energy: -1.430
local terms energy: -98.125781
where:
bonds (distance) C4'-P energy: -22.479
bonds (distance) P-C4' energy: -15.857
flat angles C4'-P-C4' energy: -20.273
flat angles P-C4'-P energy: -16.422
tors. eta vs tors. theta energy: -23.095
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -301.287750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.287750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.287750 (E_RNA)
where:
Base-Base interactions energy: -176.865
where: short stacking energy: -73.224
Base-Backbone interact. energy: -0.301
local terms energy: -88.120887
where:
bonds (distance) C4'-P energy: -22.091
bonds (distance) P-C4' energy: -22.101
flat angles C4'-P-C4' energy: -19.235
flat angles P-C4'-P energy: -9.688
tors. eta vs tors. theta energy: -15.006
Dist. restrs. and SS energy: -36.000 (S_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: 178
Temperature: 1.200000
Total energy: -282.917587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.917587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.517587 (E_RNA)
where:
Base-Base interactions energy: -151.403
where: short stacking energy: -62.720
Base-Backbone interact. energy: -0.450
local terms energy: -98.664008
where:
bonds (distance) C4'-P energy: -20.077
bonds (distance) P-C4' energy: -25.142
flat angles C4'-P-C4' energy: -20.883
flat angles P-C4'-P energy: -16.368
tors. eta vs tors. theta energy: -16.195
Dist. restrs. and SS energy: -32.400 (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: 4
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -264.005605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.005605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.005605 (E_RNA)
where:
Base-Base interactions energy: -142.046
where: short stacking energy: -75.124
Base-Backbone interact. energy: -0.792
local terms energy: -85.167173
where:
bonds (distance) C4'-P energy: -18.737
bonds (distance) P-C4' energy: -17.265
flat angles C4'-P-C4' energy: -20.701
flat angles P-C4'-P energy: -16.050
tors. eta vs tors. theta energy: -12.414
Dist. restrs. and SS energy: -36.000 (S_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: 178
Temperature: 1.300000
Total energy: -283.356478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.356478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.356478 (E_RNA)
where:
Base-Base interactions energy: -153.825
where: short stacking energy: -58.357
Base-Backbone interact. energy: -0.060
local terms energy: -93.471440
where:
bonds (distance) C4'-P energy: -13.829
bonds (distance) P-C4' energy: -19.351
flat angles C4'-P-C4' energy: -24.998
flat angles P-C4'-P energy: -18.671
tors. eta vs tors. theta energy: -16.622
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -250.602745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.602745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.602745 (E_RNA)
where:
Base-Base interactions energy: -134.186
where: short stacking energy: -51.099
Base-Backbone interact. energy: -0.243
local terms energy: -80.173946
where:
bonds (distance) C4'-P energy: -20.853
bonds (distance) P-C4' energy: -17.007
flat angles C4'-P-C4' energy: -23.103
flat angles P-C4'-P energy: -5.256
tors. eta vs tors. theta energy: -13.955
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -413.882533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.882533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.482533 (E_RNA)
where:
Base-Base interactions energy: -245.193
where: short stacking energy: -96.698
Base-Backbone interact. energy: -0.655
local terms energy: -117.633829
where:
bonds (distance) C4'-P energy: -21.768
bonds (distance) P-C4' energy: -24.619
flat angles C4'-P-C4' energy: -24.423
flat angles P-C4'-P energy: -19.691
tors. eta vs tors. theta energy: -27.133
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -407.481813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.481813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.881813 (E_RNA)
where:
Base-Base interactions energy: -245.309
where: short stacking energy: -97.344
Base-Backbone interact. energy: -0.706
local terms energy: -112.866773
where:
bonds (distance) C4'-P energy: -21.797
bonds (distance) P-C4' energy: -21.271
flat angles C4'-P-C4' energy: -23.355
flat angles P-C4'-P energy: -18.713
tors. eta vs tors. theta energy: -27.731
Dist. restrs. and SS energy: -48.600 (S_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: 179
Temperature: 1.000000
Total energy: -399.994455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.994455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.794455 (E_RNA)
where:
Base-Base interactions energy: -237.173
where: short stacking energy: -97.781
Base-Backbone interact. energy: -2.011
local terms energy: -117.611088
where:
bonds (distance) C4'-P energy: -25.053
bonds (distance) P-C4' energy: -19.882
flat angles C4'-P-C4' energy: -23.655
flat angles P-C4'-P energy: -19.496
tors. eta vs tors. theta energy: -29.524
Dist. restrs. and SS energy: -43.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -397.050716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.050716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.450716 (E_RNA)
where:
Base-Base interactions energy: -240.197
where: short stacking energy: -96.205
Base-Backbone interact. energy: -1.370
local terms energy: -106.883909
where:
bonds (distance) C4'-P energy: -15.433
bonds (distance) P-C4' energy: -24.575
flat angles C4'-P-C4' energy: -21.848
flat angles P-C4'-P energy: -19.743
tors. eta vs tors. theta energy: -25.286
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -356.965022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.965022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.565022 (E_RNA)
where:
Base-Base interactions energy: -208.951
where: short stacking energy: -96.443
Base-Backbone interact. energy: 1.879
local terms energy: -99.493163
where:
bonds (distance) C4'-P energy: -16.015
bonds (distance) P-C4' energy: -25.604
flat angles C4'-P-C4' energy: -22.401
flat angles P-C4'-P energy: -11.991
tors. eta vs tors. theta energy: -23.482
Dist. restrs. and SS energy: -50.400 (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: 179
Temperature: 1.150000
Total energy: -304.750475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.750475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.750475 (E_RNA)
where:
Base-Base interactions energy: -174.136
where: short stacking energy: -87.926
Base-Backbone interact. energy: -0.130
local terms energy: -94.484723
where:
bonds (distance) C4'-P energy: -17.970
bonds (distance) P-C4' energy: -24.063
flat angles C4'-P-C4' energy: -20.927
flat angles P-C4'-P energy: -10.810
tors. eta vs tors. theta energy: -20.715
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -286.609612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.609612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.609612 (E_RNA)
where:
Base-Base interactions energy: -163.601
where: short stacking energy: -67.896
Base-Backbone interact. energy: -0.473
local terms energy: -86.535967
where:
bonds (distance) C4'-P energy: -16.526
bonds (distance) P-C4' energy: -21.024
flat angles C4'-P-C4' energy: -17.620
flat angles P-C4'-P energy: -11.926
tors. eta vs tors. theta energy: -19.440
Dist. restrs. and SS energy: -36.000 (S_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: 179
Temperature: 1.250000
Total energy: -274.837896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.837896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.037896 (E_RNA)
where:
Base-Base interactions energy: -156.939
where: short stacking energy: -62.925
Base-Backbone interact. energy: -0.324
local terms energy: -79.774344
where:
bonds (distance) C4'-P energy: -20.541
bonds (distance) P-C4' energy: -18.548
flat angles C4'-P-C4' energy: -17.678
flat angles P-C4'-P energy: -10.944
tors. eta vs tors. theta energy: -12.063
Dist. restrs. and SS energy: -37.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -254.832485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.832485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.832485 (E_RNA)
where:
Base-Base interactions energy: -137.498
where: short stacking energy: -53.816
Base-Backbone interact. energy: -0.512
local terms energy: -80.822516
where:
bonds (distance) C4'-P energy: -21.978
bonds (distance) P-C4' energy: -20.343
flat angles C4'-P-C4' energy: -19.660
flat angles P-C4'-P energy: -13.977
tors. eta vs tors. theta energy: -4.864
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -260.714714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.714714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.514714 (E_RNA)
where:
Base-Base interactions energy: -141.719
where: short stacking energy: -55.985
Base-Backbone interact. energy: -0.104
local terms energy: -84.691775
where:
bonds (distance) C4'-P energy: -21.573
bonds (distance) P-C4' energy: -20.795
flat angles C4'-P-C4' energy: -21.800
flat angles P-C4'-P energy: -10.743
tors. eta vs tors. theta energy: -9.780
Dist. restrs. and SS energy: -34.200 (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: 5
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -413.658504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.658504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.258504 (E_RNA)
where:
Base-Base interactions energy: -246.158
where: short stacking energy: -95.766
Base-Backbone interact. energy: -1.342
local terms energy: -115.758279
where:
bonds (distance) C4'-P energy: -24.187
bonds (distance) P-C4' energy: -23.704
flat angles C4'-P-C4' energy: -21.458
flat angles P-C4'-P energy: -19.125
tors. eta vs tors. theta energy: -27.285
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -412.667414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.667414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.067414 (E_RNA)
where:
Base-Base interactions energy: -252.100
where: short stacking energy: -98.535
Base-Backbone interact. energy: -0.080
local terms energy: -111.887187
where:
bonds (distance) C4'-P energy: -22.319
bonds (distance) P-C4' energy: -23.415
flat angles C4'-P-C4' energy: -23.422
flat angles P-C4'-P energy: -14.914
tors. eta vs tors. theta energy: -27.817
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -400.619659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.619659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.219659 (E_RNA)
where:
Base-Base interactions energy: -241.281
where: short stacking energy: -82.019
Base-Backbone interact. energy: 1.238
local terms energy: -110.176122
where:
bonds (distance) C4'-P energy: -19.436
bonds (distance) P-C4' energy: -25.515
flat angles C4'-P-C4' energy: -22.160
flat angles P-C4'-P energy: -17.691
tors. eta vs tors. theta energy: -25.374
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -397.639217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.639217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.239217 (E_RNA)
where:
Base-Base interactions energy: -244.057
where: short stacking energy: -96.229
Base-Backbone interact. energy: -0.387
local terms energy: -102.795246
where:
bonds (distance) C4'-P energy: -21.006
bonds (distance) P-C4' energy: -20.372
flat angles C4'-P-C4' energy: -17.611
flat angles P-C4'-P energy: -16.167
tors. eta vs tors. theta energy: -27.639
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -348.583562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.583562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.183562 (E_RNA)
where:
Base-Base interactions energy: -205.778
where: short stacking energy: -74.201
Base-Backbone interact. energy: -0.273
local terms energy: -92.132605
where:
bonds (distance) C4'-P energy: -23.419
bonds (distance) P-C4' energy: -21.922
flat angles C4'-P-C4' energy: -19.365
flat angles P-C4'-P energy: -14.138
tors. eta vs tors. theta energy: -13.290
Dist. restrs. and SS energy: -50.400 (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: 180
Temperature: 1.150000
Total energy: -302.928096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.928096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.728096 (E_RNA)
where:
Base-Base interactions energy: -177.437
where: short stacking energy: -71.734
Base-Backbone interact. energy: -0.259
local terms energy: -91.033012
where:
bonds (distance) C4'-P energy: -20.804
bonds (distance) P-C4' energy: -15.587
flat angles C4'-P-C4' energy: -25.946
flat angles P-C4'-P energy: -13.959
tors. eta vs tors. theta energy: -14.737
Dist. restrs. and SS energy: -34.200 (S_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: -281.188548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.188548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.188548 (E_RNA)
where:
Base-Base interactions energy: -165.560
where: short stacking energy: -72.931
Base-Backbone interact. energy: -0.184
local terms energy: -79.443972
where:
bonds (distance) C4'-P energy: -12.022
bonds (distance) P-C4' energy: -13.656
flat angles C4'-P-C4' energy: -21.739
flat angles P-C4'-P energy: -14.894
tors. eta vs tors. theta energy: -17.133
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -291.526866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.526866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.326866 (E_RNA)
where:
Base-Base interactions energy: -164.347
where: short stacking energy: -80.362
Base-Backbone interact. energy: -0.230
local terms energy: -92.749476
where:
bonds (distance) C4'-P energy: -15.677
bonds (distance) P-C4' energy: -23.123
flat angles C4'-P-C4' energy: -20.669
flat angles P-C4'-P energy: -14.463
tors. eta vs tors. theta energy: -18.818
Dist. restrs. and SS energy: -34.200 (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: 4
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -257.874489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.874489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.874489 (E_RNA)
where:
Base-Base interactions energy: -145.309
where: short stacking energy: -58.245
Base-Backbone interact. energy: 1.174
local terms energy: -77.739922
where:
bonds (distance) C4'-P energy: -16.865
bonds (distance) P-C4' energy: -23.538
flat angles C4'-P-C4' energy: -16.867
flat angles P-C4'-P energy: -10.205
tors. eta vs tors. theta energy: -10.265
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -257.885865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.885865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.885865 (E_RNA)
where:
Base-Base interactions energy: -146.449
where: short stacking energy: -61.820
Base-Backbone interact. energy: 0.082
local terms energy: -75.518499
where:
bonds (distance) C4'-P energy: -12.134
bonds (distance) P-C4' energy: -24.047
flat angles C4'-P-C4' energy: -17.557
flat angles P-C4'-P energy: -10.568
tors. eta vs tors. theta energy: -11.212
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -413.466043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.466043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.066043 (E_RNA)
where:
Base-Base interactions energy: -249.234
where: short stacking energy: -96.158
Base-Backbone interact. energy: -0.543
local terms energy: -113.289390
where:
bonds (distance) C4'-P energy: -22.959
bonds (distance) P-C4' energy: -26.755
flat angles C4'-P-C4' energy: -18.868
flat angles P-C4'-P energy: -18.341
tors. eta vs tors. theta energy: -26.366
Dist. restrs. and SS energy: -50.400 (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: 181
Temperature: 0.950000
Total energy: -394.998283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.998283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.398283 (E_RNA)
where:
Base-Base interactions energy: -237.858
where: short stacking energy: -93.269
Base-Backbone interact. energy: 0.740
local terms energy: -109.280634
where:
bonds (distance) C4'-P energy: -22.412
bonds (distance) P-C4' energy: -26.974
flat angles C4'-P-C4' energy: -21.941
flat angles P-C4'-P energy: -12.194
tors. eta vs tors. theta energy: -25.760
Dist. restrs. and SS energy: -48.600 (S_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: 181
Temperature: 1.000000
Total energy: -414.186861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.186861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.786861 (E_RNA)
where:
Base-Base interactions energy: -252.751
where: short stacking energy: -94.740
Base-Backbone interact. energy: -0.489
local terms energy: -110.546199
where:
bonds (distance) C4'-P energy: -21.389
bonds (distance) P-C4' energy: -19.358
flat angles C4'-P-C4' energy: -26.051
flat angles P-C4'-P energy: -17.302
tors. eta vs tors. theta energy: -26.446
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -402.078515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.078515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.678515 (E_RNA)
where:
Base-Base interactions energy: -239.656
where: short stacking energy: -105.305
Base-Backbone interact. energy: 0.223
local terms energy: -112.245403
where:
bonds (distance) C4'-P energy: -20.653
bonds (distance) P-C4' energy: -18.891
flat angles C4'-P-C4' energy: -26.669
flat angles P-C4'-P energy: -16.310
tors. eta vs tors. theta energy: -29.723
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -361.332848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.332848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.932848 (E_RNA)
where:
Base-Base interactions energy: -210.823
where: short stacking energy: -90.986
Base-Backbone interact. energy: -0.356
local terms energy: -99.754157
where:
bonds (distance) C4'-P energy: -22.075
bonds (distance) P-C4' energy: -23.824
flat angles C4'-P-C4' energy: -22.693
flat angles P-C4'-P energy: -9.880
tors. eta vs tors. theta energy: -21.281
Dist. restrs. and SS energy: -50.400 (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: 181
Temperature: 1.150000
Total energy: -291.194834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.194834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.194834 (E_RNA)
where:
Base-Base interactions energy: -170.269
where: short stacking energy: -69.006
Base-Backbone interact. energy: 3.940
local terms energy: -88.865570
where:
bonds (distance) C4'-P energy: -13.684
bonds (distance) P-C4' energy: -20.396
flat angles C4'-P-C4' energy: -22.093
flat angles P-C4'-P energy: -15.702
tors. eta vs tors. theta energy: -16.991
Dist. restrs. and SS energy: -36.000 (S_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: -285.185997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.185997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.985997 (E_RNA)
where:
Base-Base interactions energy: -170.214
where: short stacking energy: -65.497
Base-Backbone interact. energy: -0.748
local terms energy: -80.024020
where:
bonds (distance) C4'-P energy: -10.395
bonds (distance) P-C4' energy: -18.915
flat angles C4'-P-C4' energy: -20.006
flat angles P-C4'-P energy: -14.148
tors. eta vs tors. theta energy: -16.560
Dist. restrs. and SS energy: -34.200 (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: 181
Temperature: 1.250000
Total energy: -279.360774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.360774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.360774 (E_RNA)
where:
Base-Base interactions energy: -149.778
where: short stacking energy: -75.981
Base-Backbone interact. energy: -0.301
local terms energy: -93.282343
where:
bonds (distance) C4'-P energy: -20.947
bonds (distance) P-C4' energy: -21.514
flat angles C4'-P-C4' energy: -20.871
flat angles P-C4'-P energy: -11.226
tors. eta vs tors. theta energy: -18.723
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -263.136028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.136028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.136028 (E_RNA)
where:
Base-Base interactions energy: -144.404
where: short stacking energy: -62.085
Base-Backbone interact. energy: -0.088
local terms energy: -82.644230
where:
bonds (distance) C4'-P energy: -16.351
bonds (distance) P-C4' energy: -24.376
flat angles C4'-P-C4' energy: -20.474
flat angles P-C4'-P energy: -10.270
tors. eta vs tors. theta energy: -11.173
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -243.729534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.729534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.329534 (E_RNA)
where:
Base-Base interactions energy: -130.064
where: short stacking energy: -58.393
Base-Backbone interact. energy: 3.273
local terms energy: -84.537854
where:
bonds (distance) C4'-P energy: -24.015
bonds (distance) P-C4' energy: -13.491
flat angles C4'-P-C4' energy: -21.720
flat angles P-C4'-P energy: -12.833
tors. eta vs tors. theta energy: -12.480
Dist. restrs. and SS energy: -32.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -407.564397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.564397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.164397 (E_RNA)
where:
Base-Base interactions energy: -256.778
where: short stacking energy: -99.307
Base-Backbone interact. energy: -0.908
local terms energy: -99.478442
where:
bonds (distance) C4'-P energy: -19.324
bonds (distance) P-C4' energy: -24.084
flat angles C4'-P-C4' energy: -19.391
flat angles P-C4'-P energy: -11.594
tors. eta vs tors. theta energy: -25.084
Dist. restrs. and SS energy: -50.400 (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: 182
Temperature: 0.950000
Total energy: -407.542185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.542185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.142185 (E_RNA)
where:
Base-Base interactions energy: -250.535
where: short stacking energy: -95.472
Base-Backbone interact. energy: -0.537
local terms energy: -106.069970
where:
bonds (distance) C4'-P energy: -19.167
bonds (distance) P-C4' energy: -18.230
flat angles C4'-P-C4' energy: -22.724
flat angles P-C4'-P energy: -16.437
tors. eta vs tors. theta energy: -29.512
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -395.773431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.773431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.173431 (E_RNA)
where:
Base-Base interactions energy: -231.937
where: short stacking energy: -96.704
Base-Backbone interact. energy: -0.599
local terms energy: -114.638094
where:
bonds (distance) C4'-P energy: -25.857
bonds (distance) P-C4' energy: -21.366
flat angles C4'-P-C4' energy: -25.112
flat angles P-C4'-P energy: -18.051
tors. eta vs tors. theta energy: -24.253
Dist. restrs. and SS energy: -48.600 (S_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: 182
Temperature: 1.050000
Total energy: -389.907647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.907647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.507647 (E_RNA)
where:
Base-Base interactions energy: -235.263
where: short stacking energy: -89.686
Base-Backbone interact. energy: -0.568
local terms energy: -103.676189
where:
bonds (distance) C4'-P energy: -21.395
bonds (distance) P-C4' energy: -24.262
flat angles C4'-P-C4' energy: -21.412
flat angles P-C4'-P energy: -10.454
tors. eta vs tors. theta energy: -26.154
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -346.061131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.061131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.661131 (E_RNA)
where:
Base-Base interactions energy: -212.359
where: short stacking energy: -77.272
Base-Backbone interact. energy: -1.204
local terms energy: -82.098035
where:
bonds (distance) C4'-P energy: -15.230
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -22.879
flat angles P-C4'-P energy: -16.959
tors. eta vs tors. theta energy: -10.866
Dist. restrs. and SS energy: -50.400 (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: 182
Temperature: 1.150000
Total energy: -292.524364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.524364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.524364 (E_RNA)
where:
Base-Base interactions energy: -161.319
where: short stacking energy: -71.548
Base-Backbone interact. energy: -0.374
local terms energy: -94.831929
where:
bonds (distance) C4'-P energy: -20.943
bonds (distance) P-C4' energy: -22.792
flat angles C4'-P-C4' energy: -17.646
flat angles P-C4'-P energy: -13.156
tors. eta vs tors. theta energy: -20.295
Dist. restrs. and SS energy: -36.000 (S_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: -294.140330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.140330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.740330 (E_RNA)
where:
Base-Base interactions energy: -171.435
where: short stacking energy: -82.714
Base-Backbone interact. energy: -0.523
local terms energy: -89.782377
where:
bonds (distance) C4'-P energy: -17.704
bonds (distance) P-C4' energy: -15.215
flat angles C4'-P-C4' energy: -23.500
flat angles P-C4'-P energy: -11.933
tors. eta vs tors. theta energy: -21.430
Dist. restrs. and SS energy: -32.400 (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: 4
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -265.468589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.468589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.468589 (E_RNA)
where:
Base-Base interactions energy: -150.974
where: short stacking energy: -61.996
Base-Backbone interact. energy: -0.488
local terms energy: -78.006395
where:
bonds (distance) C4'-P energy: -17.578
bonds (distance) P-C4' energy: -22.841
flat angles C4'-P-C4' energy: -14.027
flat angles P-C4'-P energy: -12.922
tors. eta vs tors. theta energy: -10.638
Dist. restrs. and SS energy: -36.000 (S_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: 182
Temperature: 1.300000
Total energy: -258.710694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.710694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.710694 (E_RNA)
where:
Base-Base interactions energy: -150.816
where: short stacking energy: -75.193
Base-Backbone interact. energy: -0.673
local terms energy: -71.221292
where:
bonds (distance) C4'-P energy: -8.014
bonds (distance) P-C4' energy: -15.616
flat angles C4'-P-C4' energy: -15.428
flat angles P-C4'-P energy: -18.080
tors. eta vs tors. theta energy: -14.084
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -267.461150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.461150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.061150 (E_RNA)
where:
Base-Base interactions energy: -154.711
where: short stacking energy: -69.026
Base-Backbone interact. energy: -0.184
local terms energy: -80.166387
where:
bonds (distance) C4'-P energy: -21.387
bonds (distance) P-C4' energy: -23.572
flat angles C4'-P-C4' energy: -10.500
flat angles P-C4'-P energy: -9.798
tors. eta vs tors. theta energy: -14.909
Dist. restrs. and SS energy: -32.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -413.294928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.294928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.894928 (E_RNA)
where:
Base-Base interactions energy: -261.044
where: short stacking energy: -95.347
Base-Backbone interact. energy: 0.216
local terms energy: -102.066605
where:
bonds (distance) C4'-P energy: -20.408
bonds (distance) P-C4' energy: -20.284
flat angles C4'-P-C4' energy: -20.051
flat angles P-C4'-P energy: -15.173
tors. eta vs tors. theta energy: -26.151
Dist. restrs. and SS energy: -50.400 (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: 183
Temperature: 0.950000
Total energy: -415.357291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.357291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.957291 (E_RNA)
where:
Base-Base interactions energy: -259.493
where: short stacking energy: -100.523
Base-Backbone interact. energy: -0.629
local terms energy: -104.835431
where:
bonds (distance) C4'-P energy: -16.654
bonds (distance) P-C4' energy: -20.776
flat angles C4'-P-C4' energy: -24.112
flat angles P-C4'-P energy: -15.919
tors. eta vs tors. theta energy: -27.374
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -396.977930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.977930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.577930 (E_RNA)
where:
Base-Base interactions energy: -243.161
where: short stacking energy: -90.605
Base-Backbone interact. energy: -1.888
local terms energy: -101.529312
where:
bonds (distance) C4'-P energy: -22.365
bonds (distance) P-C4' energy: -17.468
flat angles C4'-P-C4' energy: -25.163
flat angles P-C4'-P energy: -12.522
tors. eta vs tors. theta energy: -24.011
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -389.391400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.391400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.991400 (E_RNA)
where:
Base-Base interactions energy: -225.672
where: short stacking energy: -92.113
Base-Backbone interact. energy: -0.572
local terms energy: -112.747970
where:
bonds (distance) C4'-P energy: -26.752
bonds (distance) P-C4' energy: -21.409
flat angles C4'-P-C4' energy: -21.489
flat angles P-C4'-P energy: -15.546
tors. eta vs tors. theta energy: -27.552
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -352.260576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.260576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.860576 (E_RNA)
where:
Base-Base interactions energy: -212.903
where: short stacking energy: -80.943
Base-Backbone interact. energy: -0.859
local terms energy: -88.099286
where:
bonds (distance) C4'-P energy: -19.200
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -20.732
flat angles P-C4'-P energy: -17.855
tors. eta vs tors. theta energy: -15.257
Dist. restrs. and SS energy: -50.400 (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: 6
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -300.254638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.254638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.254638 (E_RNA)
where:
Base-Base interactions energy: -183.895
where: short stacking energy: -77.904
Base-Backbone interact. energy: 0.928
local terms energy: -81.288169
where:
bonds (distance) C4'-P energy: -16.619
bonds (distance) P-C4' energy: -22.862
flat angles C4'-P-C4' energy: -17.874
flat angles P-C4'-P energy: -11.407
tors. eta vs tors. theta energy: -12.527
Dist. restrs. and SS energy: -36.000 (S_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: 183
Temperature: 1.200000
Total energy: -270.417347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.417347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.417347 (E_RNA)
where:
Base-Base interactions energy: -143.266
where: short stacking energy: -63.972
Base-Backbone interact. energy: -0.760
local terms energy: -90.391326
where:
bonds (distance) C4'-P energy: -19.599
bonds (distance) P-C4' energy: -22.643
flat angles C4'-P-C4' energy: -15.039
flat angles P-C4'-P energy: -16.019
tors. eta vs tors. theta energy: -17.092
Dist. restrs. and SS energy: -36.000 (S_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: 183
Temperature: 1.250000
Total energy: -280.056032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.056032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.056032 (E_RNA)
where:
Base-Base interactions energy: -161.159
where: short stacking energy: -75.879
Base-Backbone interact. energy: -0.370
local terms energy: -82.526469
where:
bonds (distance) C4'-P energy: -19.007
bonds (distance) P-C4' energy: -16.831
flat angles C4'-P-C4' energy: -22.441
flat angles P-C4'-P energy: -6.890
tors. eta vs tors. theta energy: -17.358
Dist. restrs. and SS energy: -36.000 (S_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: 183
Temperature: 1.300000
Total energy: -266.408156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.408156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.408156 (E_RNA)
where:
Base-Base interactions energy: -144.386
where: short stacking energy: -60.502
Base-Backbone interact. energy: 0.218
local terms energy: -86.240751
where:
bonds (distance) C4'-P energy: -22.772
bonds (distance) P-C4' energy: -21.535
flat angles C4'-P-C4' energy: -22.710
flat angles P-C4'-P energy: -11.335
tors. eta vs tors. theta energy: -7.889
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -258.055468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.055468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.055468 (E_RNA)
where:
Base-Base interactions energy: -139.441
where: short stacking energy: -60.140
Base-Backbone interact. energy: -0.197
local terms energy: -82.417393
where:
bonds (distance) C4'-P energy: -18.185
bonds (distance) P-C4' energy: -19.493
flat angles C4'-P-C4' energy: -20.803
flat angles P-C4'-P energy: -14.050
tors. eta vs tors. theta energy: -9.886
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -410.469642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.469642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.869642 (E_RNA)
where:
Base-Base interactions energy: -258.084
where: short stacking energy: -95.870
Base-Backbone interact. energy: 0.949
local terms energy: -104.734975
where:
bonds (distance) C4'-P energy: -21.216
bonds (distance) P-C4' energy: -21.293
flat angles C4'-P-C4' energy: -20.730
flat angles P-C4'-P energy: -14.207
tors. eta vs tors. theta energy: -27.289
Dist. restrs. and SS energy: -48.600 (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: 3
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -408.323740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.323740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.923740 (E_RNA)
where:
Base-Base interactions energy: -243.758
where: short stacking energy: -97.393
Base-Backbone interact. energy: -0.392
local terms energy: -113.773510
where:
bonds (distance) C4'-P energy: -25.486
bonds (distance) P-C4' energy: -19.583
flat angles C4'-P-C4' energy: -27.038
flat angles P-C4'-P energy: -14.015
tors. eta vs tors. theta energy: -27.653
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -397.243875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.243875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.843875 (E_RNA)
where:
Base-Base interactions energy: -240.222
where: short stacking energy: -82.280
Base-Backbone interact. energy: -0.782
local terms energy: -105.840594
where:
bonds (distance) C4'-P energy: -26.176
bonds (distance) P-C4' energy: -21.944
flat angles C4'-P-C4' energy: -24.027
flat angles P-C4'-P energy: -12.294
tors. eta vs tors. theta energy: -21.399
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -403.486124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.486124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.086124 (E_RNA)
where:
Base-Base interactions energy: -246.644
where: short stacking energy: -92.472
Base-Backbone interact. energy: -0.544
local terms energy: -105.898317
where:
bonds (distance) C4'-P energy: -20.650
bonds (distance) P-C4' energy: -20.393
flat angles C4'-P-C4' energy: -21.283
flat angles P-C4'-P energy: -16.361
tors. eta vs tors. theta energy: -27.211
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -364.828092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.828092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.428092 (E_RNA)
where:
Base-Base interactions energy: -226.541
where: short stacking energy: -84.345
Base-Backbone interact. energy: -1.515
local terms energy: -86.371239
where:
bonds (distance) C4'-P energy: -22.839
bonds (distance) P-C4' energy: -13.061
flat angles C4'-P-C4' energy: -18.141
flat angles P-C4'-P energy: -14.226
tors. eta vs tors. theta energy: -18.105
Dist. restrs. and SS energy: -50.400 (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: 6
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -344.155755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.155755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.155755 (E_RNA)
where:
Base-Base interactions energy: -206.693
where: short stacking energy: -81.594
Base-Backbone interact. energy: -0.162
local terms energy: -101.301384
where:
bonds (distance) C4'-P energy: -21.170
bonds (distance) P-C4' energy: -25.262
flat angles C4'-P-C4' energy: -20.245
flat angles P-C4'-P energy: -8.011
tors. eta vs tors. theta energy: -26.614
Dist. restrs. and SS energy: -36.000 (S_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: 184
Temperature: 1.200000
Total energy: -284.848552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.848552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.848552 (E_RNA)
where:
Base-Base interactions energy: -159.495
where: short stacking energy: -66.043
Base-Backbone interact. energy: -0.171
local terms energy: -89.182838
where:
bonds (distance) C4'-P energy: -26.014
bonds (distance) P-C4' energy: -25.679
flat angles C4'-P-C4' energy: -13.171
flat angles P-C4'-P energy: -15.608
tors. eta vs tors. theta energy: -8.710
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -265.597511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.597511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.597511 (E_RNA)
where:
Base-Base interactions energy: -142.999
where: short stacking energy: -64.484
Base-Backbone interact. energy: -0.288
local terms energy: -86.310303
where:
bonds (distance) C4'-P energy: -16.866
bonds (distance) P-C4' energy: -23.182
flat angles C4'-P-C4' energy: -22.447
flat angles P-C4'-P energy: -10.916
tors. eta vs tors. theta energy: -12.900
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -268.763964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.763964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.363964 (E_RNA)
where:
Base-Base interactions energy: -147.928
where: short stacking energy: -60.138
Base-Backbone interact. energy: -0.278
local terms energy: -88.158738
where:
bonds (distance) C4'-P energy: -21.613
bonds (distance) P-C4' energy: -24.035
flat angles C4'-P-C4' energy: -20.694
flat angles P-C4'-P energy: -7.648
tors. eta vs tors. theta energy: -14.168
Dist. restrs. and SS energy: -32.400 (S_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: 184
Temperature: 1.350000
Total energy: -265.141213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.141213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.141213 (E_RNA)
where:
Base-Base interactions energy: -145.796
where: short stacking energy: -66.704
Base-Backbone interact. energy: 0.367
local terms energy: -83.712695
where:
bonds (distance) C4'-P energy: -18.276
bonds (distance) P-C4' energy: -18.124
flat angles C4'-P-C4' energy: -14.829
flat angles P-C4'-P energy: -12.207
tors. eta vs tors. theta energy: -20.276
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -417.243623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.243623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.843623 (E_RNA)
where:
Base-Base interactions energy: -247.577
where: short stacking energy: -97.505
Base-Backbone interact. energy: -0.347
local terms energy: -118.919052
where:
bonds (distance) C4'-P energy: -23.047
bonds (distance) P-C4' energy: -24.855
flat angles C4'-P-C4' energy: -23.901
flat angles P-C4'-P energy: -18.441
tors. eta vs tors. theta energy: -28.675
Dist. restrs. and SS energy: -50.400 (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: 185
Temperature: 0.950000
Total energy: -415.770178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.770178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.370178 (E_RNA)
where:
Base-Base interactions energy: -254.972
where: short stacking energy: -100.595
Base-Backbone interact. energy: 0.764
local terms energy: -111.161711
where:
bonds (distance) C4'-P energy: -20.070
bonds (distance) P-C4' energy: -25.064
flat angles C4'-P-C4' energy: -21.737
flat angles P-C4'-P energy: -15.292
tors. eta vs tors. theta energy: -28.999
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -397.829095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.829095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.429095 (E_RNA)
where:
Base-Base interactions energy: -245.185
where: short stacking energy: -91.455
Base-Backbone interact. energy: -1.159
local terms energy: -101.084773
where:
bonds (distance) C4'-P energy: -19.072
bonds (distance) P-C4' energy: -17.300
flat angles C4'-P-C4' energy: -22.021
flat angles P-C4'-P energy: -18.773
tors. eta vs tors. theta energy: -23.918
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -392.768969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.768969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.168969 (E_RNA)
where:
Base-Base interactions energy: -248.279
where: short stacking energy: -100.657
Base-Backbone interact. energy: -0.617
local terms energy: -95.272815
where:
bonds (distance) C4'-P energy: -19.535
bonds (distance) P-C4' energy: -18.760
flat angles C4'-P-C4' energy: -16.677
flat angles P-C4'-P energy: -16.726
tors. eta vs tors. theta energy: -23.575
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -369.606525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.606525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.206525 (E_RNA)
where:
Base-Base interactions energy: -225.961
where: short stacking energy: -93.230
Base-Backbone interact. energy: -0.875
local terms energy: -92.370412
where:
bonds (distance) C4'-P energy: -17.181
bonds (distance) P-C4' energy: -24.397
flat angles C4'-P-C4' energy: -17.848
flat angles P-C4'-P energy: -9.892
tors. eta vs tors. theta energy: -23.054
Dist. restrs. and SS energy: -50.400 (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: 6
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -331.833062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.833062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.833062 (E_RNA)
where:
Base-Base interactions energy: -201.721
where: short stacking energy: -81.440
Base-Backbone interact. energy: -0.173
local terms energy: -93.938594
where:
bonds (distance) C4'-P energy: -21.964
bonds (distance) P-C4' energy: -19.269
flat angles C4'-P-C4' energy: -21.830
flat angles P-C4'-P energy: -14.838
tors. eta vs tors. theta energy: -16.038
Dist. restrs. and SS energy: -36.000 (S_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: 185
Temperature: 1.200000
Total energy: -295.148972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.148972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.148972 (E_RNA)
where:
Base-Base interactions energy: -159.476
where: short stacking energy: -74.967
Base-Backbone interact. energy: -0.104
local terms energy: -99.568784
where:
bonds (distance) C4'-P energy: -23.774
bonds (distance) P-C4' energy: -14.270
flat angles C4'-P-C4' energy: -20.040
flat angles P-C4'-P energy: -17.660
tors. eta vs tors. theta energy: -23.825
Dist. restrs. and SS energy: -36.000 (S_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: 185
Temperature: 1.250000
Total energy: -284.959466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.959466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.759466 (E_RNA)
where:
Base-Base interactions energy: -159.005
where: short stacking energy: -70.164
Base-Backbone interact. energy: -0.367
local terms energy: -91.387009
where:
bonds (distance) C4'-P energy: -17.276
bonds (distance) P-C4' energy: -20.336
flat angles C4'-P-C4' energy: -22.618
flat angles P-C4'-P energy: -15.122
tors. eta vs tors. theta energy: -16.035
Dist. restrs. and SS energy: -34.200 (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: 4
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -272.663637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.663637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.663637 (E_RNA)
where:
Base-Base interactions energy: -151.457
where: short stacking energy: -72.347
Base-Backbone interact. energy: -0.402
local terms energy: -84.804332
where:
bonds (distance) C4'-P energy: -18.483
bonds (distance) P-C4' energy: -20.818
flat angles C4'-P-C4' energy: -15.514
flat angles P-C4'-P energy: -12.307
tors. eta vs tors. theta energy: -17.683
Dist. restrs. and SS energy: -36.000 (S_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: 185
Temperature: 1.350000
Total energy: -247.157762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.157762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.157762 (E_RNA)
where:
Base-Base interactions energy: -137.284
where: short stacking energy: -65.624
Base-Backbone interact. energy: -0.715
local terms energy: -73.159191
where:
bonds (distance) C4'-P energy: -20.472
bonds (distance) P-C4' energy: -14.467
flat angles C4'-P-C4' energy: -14.512
flat angles P-C4'-P energy: -7.979
tors. eta vs tors. theta energy: -15.729
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -419.624148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.624148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.224148 (E_RNA)
where:
Base-Base interactions energy: -262.029
where: short stacking energy: -105.346
Base-Backbone interact. energy: -0.923
local terms energy: -106.271561
where:
bonds (distance) C4'-P energy: -18.236
bonds (distance) P-C4' energy: -22.373
flat angles C4'-P-C4' energy: -22.603
flat angles P-C4'-P energy: -13.214
tors. eta vs tors. theta energy: -29.845
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -406.906577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.906577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.506577 (E_RNA)
where:
Base-Base interactions energy: -240.683
where: short stacking energy: -101.539
Base-Backbone interact. energy: -0.435
local terms energy: -115.388298
where:
bonds (distance) C4'-P energy: -21.962
bonds (distance) P-C4' energy: -23.936
flat angles C4'-P-C4' energy: -27.595
flat angles P-C4'-P energy: -14.776
tors. eta vs tors. theta energy: -27.119
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -405.814655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.814655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.414655 (E_RNA)
where:
Base-Base interactions energy: -247.047
where: short stacking energy: -81.827
Base-Backbone interact. energy: -0.400
local terms energy: -107.968404
where:
bonds (distance) C4'-P energy: -22.107
bonds (distance) P-C4' energy: -22.867
flat angles C4'-P-C4' energy: -18.815
flat angles P-C4'-P energy: -20.172
tors. eta vs tors. theta energy: -24.008
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -398.515011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.515011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.115011 (E_RNA)
where:
Base-Base interactions energy: -247.487
where: short stacking energy: -92.657
Base-Backbone interact. energy: 0.333
local terms energy: -100.960620
where:
bonds (distance) C4'-P energy: -13.721
bonds (distance) P-C4' energy: -21.722
flat angles C4'-P-C4' energy: -25.233
flat angles P-C4'-P energy: -14.282
tors. eta vs tors. theta energy: -26.004
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -371.823364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.823364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.423364 (E_RNA)
where:
Base-Base interactions energy: -226.256
where: short stacking energy: -86.964
Base-Backbone interact. energy: -1.723
local terms energy: -93.443744
where:
bonds (distance) C4'-P energy: -16.380
bonds (distance) P-C4' energy: -22.008
flat angles C4'-P-C4' energy: -23.772
flat angles P-C4'-P energy: -9.564
tors. eta vs tors. theta energy: -21.719
Dist. restrs. and SS energy: -50.400 (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: 6
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -323.219231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.219231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.219231 (E_RNA)
where:
Base-Base interactions energy: -189.244
where: short stacking energy: -87.494
Base-Backbone interact. energy: -0.697
local terms energy: -97.278894
where:
bonds (distance) C4'-P energy: -17.480
bonds (distance) P-C4' energy: -21.309
flat angles C4'-P-C4' energy: -24.328
flat angles P-C4'-P energy: -13.240
tors. eta vs tors. theta energy: -20.922
Dist. restrs. and SS energy: -36.000 (S_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: 186
Temperature: 1.200000
Total energy: -299.924856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.924856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.924856 (E_RNA)
where:
Base-Base interactions energy: -179.244
where: short stacking energy: -73.984
Base-Backbone interact. energy: -0.595
local terms energy: -84.085636
where:
bonds (distance) C4'-P energy: -16.061
bonds (distance) P-C4' energy: -18.470
flat angles C4'-P-C4' energy: -20.577
flat angles P-C4'-P energy: -14.111
tors. eta vs tors. theta energy: -14.866
Dist. restrs. and SS energy: -36.000 (S_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: 186
Temperature: 1.250000
Total energy: -271.209942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.209942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.209942 (E_RNA)
where:
Base-Base interactions energy: -140.537
where: short stacking energy: -59.238
Base-Backbone interact. energy: -0.142
local terms energy: -94.531649
where:
bonds (distance) C4'-P energy: -22.901
bonds (distance) P-C4' energy: -19.511
flat angles C4'-P-C4' energy: -26.758
flat angles P-C4'-P energy: -13.042
tors. eta vs tors. theta energy: -12.320
Dist. restrs. and SS energy: -36.000 (S_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: 186
Temperature: 1.300000
Total energy: -249.451405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.451405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.251405 (E_RNA)
where:
Base-Base interactions energy: -128.188
where: short stacking energy: -65.218
Base-Backbone interact. energy: -0.516
local terms energy: -86.547469
where:
bonds (distance) C4'-P energy: -23.043
bonds (distance) P-C4' energy: -17.978
flat angles C4'-P-C4' energy: -20.146
flat angles P-C4'-P energy: -8.937
tors. eta vs tors. theta energy: -16.445
Dist. restrs. and SS energy: -34.200 (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: 4
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -247.347171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.347171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.347171 (E_RNA)
where:
Base-Base interactions energy: -137.003
where: short stacking energy: -66.154
Base-Backbone interact. energy: -0.034
local terms energy: -74.309994
where:
bonds (distance) C4'-P energy: -18.321
bonds (distance) P-C4' energy: -21.615
flat angles C4'-P-C4' energy: -8.950
flat angles P-C4'-P energy: -11.264
tors. eta vs tors. theta energy: -14.159
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -419.827946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.827946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.027946 (E_RNA)
where:
Base-Base interactions energy: -252.938
where: short stacking energy: -98.036
Base-Backbone interact. energy: -1.318
local terms energy: -118.771948
where:
bonds (distance) C4'-P energy: -24.407
bonds (distance) P-C4' energy: -27.552
flat angles C4'-P-C4' energy: -25.142
flat angles P-C4'-P energy: -12.685
tors. eta vs tors. theta energy: -28.986
Dist. restrs. and SS energy: -46.800 (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: 5
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -417.589264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.589264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.189264 (E_RNA)
where:
Base-Base interactions energy: -259.110
where: short stacking energy: -103.818
Base-Backbone interact. energy: -0.457
local terms energy: -107.622086
where:
bonds (distance) C4'-P energy: -22.060
bonds (distance) P-C4' energy: -17.907
flat angles C4'-P-C4' energy: -20.952
flat angles P-C4'-P energy: -18.627
tors. eta vs tors. theta energy: -28.076
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -392.646274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.646274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.046274 (E_RNA)
where:
Base-Base interactions energy: -240.445
where: short stacking energy: -85.686
Base-Backbone interact. energy: -0.689
local terms energy: -102.911745
where:
bonds (distance) C4'-P energy: -22.912
bonds (distance) P-C4' energy: -23.201
flat angles C4'-P-C4' energy: -21.637
flat angles P-C4'-P energy: -14.696
tors. eta vs tors. theta energy: -20.465
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -379.682920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.682920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.082920 (E_RNA)
where:
Base-Base interactions energy: -216.233
where: short stacking energy: -86.287
Base-Backbone interact. energy: -0.472
local terms energy: -114.377474
where:
bonds (distance) C4'-P energy: -21.832
bonds (distance) P-C4' energy: -23.175
flat angles C4'-P-C4' energy: -25.471
flat angles P-C4'-P energy: -18.353
tors. eta vs tors. theta energy: -25.546
Dist. restrs. and SS energy: -48.600 (S_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: 187
Temperature: 1.100000
Total energy: -387.565319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.565319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.165319 (E_RNA)
where:
Base-Base interactions energy: -233.394
where: short stacking energy: -83.554
Base-Backbone interact. energy: -0.271
local terms energy: -103.500863
where:
bonds (distance) C4'-P energy: -21.423
bonds (distance) P-C4' energy: -22.212
flat angles C4'-P-C4' energy: -25.406
flat angles P-C4'-P energy: -13.658
tors. eta vs tors. theta energy: -20.802
Dist. restrs. and SS energy: -50.400 (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: 187
Temperature: 1.150000
Total energy: -310.392894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.392894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.392894 (E_RNA)
where:
Base-Base interactions energy: -172.580
where: short stacking energy: -63.239
Base-Backbone interact. energy: -1.680
local terms energy: -100.132145
where:
bonds (distance) C4'-P energy: -18.083
bonds (distance) P-C4' energy: -25.176
flat angles C4'-P-C4' energy: -20.823
flat angles P-C4'-P energy: -17.146
tors. eta vs tors. theta energy: -18.903
Dist. restrs. and SS energy: -36.000 (S_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: 187
Temperature: 1.200000
Total energy: -281.462298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.462298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.462298 (E_RNA)
where:
Base-Base interactions energy: -148.109
where: short stacking energy: -73.978
Base-Backbone interact. energy: -0.203
local terms energy: -97.149659
where:
bonds (distance) C4'-P energy: -26.652
bonds (distance) P-C4' energy: -25.759
flat angles C4'-P-C4' energy: -22.732
flat angles P-C4'-P energy: -9.148
tors. eta vs tors. theta energy: -12.859
Dist. restrs. and SS energy: -36.000 (S_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: 187
Temperature: 1.250000
Total energy: -258.877753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.877753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.877753 (E_RNA)
where:
Base-Base interactions energy: -141.535
where: short stacking energy: -67.034
Base-Backbone interact. energy: -0.323
local terms energy: -81.019692
where:
bonds (distance) C4'-P energy: -17.747
bonds (distance) P-C4' energy: -22.346
flat angles C4'-P-C4' energy: -18.476
flat angles P-C4'-P energy: -10.462
tors. eta vs tors. theta energy: -11.989
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -266.006233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.006233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.006233 (E_RNA)
where:
Base-Base interactions energy: -142.847
where: short stacking energy: -66.844
Base-Backbone interact. energy: -1.807
local terms energy: -85.351353
where:
bonds (distance) C4'-P energy: -22.747
bonds (distance) P-C4' energy: -19.638
flat angles C4'-P-C4' energy: -14.159
flat angles P-C4'-P energy: -13.457
tors. eta vs tors. theta energy: -15.350
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -251.205588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.205588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.805588 (E_RNA)
where:
Base-Base interactions energy: -129.193
where: short stacking energy: -56.512
Base-Backbone interact. energy: -1.441
local terms energy: -88.172272
where:
bonds (distance) C4'-P energy: -10.878
bonds (distance) P-C4' energy: -23.678
flat angles C4'-P-C4' energy: -21.767
flat angles P-C4'-P energy: -16.650
tors. eta vs tors. theta energy: -15.199
Dist. restrs. and SS energy: -32.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -414.527809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.527809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.127809 (E_RNA)
where:
Base-Base interactions energy: -246.742
where: short stacking energy: -94.849
Base-Backbone interact. energy: -0.589
local terms energy: -116.796627
where:
bonds (distance) C4'-P energy: -21.686
bonds (distance) P-C4' energy: -24.527
flat angles C4'-P-C4' energy: -22.885
flat angles P-C4'-P energy: -18.895
tors. eta vs tors. theta energy: -28.803
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -397.120789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.120789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.720789 (E_RNA)
where:
Base-Base interactions energy: -238.849
where: short stacking energy: -102.745
Base-Backbone interact. energy: -0.715
local terms energy: -107.156794
where:
bonds (distance) C4'-P energy: -16.767
bonds (distance) P-C4' energy: -22.052
flat angles C4'-P-C4' energy: -24.669
flat angles P-C4'-P energy: -14.459
tors. eta vs tors. theta energy: -29.209
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -375.040412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.040412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.640412 (E_RNA)
where:
Base-Base interactions energy: -222.913
where: short stacking energy: -89.893
Base-Backbone interact. energy: -1.539
local terms energy: -100.187700
where:
bonds (distance) C4'-P energy: -19.510
bonds (distance) P-C4' energy: -25.970
flat angles C4'-P-C4' energy: -23.209
flat angles P-C4'-P energy: -12.877
tors. eta vs tors. theta energy: -18.621
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -373.759431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.759431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.359431 (E_RNA)
where:
Base-Base interactions energy: -223.087
where: short stacking energy: -85.916
Base-Backbone interact. energy: -0.943
local terms energy: -99.329123
where:
bonds (distance) C4'-P energy: -23.559
bonds (distance) P-C4' energy: -18.088
flat angles C4'-P-C4' energy: -18.012
flat angles P-C4'-P energy: -17.908
tors. eta vs tors. theta energy: -21.763
Dist. restrs. and SS energy: -50.400 (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: 188
Temperature: 1.100000
Total energy: -384.666904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.666904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.266904 (E_RNA)
where:
Base-Base interactions energy: -239.591
where: short stacking energy: -87.509
Base-Backbone interact. energy: -1.017
local terms energy: -93.658935
where:
bonds (distance) C4'-P energy: -21.491
bonds (distance) P-C4' energy: -19.213
flat angles C4'-P-C4' energy: -22.070
flat angles P-C4'-P energy: -10.078
tors. eta vs tors. theta energy: -20.807
Dist. restrs. and SS energy: -50.400 (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: 188
Temperature: 1.150000
Total energy: -309.749268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.749268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.749268 (E_RNA)
where:
Base-Base interactions energy: -175.130
where: short stacking energy: -90.908
Base-Backbone interact. energy: -0.180
local terms energy: -98.439062
where:
bonds (distance) C4'-P energy: -13.480
bonds (distance) P-C4' energy: -23.535
flat angles C4'-P-C4' energy: -20.874
flat angles P-C4'-P energy: -15.246
tors. eta vs tors. theta energy: -25.303
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -268.917169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.917169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.917169 (E_RNA)
where:
Base-Base interactions energy: -144.077
where: short stacking energy: -63.756
Base-Backbone interact. energy: -1.343
local terms energy: -87.497433
where:
bonds (distance) C4'-P energy: -19.192
bonds (distance) P-C4' energy: -25.533
flat angles C4'-P-C4' energy: -18.154
flat angles P-C4'-P energy: -11.800
tors. eta vs tors. theta energy: -12.819
Dist. restrs. and SS energy: -36.000 (S_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: 188
Temperature: 1.250000
Total energy: -289.985835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.985835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.785835 (E_RNA)
where:
Base-Base interactions energy: -168.600
where: short stacking energy: -67.767
Base-Backbone interact. energy: -0.189
local terms energy: -86.996507
where:
bonds (distance) C4'-P energy: -18.238
bonds (distance) P-C4' energy: -20.065
flat angles C4'-P-C4' energy: -18.635
flat angles P-C4'-P energy: -14.434
tors. eta vs tors. theta energy: -15.624
Dist. restrs. and SS energy: -34.200 (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: 4
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -240.938908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.938908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.938908 (E_RNA)
where:
Base-Base interactions energy: -120.275
where: short stacking energy: -50.238
Base-Backbone interact. energy: -1.052
local terms energy: -83.612351
where:
bonds (distance) C4'-P energy: -23.120
bonds (distance) P-C4' energy: -19.027
flat angles C4'-P-C4' energy: -18.120
flat angles P-C4'-P energy: -15.338
tors. eta vs tors. theta energy: -8.007
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -251.649670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.649670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.449670 (E_RNA)
where:
Base-Base interactions energy: -131.739
where: short stacking energy: -60.491
Base-Backbone interact. energy: -0.422
local terms energy: -85.287755
where:
bonds (distance) C4'-P energy: -22.065
bonds (distance) P-C4' energy: -16.850
flat angles C4'-P-C4' energy: -20.005
flat angles P-C4'-P energy: -14.332
tors. eta vs tors. theta energy: -12.035
Dist. restrs. and SS energy: -34.200 (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: 3
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -416.345530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.345530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.945530 (E_RNA)
where:
Base-Base interactions energy: -248.464
where: short stacking energy: -103.573
Base-Backbone interact. energy: 0.213
local terms energy: -117.694324
where:
bonds (distance) C4'-P energy: -24.376
bonds (distance) P-C4' energy: -23.286
flat angles C4'-P-C4' energy: -21.252
flat angles P-C4'-P energy: -18.863
tors. eta vs tors. theta energy: -29.916
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -390.513600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.513600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.113600 (E_RNA)
where:
Base-Base interactions energy: -234.806
where: short stacking energy: -84.852
Base-Backbone interact. energy: -1.658
local terms energy: -103.649994
where:
bonds (distance) C4'-P energy: -24.343
bonds (distance) P-C4' energy: -24.706
flat angles C4'-P-C4' energy: -22.247
flat angles P-C4'-P energy: -13.945
tors. eta vs tors. theta energy: -18.408
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -394.638408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.638408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.238408 (E_RNA)
where:
Base-Base interactions energy: -243.397
where: short stacking energy: -100.779
Base-Backbone interact. energy: 5.135
local terms energy: -105.976222
where:
bonds (distance) C4'-P energy: -23.108
bonds (distance) P-C4' energy: -18.690
flat angles C4'-P-C4' energy: -23.961
flat angles P-C4'-P energy: -16.382
tors. eta vs tors. theta energy: -23.834
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -391.455693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.455693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.055693 (E_RNA)
where:
Base-Base interactions energy: -236.627
where: short stacking energy: -81.580
Base-Backbone interact. energy: -0.306
local terms energy: -104.122725
where:
bonds (distance) C4'-P energy: -21.457
bonds (distance) P-C4' energy: -21.708
flat angles C4'-P-C4' energy: -22.911
flat angles P-C4'-P energy: -16.652
tors. eta vs tors. theta energy: -21.394
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -356.323948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.323948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.723948 (E_RNA)
where:
Base-Base interactions energy: -200.854
where: short stacking energy: -78.272
Base-Backbone interact. energy: -0.941
local terms energy: -105.928799
where:
bonds (distance) C4'-P energy: -21.841
bonds (distance) P-C4' energy: -27.675
flat angles C4'-P-C4' energy: -22.534
flat angles P-C4'-P energy: -15.142
tors. eta vs tors. theta energy: -18.737
Dist. restrs. and SS energy: -48.600 (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: 2
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -313.984577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.984577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.784577 (E_RNA)
where:
Base-Base interactions energy: -186.342
where: short stacking energy: -84.696
Base-Backbone interact. energy: -0.070
local terms energy: -93.372754
where:
bonds (distance) C4'-P energy: -17.425
bonds (distance) P-C4' energy: -26.041
flat angles C4'-P-C4' energy: -16.552
flat angles P-C4'-P energy: -13.104
tors. eta vs tors. theta energy: -20.252
Dist. restrs. and SS energy: -34.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -275.822829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.822829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.822829 (E_RNA)
where:
Base-Base interactions energy: -142.882
where: short stacking energy: -81.312
Base-Backbone interact. energy: -0.052
local terms energy: -96.888925
where:
bonds (distance) C4'-P energy: -18.394
bonds (distance) P-C4' energy: -19.792
flat angles C4'-P-C4' energy: -21.005
flat angles P-C4'-P energy: -19.266
tors. eta vs tors. theta energy: -18.432
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -257.686491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.686491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.686491 (E_RNA)
where:
Base-Base interactions energy: -137.177
where: short stacking energy: -67.188
Base-Backbone interact. energy: -0.359
local terms energy: -84.150070
where:
bonds (distance) C4'-P energy: -18.837
bonds (distance) P-C4' energy: -18.337
flat angles C4'-P-C4' energy: -16.395
flat angles P-C4'-P energy: -16.785
tors. eta vs tors. theta energy: -13.795
Dist. restrs. and SS energy: -36.000 (S_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: 189
Temperature: 1.300000
Total energy: -268.013347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.013347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.813347 (E_RNA)
where:
Base-Base interactions energy: -149.805
where: short stacking energy: -51.997
Base-Backbone interact. energy: -0.337
local terms energy: -83.670976
where:
bonds (distance) C4'-P energy: -17.782
bonds (distance) P-C4' energy: -18.996
flat angles C4'-P-C4' energy: -19.512
flat angles P-C4'-P energy: -19.254
tors. eta vs tors. theta energy: -8.127
Dist. restrs. and SS energy: -34.200 (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: 9
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -239.889089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.889089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.889089 (E_RNA)
where:
Base-Base interactions energy: -133.664
where: short stacking energy: -59.942
Base-Backbone interact. energy: 1.311
local terms energy: -71.536687
where:
bonds (distance) C4'-P energy: -21.883
bonds (distance) P-C4' energy: -20.866
flat angles C4'-P-C4' energy: -8.162
flat angles P-C4'-P energy: -11.978
tors. eta vs tors. theta energy: -8.647
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -414.660640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.660640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.260640 (E_RNA)
where:
Base-Base interactions energy: -250.378
where: short stacking energy: -91.786
Base-Backbone interact. energy: -0.627
local terms energy: -113.255981
where:
bonds (distance) C4'-P energy: -22.513
bonds (distance) P-C4' energy: -26.545
flat angles C4'-P-C4' energy: -22.571
flat angles P-C4'-P energy: -13.133
tors. eta vs tors. theta energy: -28.495
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -409.366013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.366013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.966013 (E_RNA)
where:
Base-Base interactions energy: -262.218
where: short stacking energy: -94.060
Base-Backbone interact. energy: -0.879
local terms energy: -95.868745
where:
bonds (distance) C4'-P energy: -12.074
bonds (distance) P-C4' energy: -18.210
flat angles C4'-P-C4' energy: -22.873
flat angles P-C4'-P energy: -17.355
tors. eta vs tors. theta energy: -25.357
Dist. restrs. and SS energy: -50.400 (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: 190
Temperature: 1.000000
Total energy: -398.743424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.743424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.143424 (E_RNA)
where:
Base-Base interactions energy: -244.681
where: short stacking energy: -91.248
Base-Backbone interact. energy: -0.243
local terms energy: -105.219778
where:
bonds (distance) C4'-P energy: -20.624
bonds (distance) P-C4' energy: -24.372
flat angles C4'-P-C4' energy: -21.860
flat angles P-C4'-P energy: -14.230
tors. eta vs tors. theta energy: -24.134
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -395.554409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.554409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.154409 (E_RNA)
where:
Base-Base interactions energy: -230.688
where: short stacking energy: -93.781
Base-Backbone interact. energy: -0.809
local terms energy: -113.657494
where:
bonds (distance) C4'-P energy: -20.516
bonds (distance) P-C4' energy: -22.422
flat angles C4'-P-C4' energy: -27.111
flat angles P-C4'-P energy: -17.386
tors. eta vs tors. theta energy: -26.222
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -351.841314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.841314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.441314 (E_RNA)
where:
Base-Base interactions energy: -206.590
where: short stacking energy: -74.324
Base-Backbone interact. energy: -1.491
local terms energy: -93.360030
where:
bonds (distance) C4'-P energy: -21.207
bonds (distance) P-C4' energy: -22.232
flat angles C4'-P-C4' energy: -19.633
flat angles P-C4'-P energy: -14.354
tors. eta vs tors. theta energy: -15.935
Dist. restrs. and SS energy: -50.400 (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: 190
Temperature: 1.150000
Total energy: -285.203800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.203800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.203800 (E_RNA)
where:
Base-Base interactions energy: -156.888
where: short stacking energy: -71.906
Base-Backbone interact. energy: -0.186
local terms energy: -92.129220
where:
bonds (distance) C4'-P energy: -24.863
bonds (distance) P-C4' energy: -10.893
flat angles C4'-P-C4' energy: -22.012
flat angles P-C4'-P energy: -19.513
tors. eta vs tors. theta energy: -14.848
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -271.126577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.126577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.926577 (E_RNA)
where:
Base-Base interactions energy: -153.670
where: short stacking energy: -65.831
Base-Backbone interact. energy: 0.001
local terms energy: -83.256991
where:
bonds (distance) C4'-P energy: -21.217
bonds (distance) P-C4' energy: -17.646
flat angles C4'-P-C4' energy: -21.460
flat angles P-C4'-P energy: -11.173
tors. eta vs tors. theta energy: -11.761
Dist. restrs. and SS energy: -34.200 (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: 7
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -261.753346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.753346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.753346 (E_RNA)
where:
Base-Base interactions energy: -146.572
where: short stacking energy: -62.003
Base-Backbone interact. energy: 3.573
local terms energy: -82.753872
where:
bonds (distance) C4'-P energy: -16.356
bonds (distance) P-C4' energy: -22.666
flat angles C4'-P-C4' energy: -17.156
flat angles P-C4'-P energy: -15.950
tors. eta vs tors. theta energy: -10.626
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -256.618123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.618123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.618123 (E_RNA)
where:
Base-Base interactions energy: -132.391
where: short stacking energy: -66.145
Base-Backbone interact. energy: 0.083
local terms energy: -88.309672
where:
bonds (distance) C4'-P energy: -20.358
bonds (distance) P-C4' energy: -20.788
flat angles C4'-P-C4' energy: -24.620
flat angles P-C4'-P energy: -11.727
tors. eta vs tors. theta energy: -10.817
Dist. restrs. and SS energy: -36.000 (S_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: 190
Temperature: 1.350000
Total energy: -258.921371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.921371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.921371 (E_RNA)
where:
Base-Base interactions energy: -153.631
where: short stacking energy: -61.963
Base-Backbone interact. energy: 1.427
local terms energy: -70.717546
where:
bonds (distance) C4'-P energy: -22.118
bonds (distance) P-C4' energy: -14.478
flat angles C4'-P-C4' energy: -16.694
flat angles P-C4'-P energy: -5.587
tors. eta vs tors. theta energy: -11.840
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -415.012349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.012349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.612349 (E_RNA)
where:
Base-Base interactions energy: -250.808
where: short stacking energy: -100.895
Base-Backbone interact. energy: -0.653
local terms energy: -113.151184
where:
bonds (distance) C4'-P energy: -21.322
bonds (distance) P-C4' energy: -22.543
flat angles C4'-P-C4' energy: -25.357
flat angles P-C4'-P energy: -14.776
tors. eta vs tors. theta energy: -29.153
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -409.159998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.159998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.759998 (E_RNA)
where:
Base-Base interactions energy: -255.788
where: short stacking energy: -98.087
Base-Backbone interact. energy: -0.455
local terms energy: -102.517719
where:
bonds (distance) C4'-P energy: -25.740
bonds (distance) P-C4' energy: -16.933
flat angles C4'-P-C4' energy: -19.717
flat angles P-C4'-P energy: -12.213
tors. eta vs tors. theta energy: -27.915
Dist. restrs. and SS energy: -50.400 (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: 191
Temperature: 1.000000
Total energy: -392.653054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.653054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.253054 (E_RNA)
where:
Base-Base interactions energy: -239.414
where: short stacking energy: -98.291
Base-Backbone interact. energy: -1.615
local terms energy: -101.224454
where:
bonds (distance) C4'-P energy: -21.796
bonds (distance) P-C4' energy: -20.594
flat angles C4'-P-C4' energy: -24.389
flat angles P-C4'-P energy: -10.513
tors. eta vs tors. theta energy: -23.932
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -387.751664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.751664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.351664 (E_RNA)
where:
Base-Base interactions energy: -225.111
where: short stacking energy: -89.458
Base-Backbone interact. energy: -0.579
local terms energy: -111.661384
where:
bonds (distance) C4'-P energy: -20.385
bonds (distance) P-C4' energy: -26.072
flat angles C4'-P-C4' energy: -23.889
flat angles P-C4'-P energy: -14.323
tors. eta vs tors. theta energy: -26.991
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -356.804507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.804507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.204507 (E_RNA)
where:
Base-Base interactions energy: -216.776
where: short stacking energy: -80.990
Base-Backbone interact. energy: -0.376
local terms energy: -91.051999
where:
bonds (distance) C4'-P energy: -21.661
bonds (distance) P-C4' energy: -15.053
flat angles C4'-P-C4' energy: -21.899
flat angles P-C4'-P energy: -11.910
tors. eta vs tors. theta energy: -20.529
Dist. restrs. and SS energy: -48.600 (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: 4
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -284.101623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.101623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.101623 (E_RNA)
where:
Base-Base interactions energy: -167.098
where: short stacking energy: -78.522
Base-Backbone interact. energy: -0.228
local terms energy: -80.776314
where:
bonds (distance) C4'-P energy: -15.483
bonds (distance) P-C4' energy: -16.501
flat angles C4'-P-C4' energy: -19.008
flat angles P-C4'-P energy: -14.180
tors. eta vs tors. theta energy: -15.604
Dist. restrs. and SS energy: -36.000 (S_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: 191
Temperature: 1.200000
Total energy: -274.962688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.962688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.962688 (E_RNA)
where:
Base-Base interactions energy: -147.173
where: short stacking energy: -63.419
Base-Backbone interact. energy: -0.091
local terms energy: -91.698866
where:
bonds (distance) C4'-P energy: -22.295
bonds (distance) P-C4' energy: -22.901
flat angles C4'-P-C4' energy: -22.105
flat angles P-C4'-P energy: -13.414
tors. eta vs tors. theta energy: -10.984
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -260.050378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.050378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.850378 (E_RNA)
where:
Base-Base interactions energy: -142.155
where: short stacking energy: -65.351
Base-Backbone interact. energy: -0.126
local terms energy: -83.569318
where:
bonds (distance) C4'-P energy: -22.296
bonds (distance) P-C4' energy: -17.401
flat angles C4'-P-C4' energy: -21.618
flat angles P-C4'-P energy: -5.136
tors. eta vs tors. theta energy: -17.118
Dist. restrs. and SS energy: -34.200 (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: 7
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -288.619634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.619634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.419634 (E_RNA)
where:
Base-Base interactions energy: -167.540
where: short stacking energy: -67.258
Base-Backbone interact. energy: -0.359
local terms energy: -86.520527
where:
bonds (distance) C4'-P energy: -19.514
bonds (distance) P-C4' energy: -22.600
flat angles C4'-P-C4' energy: -20.833
flat angles P-C4'-P energy: -8.474
tors. eta vs tors. theta energy: -15.099
Dist. restrs. and SS energy: -34.200 (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: 6
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -256.915612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.915612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.915612 (E_RNA)
where:
Base-Base interactions energy: -138.396
where: short stacking energy: -56.998
Base-Backbone interact. energy: -0.846
local terms energy: -81.673735
where:
bonds (distance) C4'-P energy: -18.498
bonds (distance) P-C4' energy: -22.740
flat angles C4'-P-C4' energy: -18.708
flat angles P-C4'-P energy: -9.002
tors. eta vs tors. theta energy: -12.726
Dist. restrs. and SS energy: -36.000 (S_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: 192
Temperature: 0.900000
Total energy: -413.051036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.051036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.651036 (E_RNA)
where:
Base-Base interactions energy: -249.749
where: short stacking energy: -103.852
Base-Backbone interact. energy: -0.097
local terms energy: -112.804279
where:
bonds (distance) C4'-P energy: -21.156
bonds (distance) P-C4' energy: -23.447
flat angles C4'-P-C4' energy: -23.114
flat angles P-C4'-P energy: -15.759
tors. eta vs tors. theta energy: -29.328
Dist. restrs. and SS energy: -50.400 (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: 192
Temperature: 0.950000
Total energy: -399.275115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.275115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.875115 (E_RNA)
where:
Base-Base interactions energy: -247.260
where: short stacking energy: -98.753
Base-Backbone interact. energy: -0.313
local terms energy: -101.302657
where:
bonds (distance) C4'-P energy: -18.013
bonds (distance) P-C4' energy: -25.884
flat angles C4'-P-C4' energy: -18.861
flat angles P-C4'-P energy: -14.680
tors. eta vs tors. theta energy: -23.865
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -396.581303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.581303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.181303 (E_RNA)
where:
Base-Base interactions energy: -227.344
where: short stacking energy: -95.705
Base-Backbone interact. energy: -0.673
local terms energy: -118.164622
where:
bonds (distance) C4'-P energy: -23.610
bonds (distance) P-C4' energy: -24.236
flat angles C4'-P-C4' energy: -22.496
flat angles P-C4'-P energy: -19.209
tors. eta vs tors. theta energy: -28.615
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -382.811665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.811665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.411665 (E_RNA)
where:
Base-Base interactions energy: -240.316
where: short stacking energy: -84.719
Base-Backbone interact. energy: 0.769
local terms energy: -92.864411
where:
bonds (distance) C4'-P energy: -18.111
bonds (distance) P-C4' energy: -18.935
flat angles C4'-P-C4' energy: -24.364
flat angles P-C4'-P energy: -17.470
tors. eta vs tors. theta energy: -13.985
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -370.696414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.696414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.296414 (E_RNA)
where:
Base-Base interactions energy: -230.359
where: short stacking energy: -80.668
Base-Backbone interact. energy: -1.247
local terms energy: -88.690465
where:
bonds (distance) C4'-P energy: -11.614
bonds (distance) P-C4' energy: -24.377
flat angles C4'-P-C4' energy: -23.795
flat angles P-C4'-P energy: -13.583
tors. eta vs tors. theta energy: -15.321
Dist. restrs. and SS energy: -50.400 (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: 4
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -301.204529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.204529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.204529 (E_RNA)
where:
Base-Base interactions energy: -166.806
where: short stacking energy: -79.971
Base-Backbone interact. energy: 0.626
local terms energy: -99.024533
where:
bonds (distance) C4'-P energy: -22.772
bonds (distance) P-C4' energy: -16.989
flat angles C4'-P-C4' energy: -23.820
flat angles P-C4'-P energy: -7.702
tors. eta vs tors. theta energy: -27.741
Dist. restrs. and SS energy: -36.000 (S_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: 192
Temperature: 1.200000
Total energy: -281.721487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.721487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.521487 (E_RNA)
where:
Base-Base interactions energy: -162.247
where: short stacking energy: -67.242
Base-Backbone interact. energy: -0.113
local terms energy: -85.161352
where:
bonds (distance) C4'-P energy: -21.022
bonds (distance) P-C4' energy: -20.309
flat angles C4'-P-C4' energy: -18.036
flat angles P-C4'-P energy: -18.822
tors. eta vs tors. theta energy: -6.972
Dist. restrs. and SS energy: -34.200 (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: 9
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -287.267879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.267879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.267879 (E_RNA)
where:
Base-Base interactions energy: -159.378
where: short stacking energy: -80.309
Base-Backbone interact. energy: -0.125
local terms energy: -91.763961
where:
bonds (distance) C4'-P energy: -19.071
bonds (distance) P-C4' energy: -21.220
flat angles C4'-P-C4' energy: -21.668
flat angles P-C4'-P energy: -9.945
tors. eta vs tors. theta energy: -19.858
Dist. restrs. and SS energy: -36.000 (S_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: 192
Temperature: 1.300000
Total energy: -247.083580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.083580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.883580 (E_RNA)
where:
Base-Base interactions energy: -129.081
where: short stacking energy: -62.693
Base-Backbone interact. energy: -0.128
local terms energy: -83.673915
where:
bonds (distance) C4'-P energy: -18.720
bonds (distance) P-C4' energy: -14.685
flat angles C4'-P-C4' energy: -23.456
flat angles P-C4'-P energy: -16.897
tors. eta vs tors. theta energy: -9.915
Dist. restrs. and SS energy: -34.200 (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: 192
Temperature: 1.350000
Total energy: -253.948098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.948098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.948098 (E_RNA)
where:
Base-Base interactions energy: -139.111
where: short stacking energy: -50.018
Base-Backbone interact. energy: -0.061
local terms energy: -78.776750
where:
bonds (distance) C4'-P energy: -20.935
bonds (distance) P-C4' energy: -18.341
flat angles C4'-P-C4' energy: -19.794
flat angles P-C4'-P energy: -10.446
tors. eta vs tors. theta energy: -9.260
Dist. restrs. and SS energy: -36.000 (S_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: 193
Temperature: 0.900000
Total energy: -415.846461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.846461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.446461 (E_RNA)
where:
Base-Base interactions energy: -257.188
where: short stacking energy: -99.813
Base-Backbone interact. energy: 1.241
local terms energy: -109.499426
where:
bonds (distance) C4'-P energy: -23.307
bonds (distance) P-C4' energy: -25.178
flat angles C4'-P-C4' energy: -20.262
flat angles P-C4'-P energy: -16.216
tors. eta vs tors. theta energy: -24.537
Dist. restrs. and SS energy: -50.400 (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: 193
Temperature: 0.950000
Total energy: -406.620744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.620744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.220744 (E_RNA)
where:
Base-Base interactions energy: -247.688
where: short stacking energy: -98.126
Base-Backbone interact. energy: -0.293
local terms energy: -108.239276
where:
bonds (distance) C4'-P energy: -23.456
bonds (distance) P-C4' energy: -14.782
flat angles C4'-P-C4' energy: -27.181
flat angles P-C4'-P energy: -14.393
tors. eta vs tors. theta energy: -28.428
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -410.423666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.423666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.023666 (E_RNA)
where:
Base-Base interactions energy: -248.435
where: short stacking energy: -95.138
Base-Backbone interact. energy: 0.627
local terms energy: -112.215642
where:
bonds (distance) C4'-P energy: -18.700
bonds (distance) P-C4' energy: -22.591
flat angles C4'-P-C4' energy: -22.041
flat angles P-C4'-P energy: -20.502
tors. eta vs tors. theta energy: -28.382
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -394.849801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.849801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.449801 (E_RNA)
where:
Base-Base interactions energy: -234.137
where: short stacking energy: -86.965
Base-Backbone interact. energy: 0.544
local terms energy: -110.856751
where:
bonds (distance) C4'-P energy: -20.356
bonds (distance) P-C4' energy: -25.242
flat angles C4'-P-C4' energy: -26.988
flat angles P-C4'-P energy: -20.825
tors. eta vs tors. theta energy: -17.446
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -360.131447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.131447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.731447 (E_RNA)
where:
Base-Base interactions energy: -213.312
where: short stacking energy: -71.693
Base-Backbone interact. energy: -0.901
local terms energy: -95.518398
where:
bonds (distance) C4'-P energy: -21.204
bonds (distance) P-C4' energy: -21.266
flat angles C4'-P-C4' energy: -22.387
flat angles P-C4'-P energy: -16.749
tors. eta vs tors. theta energy: -13.913
Dist. restrs. and SS energy: -50.400 (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: 193
Temperature: 1.150000
Total energy: -277.059936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.059936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.059936 (E_RNA)
where:
Base-Base interactions energy: -146.735
where: short stacking energy: -75.238
Base-Backbone interact. energy: -0.313
local terms energy: -94.011465
where:
bonds (distance) C4'-P energy: -16.384
bonds (distance) P-C4' energy: -21.031
flat angles C4'-P-C4' energy: -24.236
flat angles P-C4'-P energy: -14.983
tors. eta vs tors. theta energy: -17.377
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -290.402705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.402705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.402705 (E_RNA)
where:
Base-Base interactions energy: -160.698
where: short stacking energy: -75.645
Base-Backbone interact. energy: -0.035
local terms energy: -93.669295
where:
bonds (distance) C4'-P energy: -19.005
bonds (distance) P-C4' energy: -20.228
flat angles C4'-P-C4' energy: -26.241
flat angles P-C4'-P energy: -13.750
tors. eta vs tors. theta energy: -14.445
Dist. restrs. and SS energy: -36.000 (S_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: 193
Temperature: 1.250000
Total energy: -286.607051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.607051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.407051 (E_RNA)
where:
Base-Base interactions energy: -152.737
where: short stacking energy: -73.477
Base-Backbone interact. energy: -0.246
local terms energy: -99.423904
where:
bonds (distance) C4'-P energy: -22.620
bonds (distance) P-C4' energy: -24.535
flat angles C4'-P-C4' energy: -20.256
flat angles P-C4'-P energy: -16.135
tors. eta vs tors. theta energy: -15.877
Dist. restrs. and SS energy: -34.200 (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: 9
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -275.114556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.114556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.914556 (E_RNA)
where:
Base-Base interactions energy: -160.109
where: short stacking energy: -72.171
Base-Backbone interact. energy: -0.050
local terms energy: -80.755233
where:
bonds (distance) C4'-P energy: -15.119
bonds (distance) P-C4' energy: -21.352
flat angles C4'-P-C4' energy: -17.382
flat angles P-C4'-P energy: -11.677
tors. eta vs tors. theta energy: -15.225
Dist. restrs. and SS energy: -34.200 (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: 193
Temperature: 1.350000
Total energy: -259.525872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.525872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.325872 (E_RNA)
where:
Base-Base interactions energy: -145.759
where: short stacking energy: -57.626
Base-Backbone interact. energy: -0.280
local terms energy: -79.286892
where:
bonds (distance) C4'-P energy: -17.637
bonds (distance) P-C4' energy: -19.868
flat angles C4'-P-C4' energy: -19.846
flat angles P-C4'-P energy: -15.635
tors. eta vs tors. theta energy: -6.302
Dist. restrs. and SS energy: -34.200 (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: 10
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -414.895192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.895192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.295192 (E_RNA)
where:
Base-Base interactions energy: -250.642
where: short stacking energy: -96.440
Base-Backbone interact. energy: -0.871
local terms energy: -114.782264
where:
bonds (distance) C4'-P energy: -25.924
bonds (distance) P-C4' energy: -19.720
flat angles C4'-P-C4' energy: -23.408
flat angles P-C4'-P energy: -15.901
tors. eta vs tors. theta energy: -29.829
Dist. restrs. and SS energy: -48.600 (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: 3
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -404.603462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.603462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.203462 (E_RNA)
where:
Base-Base interactions energy: -244.734
where: short stacking energy: -93.658
Base-Backbone interact. energy: -0.514
local terms energy: -108.955162
where:
bonds (distance) C4'-P energy: -19.088
bonds (distance) P-C4' energy: -24.017
flat angles C4'-P-C4' energy: -22.857
flat angles P-C4'-P energy: -16.766
tors. eta vs tors. theta energy: -26.228
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -407.050287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.050287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.650287 (E_RNA)
where:
Base-Base interactions energy: -244.057
where: short stacking energy: -90.789
Base-Backbone interact. energy: -0.721
local terms energy: -111.871959
where:
bonds (distance) C4'-P energy: -22.653
bonds (distance) P-C4' energy: -22.795
flat angles C4'-P-C4' energy: -17.517
flat angles P-C4'-P energy: -17.371
tors. eta vs tors. theta energy: -31.537
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -389.680237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.680237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.280237 (E_RNA)
where:
Base-Base interactions energy: -238.571
where: short stacking energy: -88.889
Base-Backbone interact. energy: -1.002
local terms energy: -99.707091
where:
bonds (distance) C4'-P energy: -12.623
bonds (distance) P-C4' energy: -26.754
flat angles C4'-P-C4' energy: -19.322
flat angles P-C4'-P energy: -17.943
tors. eta vs tors. theta energy: -23.066
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -376.211808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.211808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.811808 (E_RNA)
where:
Base-Base interactions energy: -222.546
where: short stacking energy: -84.602
Base-Backbone interact. energy: -0.268
local terms energy: -102.998149
where:
bonds (distance) C4'-P energy: -23.402
bonds (distance) P-C4' energy: -23.856
flat angles C4'-P-C4' energy: -18.530
flat angles P-C4'-P energy: -14.489
tors. eta vs tors. theta energy: -22.720
Dist. restrs. and SS energy: -50.400 (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: 194
Temperature: 1.150000
Total energy: -280.695699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.695699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.095699 (E_RNA)
where:
Base-Base interactions energy: -154.023
where: short stacking energy: -78.530
Base-Backbone interact. energy: -0.840
local terms energy: -95.232772
where:
bonds (distance) C4'-P energy: -18.398
bonds (distance) P-C4' energy: -21.690
flat angles C4'-P-C4' energy: -19.471
flat angles P-C4'-P energy: -14.324
tors. eta vs tors. theta energy: -21.350
Dist. restrs. and SS energy: -30.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -270.339905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.339905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.139905 (E_RNA)
where:
Base-Base interactions energy: -152.813
where: short stacking energy: -68.148
Base-Backbone interact. energy: 0.105
local terms energy: -83.432469
where:
bonds (distance) C4'-P energy: -18.953
bonds (distance) P-C4' energy: -19.947
flat angles C4'-P-C4' energy: -18.648
flat angles P-C4'-P energy: -15.727
tors. eta vs tors. theta energy: -10.158
Dist. restrs. and SS energy: -34.200 (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: 6
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -273.689062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.689062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.689062 (E_RNA)
where:
Base-Base interactions energy: -156.896
where: short stacking energy: -60.696
Base-Backbone interact. energy: -0.744
local terms energy: -80.049007
where:
bonds (distance) C4'-P energy: -21.132
bonds (distance) P-C4' energy: -19.051
flat angles C4'-P-C4' energy: -16.313
flat angles P-C4'-P energy: -12.074
tors. eta vs tors. theta energy: -11.478
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -268.329868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.329868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.329868 (E_RNA)
where:
Base-Base interactions energy: -155.960
where: short stacking energy: -67.531
Base-Backbone interact. energy: -0.020
local terms energy: -76.349879
where:
bonds (distance) C4'-P energy: -17.941
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -15.110
flat angles P-C4'-P energy: -5.765
tors. eta vs tors. theta energy: -20.965
Dist. restrs. and SS energy: -36.000 (S_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: 194
Temperature: 1.350000
Total energy: -254.667578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.667578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.667578 (E_RNA)
where:
Base-Base interactions energy: -132.531
where: short stacking energy: -50.859
Base-Backbone interact. energy: -0.356
local terms energy: -85.780833
where:
bonds (distance) C4'-P energy: -19.807
bonds (distance) P-C4' energy: -21.346
flat angles C4'-P-C4' energy: -17.847
flat angles P-C4'-P energy: -15.200
tors. eta vs tors. theta energy: -11.581
Dist. restrs. and SS energy: -36.000 (S_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: -420.419640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.419640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.019640 (E_RNA)
where:
Base-Base interactions energy: -261.560
where: short stacking energy: -102.702
Base-Backbone interact. energy: -0.381
local terms energy: -108.078720
where:
bonds (distance) C4'-P energy: -22.755
bonds (distance) P-C4' energy: -20.301
flat angles C4'-P-C4' energy: -19.938
flat angles P-C4'-P energy: -16.120
tors. eta vs tors. theta energy: -28.964
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -398.633677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.633677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.233677 (E_RNA)
where:
Base-Base interactions energy: -241.536
where: short stacking energy: -94.707
Base-Backbone interact. energy: -0.792
local terms energy: -105.904884
where:
bonds (distance) C4'-P energy: -21.942
bonds (distance) P-C4' energy: -23.861
flat angles C4'-P-C4' energy: -19.225
flat angles P-C4'-P energy: -15.759
tors. eta vs tors. theta energy: -25.117
Dist. restrs. and SS energy: -50.400 (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: 3
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -402.896548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.896548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.096548 (E_RNA)
where:
Base-Base interactions energy: -243.826
where: short stacking energy: -92.324
Base-Backbone interact. energy: -0.568
local terms energy: -111.701704
where:
bonds (distance) C4'-P energy: -22.678
bonds (distance) P-C4' energy: -20.090
flat angles C4'-P-C4' energy: -24.494
flat angles P-C4'-P energy: -13.408
tors. eta vs tors. theta energy: -31.031
Dist. restrs. and SS energy: -46.800 (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: 1
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -402.731425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.731425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.331425 (E_RNA)
where:
Base-Base interactions energy: -251.207
where: short stacking energy: -102.206
Base-Backbone interact. energy: 1.381
local terms energy: -102.506015
where:
bonds (distance) C4'-P energy: -20.787
bonds (distance) P-C4' energy: -16.027
flat angles C4'-P-C4' energy: -24.665
flat angles P-C4'-P energy: -17.228
tors. eta vs tors. theta energy: -23.799
Dist. restrs. and SS energy: -50.400 (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: 195
Temperature: 1.100000
Total energy: -365.610559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.610559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.210559 (E_RNA)
where:
Base-Base interactions energy: -220.303
where: short stacking energy: -82.830
Base-Backbone interact. energy: -0.760
local terms energy: -94.147149
where:
bonds (distance) C4'-P energy: -12.296
bonds (distance) P-C4' energy: -20.674
flat angles C4'-P-C4' energy: -24.926
flat angles P-C4'-P energy: -12.841
tors. eta vs tors. theta energy: -23.410
Dist. restrs. and SS energy: -50.400 (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: 4
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -292.619287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.619287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.619287 (E_RNA)
where:
Base-Base interactions energy: -166.901
where: short stacking energy: -76.292
Base-Backbone interact. energy: -0.641
local terms energy: -89.077726
where:
bonds (distance) C4'-P energy: -15.281
bonds (distance) P-C4' energy: -23.435
flat angles C4'-P-C4' energy: -21.549
flat angles P-C4'-P energy: -13.174
tors. eta vs tors. theta energy: -15.637
Dist. restrs. and SS energy: -36.000 (S_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: 195
Temperature: 1.200000
Total energy: -242.049429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.049429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.849429 (E_RNA)
where:
Base-Base interactions energy: -127.524
where: short stacking energy: -59.225
Base-Backbone interact. energy: -1.229
local terms energy: -79.096430
where:
bonds (distance) C4'-P energy: -19.717
bonds (distance) P-C4' energy: -19.236
flat angles C4'-P-C4' energy: -21.144
flat angles P-C4'-P energy: -10.601
tors. eta vs tors. theta energy: -8.397
Dist. restrs. and SS energy: -34.200 (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: 6
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -273.715671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.715671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.515671 (E_RNA)
where:
Base-Base interactions energy: -162.209
where: short stacking energy: -68.206
Base-Backbone interact. energy: -0.328
local terms energy: -76.979028
where:
bonds (distance) C4'-P energy: -18.957
bonds (distance) P-C4' energy: -15.872
flat angles C4'-P-C4' energy: -17.133
flat angles P-C4'-P energy: -10.246
tors. eta vs tors. theta energy: -14.772
Dist. restrs. and SS energy: -34.200 (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: 9
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -260.209837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.209837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.209837 (E_RNA)
where:
Base-Base interactions energy: -150.761
where: short stacking energy: -53.851
Base-Backbone interact. energy: -0.274
local terms energy: -73.174757
where:
bonds (distance) C4'-P energy: -13.099
bonds (distance) P-C4' energy: -20.913
flat angles C4'-P-C4' energy: -20.910
flat angles P-C4'-P energy: -13.556
tors. eta vs tors. theta energy: -4.697
Dist. restrs. and SS energy: -36.000 (S_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: 195
Temperature: 1.350000
Total energy: -258.789138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.789138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.389138 (E_RNA)
where:
Base-Base interactions energy: -145.604
where: short stacking energy: -64.037
Base-Backbone interact. energy: 0.985
local terms energy: -81.769705
where:
bonds (distance) C4'-P energy: -18.293
bonds (distance) P-C4' energy: -18.874
flat angles C4'-P-C4' energy: -14.578
flat angles P-C4'-P energy: -13.542
tors. eta vs tors. theta energy: -16.482
Dist. restrs. and SS energy: -32.400 (S_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: 196
Temperature: 0.900000
Total energy: -412.730297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.730297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.330297 (E_RNA)
where:
Base-Base interactions energy: -254.881
where: short stacking energy: -90.295
Base-Backbone interact. energy: -0.316
local terms energy: -107.133817
where:
bonds (distance) C4'-P energy: -21.052
bonds (distance) P-C4' energy: -20.188
flat angles C4'-P-C4' energy: -26.730
flat angles P-C4'-P energy: -14.408
tors. eta vs tors. theta energy: -24.756
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -405.961087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.961087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.561087 (E_RNA)
where:
Base-Base interactions energy: -242.132
where: short stacking energy: -94.659
Base-Backbone interact. energy: -0.770
local terms energy: -112.658352
where:
bonds (distance) C4'-P energy: -19.530
bonds (distance) P-C4' energy: -24.343
flat angles C4'-P-C4' energy: -24.683
flat angles P-C4'-P energy: -15.076
tors. eta vs tors. theta energy: -29.026
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -391.627307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.627307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.027307 (E_RNA)
where:
Base-Base interactions energy: -235.113
where: short stacking energy: -88.628
Base-Backbone interact. energy: -1.491
local terms energy: -106.422576
where:
bonds (distance) C4'-P energy: -23.049
bonds (distance) P-C4' energy: -23.079
flat angles C4'-P-C4' energy: -20.542
flat angles P-C4'-P energy: -13.308
tors. eta vs tors. theta energy: -26.444
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -389.203252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.203252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.803252 (E_RNA)
where:
Base-Base interactions energy: -236.940
where: short stacking energy: -89.711
Base-Backbone interact. energy: -0.567
local terms energy: -101.296819
where:
bonds (distance) C4'-P energy: -16.543
bonds (distance) P-C4' energy: -24.612
flat angles C4'-P-C4' energy: -22.679
flat angles P-C4'-P energy: -12.510
tors. eta vs tors. theta energy: -24.953
Dist. restrs. and SS energy: -50.400 (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: 196
Temperature: 1.100000
Total energy: -383.660190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.660190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.260190 (E_RNA)
where:
Base-Base interactions energy: -237.447
where: short stacking energy: -84.619
Base-Backbone interact. energy: 0.467
local terms energy: -96.280352
where:
bonds (distance) C4'-P energy: -11.968
bonds (distance) P-C4' energy: -22.781
flat angles C4'-P-C4' energy: -23.451
flat angles P-C4'-P energy: -16.181
tors. eta vs tors. theta energy: -21.899
Dist. restrs. and SS energy: -50.400 (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: 4
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -290.465433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.465433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.465433 (E_RNA)
where:
Base-Base interactions energy: -168.498
where: short stacking energy: -87.208
Base-Backbone interact. energy: -0.108
local terms energy: -85.859915
where:
bonds (distance) C4'-P energy: -14.579
bonds (distance) P-C4' energy: -16.791
flat angles C4'-P-C4' energy: -22.095
flat angles P-C4'-P energy: -13.808
tors. eta vs tors. theta energy: -18.587
Dist. restrs. and SS energy: -36.000 (S_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: -295.596535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.596535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.396535 (E_RNA)
where:
Base-Base interactions energy: -170.519
where: short stacking energy: -81.772
Base-Backbone interact. energy: -0.146
local terms energy: -90.731801
where:
bonds (distance) C4'-P energy: -15.023
bonds (distance) P-C4' energy: -17.063
flat angles C4'-P-C4' energy: -21.854
flat angles P-C4'-P energy: -12.132
tors. eta vs tors. theta energy: -24.661
Dist. restrs. and SS energy: -34.200 (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: 2
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -301.028650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.028650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.228650 (E_RNA)
where:
Base-Base interactions energy: -171.785
where: short stacking energy: -65.526
Base-Backbone interact. energy: -1.093
local terms energy: -81.350747
where:
bonds (distance) C4'-P energy: -15.410
bonds (distance) P-C4' energy: -20.075
flat angles C4'-P-C4' energy: -20.873
flat angles P-C4'-P energy: -13.241
tors. eta vs tors. theta energy: -11.752
Dist. restrs. and SS energy: -46.800 (S_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: 196
Temperature: 1.300000
Total energy: -270.630566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.630566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.630566 (E_RNA)
where:
Base-Base interactions energy: -145.795
where: short stacking energy: -69.778
Base-Backbone interact. energy: -0.440
local terms energy: -88.395419
where:
bonds (distance) C4'-P energy: -25.117
bonds (distance) P-C4' energy: -20.158
flat angles C4'-P-C4' energy: -20.104
flat angles P-C4'-P energy: -11.898
tors. eta vs tors. theta energy: -11.119
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -265.371859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.371859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.371859 (E_RNA)
where:
Base-Base interactions energy: -144.437
where: short stacking energy: -64.361
Base-Backbone interact. energy: 0.728
local terms energy: -85.662241
where:
bonds (distance) C4'-P energy: -21.390
bonds (distance) P-C4' energy: -21.665
flat angles C4'-P-C4' energy: -15.907
flat angles P-C4'-P energy: -12.789
tors. eta vs tors. theta energy: -13.911
Dist. restrs. and SS energy: -36.000 (S_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: 197
Temperature: 0.900000
Total energy: -416.931538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.931538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.531538 (E_RNA)
where:
Base-Base interactions energy: -258.162
where: short stacking energy: -100.064
Base-Backbone interact. energy: -0.820
local terms energy: -107.548894
where:
bonds (distance) C4'-P energy: -18.427
bonds (distance) P-C4' energy: -19.284
flat angles C4'-P-C4' energy: -23.905
flat angles P-C4'-P energy: -18.370
tors. eta vs tors. theta energy: -27.563
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -403.633206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.633206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.233206 (E_RNA)
where:
Base-Base interactions energy: -240.834
where: short stacking energy: -102.646
Base-Backbone interact. energy: -0.027
local terms energy: -112.371955
where:
bonds (distance) C4'-P energy: -23.040
bonds (distance) P-C4' energy: -22.527
flat angles C4'-P-C4' energy: -23.394
flat angles P-C4'-P energy: -16.059
tors. eta vs tors. theta energy: -27.352
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -416.758616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.758616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.358616 (E_RNA)
where:
Base-Base interactions energy: -254.299
where: short stacking energy: -97.136
Base-Backbone interact. energy: -0.501
local terms energy: -111.558128
where:
bonds (distance) C4'-P energy: -20.127
bonds (distance) P-C4' energy: -22.485
flat angles C4'-P-C4' energy: -24.201
flat angles P-C4'-P energy: -18.388
tors. eta vs tors. theta energy: -26.357
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -393.647517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.647517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.247517 (E_RNA)
where:
Base-Base interactions energy: -234.542
where: short stacking energy: -92.833
Base-Backbone interact. energy: -0.463
local terms energy: -108.242573
where:
bonds (distance) C4'-P energy: -21.996
bonds (distance) P-C4' energy: -24.758
flat angles C4'-P-C4' energy: -23.028
flat angles P-C4'-P energy: -14.155
tors. eta vs tors. theta energy: -24.306
Dist. restrs. and SS energy: -50.400 (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: 197
Temperature: 1.100000
Total energy: -384.331444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.331444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.931444 (E_RNA)
where:
Base-Base interactions energy: -235.399
where: short stacking energy: -86.867
Base-Backbone interact. energy: -0.727
local terms energy: -97.804845
where:
bonds (distance) C4'-P energy: -13.910
bonds (distance) P-C4' energy: -22.185
flat angles C4'-P-C4' energy: -22.802
flat angles P-C4'-P energy: -14.627
tors. eta vs tors. theta energy: -24.281
Dist. restrs. and SS energy: -50.400 (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: 6
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -300.642411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.642411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.642411 (E_RNA)
where:
Base-Base interactions energy: -174.009
where: short stacking energy: -82.728
Base-Backbone interact. energy: -0.114
local terms energy: -90.520323
where:
bonds (distance) C4'-P energy: -20.367
bonds (distance) P-C4' energy: -17.805
flat angles C4'-P-C4' energy: -18.879
flat angles P-C4'-P energy: -14.102
tors. eta vs tors. theta energy: -19.367
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -286.472885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.472885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.472885 (E_RNA)
where:
Base-Base interactions energy: -161.769
where: short stacking energy: -76.560
Base-Backbone interact. energy: -0.298
local terms energy: -88.405382
where:
bonds (distance) C4'-P energy: -11.642
bonds (distance) P-C4' energy: -21.462
flat angles C4'-P-C4' energy: -20.935
flat angles P-C4'-P energy: -14.440
tors. eta vs tors. theta energy: -19.926
Dist. restrs. and SS energy: -36.000 (S_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: 197
Temperature: 1.250000
Total energy: -262.398673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.398673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.398673 (E_RNA)
where:
Base-Base interactions energy: -150.357
where: short stacking energy: -67.205
Base-Backbone interact. energy: 0.474
local terms energy: -76.515464
where:
bonds (distance) C4'-P energy: -19.717
bonds (distance) P-C4' energy: -19.421
flat angles C4'-P-C4' energy: -16.450
flat angles P-C4'-P energy: -9.990
tors. eta vs tors. theta energy: -10.938
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -290.790953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.790953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.390953 (E_RNA)
where:
Base-Base interactions energy: -160.397
where: short stacking energy: -70.021
Base-Backbone interact. energy: -0.410
local terms energy: -88.584116
where:
bonds (distance) C4'-P energy: -19.008
bonds (distance) P-C4' energy: -25.547
flat angles C4'-P-C4' energy: -22.138
flat angles P-C4'-P energy: -7.764
tors. eta vs tors. theta energy: -14.128
Dist. restrs. and SS energy: -41.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -245.970421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.970421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.970421 (E_RNA)
where:
Base-Base interactions energy: -124.826
where: short stacking energy: -56.312
Base-Backbone interact. energy: -0.215
local terms energy: -84.929112
where:
bonds (distance) C4'-P energy: -21.509
bonds (distance) P-C4' energy: -20.527
flat angles C4'-P-C4' energy: -16.491
flat angles P-C4'-P energy: -17.823
tors. eta vs tors. theta energy: -8.580
Dist. restrs. and SS energy: -36.000 (S_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: 198
Temperature: 0.900000
Total energy: -417.162603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.162603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.562603 (E_RNA)
where:
Base-Base interactions energy: -256.231
where: short stacking energy: -94.861
Base-Backbone interact. energy: -0.589
local terms energy: -111.742438
where:
bonds (distance) C4'-P energy: -26.471
bonds (distance) P-C4' energy: -18.684
flat angles C4'-P-C4' energy: -23.399
flat angles P-C4'-P energy: -15.919
tors. eta vs tors. theta energy: -27.269
Dist. restrs. and SS energy: -48.600 (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: 10
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -402.298759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.298759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.898759 (E_RNA)
where:
Base-Base interactions energy: -257.095
where: short stacking energy: -86.889
Base-Backbone interact. energy: -1.829
local terms energy: -92.974866
where:
bonds (distance) C4'-P energy: -18.454
bonds (distance) P-C4' energy: -16.036
flat angles C4'-P-C4' energy: -16.503
flat angles P-C4'-P energy: -15.561
tors. eta vs tors. theta energy: -26.421
Dist. restrs. and SS energy: -50.400 (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: 3
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -402.912430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.912430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.512430 (E_RNA)
where:
Base-Base interactions energy: -246.015
where: short stacking energy: -93.690
Base-Backbone interact. energy: -0.310
local terms energy: -106.186900
where:
bonds (distance) C4'-P energy: -21.531
bonds (distance) P-C4' energy: -25.711
flat angles C4'-P-C4' energy: -20.202
flat angles P-C4'-P energy: -11.581
tors. eta vs tors. theta energy: -27.163
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -392.140555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.140555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.540555 (E_RNA)
where:
Base-Base interactions energy: -246.192
where: short stacking energy: -94.364
Base-Backbone interact. energy: -0.399
local terms energy: -96.949064
where:
bonds (distance) C4'-P energy: -14.882
bonds (distance) P-C4' energy: -20.452
flat angles C4'-P-C4' energy: -22.829
flat angles P-C4'-P energy: -11.041
tors. eta vs tors. theta energy: -27.745
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -379.716208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.716208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.316208 (E_RNA)
where:
Base-Base interactions energy: -224.642
where: short stacking energy: -90.658
Base-Backbone interact. energy: -1.025
local terms energy: -103.648347
where:
bonds (distance) C4'-P energy: -23.323
bonds (distance) P-C4' energy: -22.593
flat angles C4'-P-C4' energy: -17.439
flat angles P-C4'-P energy: -14.797
tors. eta vs tors. theta energy: -25.497
Dist. restrs. and SS energy: -50.400 (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: 6
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -309.326932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.326932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.526932 (E_RNA)
where:
Base-Base interactions energy: -170.139
where: short stacking energy: -82.047
Base-Backbone interact. energy: -0.404
local terms energy: -100.983165
where:
bonds (distance) C4'-P energy: -19.462
bonds (distance) P-C4' energy: -23.636
flat angles C4'-P-C4' energy: -24.848
flat angles P-C4'-P energy: -16.265
tors. eta vs tors. theta energy: -16.772
Dist. restrs. and SS energy: -37.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -270.172969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.172969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.172969 (E_RNA)
where:
Base-Base interactions energy: -156.214
where: short stacking energy: -67.489
Base-Backbone interact. energy: -0.624
local terms energy: -77.335056
where:
bonds (distance) C4'-P energy: -16.464
bonds (distance) P-C4' energy: -20.995
flat angles C4'-P-C4' energy: -11.059
flat angles P-C4'-P energy: -17.111
tors. eta vs tors. theta energy: -11.706
Dist. restrs. and SS energy: -36.000 (S_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: 198
Temperature: 1.250000
Total energy: -266.401131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.401131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.401131 (E_RNA)
where:
Base-Base interactions energy: -141.527
where: short stacking energy: -67.213
Base-Backbone interact. energy: -0.224
local terms energy: -88.650122
where:
bonds (distance) C4'-P energy: -18.770
bonds (distance) P-C4' energy: -23.515
flat angles C4'-P-C4' energy: -22.663
flat angles P-C4'-P energy: -12.232
tors. eta vs tors. theta energy: -11.470
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -251.385174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.385174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.385174 (E_RNA)
where:
Base-Base interactions energy: -136.659
where: short stacking energy: -53.767
Base-Backbone interact. energy: -0.319
local terms energy: -78.406814
where:
bonds (distance) C4'-P energy: -19.191
bonds (distance) P-C4' energy: -21.676
flat angles C4'-P-C4' energy: -19.995
flat angles P-C4'-P energy: -9.592
tors. eta vs tors. theta energy: -7.952
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -281.784845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.784845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.584845 (E_RNA)
where:
Base-Base interactions energy: -156.096
where: short stacking energy: -66.124
Base-Backbone interact. energy: -0.095
local terms energy: -82.393285
where:
bonds (distance) C4'-P energy: -21.083
bonds (distance) P-C4' energy: -15.445
flat angles C4'-P-C4' energy: -19.990
flat angles P-C4'-P energy: -12.465
tors. eta vs tors. theta energy: -13.410
Dist. restrs. and SS energy: -43.200 (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: 199
Temperature: 0.900000
Total energy: -423.537733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.537733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.137733 (E_RNA)
where:
Base-Base interactions energy: -250.027
where: short stacking energy: -105.620
Base-Backbone interact. energy: -1.060
local terms energy: -122.050989
where:
bonds (distance) C4'-P energy: -22.512
bonds (distance) P-C4' energy: -24.952
flat angles C4'-P-C4' energy: -25.219
flat angles P-C4'-P energy: -17.859
tors. eta vs tors. theta energy: -31.510
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -407.487112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.487112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.087112 (E_RNA)
where:
Base-Base interactions energy: -253.396
where: short stacking energy: -90.928
Base-Backbone interact. energy: 1.111
local terms energy: -104.801934
where:
bonds (distance) C4'-P energy: -20.107
bonds (distance) P-C4' energy: -23.635
flat angles C4'-P-C4' energy: -18.813
flat angles P-C4'-P energy: -17.060
tors. eta vs tors. theta energy: -25.187
Dist. restrs. and SS energy: -50.400 (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: 3
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -397.660253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.660253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.060253 (E_RNA)
where:
Base-Base interactions energy: -238.022
where: short stacking energy: -94.171
Base-Backbone interact. energy: 0.945
local terms energy: -111.983173
where:
bonds (distance) C4'-P energy: -20.463
bonds (distance) P-C4' energy: -26.306
flat angles C4'-P-C4' energy: -25.227
flat angles P-C4'-P energy: -12.013
tors. eta vs tors. theta energy: -27.974
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -360.682438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.682438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.882438 (E_RNA)
where:
Base-Base interactions energy: -216.532
where: short stacking energy: -84.119
Base-Backbone interact. energy: -0.415
local terms energy: -96.935073
where:
bonds (distance) C4'-P energy: -20.875
bonds (distance) P-C4' energy: -23.300
flat angles C4'-P-C4' energy: -22.274
flat angles P-C4'-P energy: -12.523
tors. eta vs tors. theta energy: -17.964
Dist. restrs. and SS energy: -46.800 (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: 199
Temperature: 1.100000
Total energy: -385.081854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.081854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.681854 (E_RNA)
where:
Base-Base interactions energy: -241.079
where: short stacking energy: -92.626
Base-Backbone interact. energy: -1.296
local terms energy: -92.307440
where:
bonds (distance) C4'-P energy: -18.010
bonds (distance) P-C4' energy: -15.416
flat angles C4'-P-C4' energy: -19.734
flat angles P-C4'-P energy: -13.910
tors. eta vs tors. theta energy: -25.238
Dist. restrs. and SS energy: -50.400 (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: 6
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -310.213109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.213109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.213109 (E_RNA)
where:
Base-Base interactions energy: -182.340
where: short stacking energy: -83.949
Base-Backbone interact. energy: -1.517
local terms energy: -90.355478
where:
bonds (distance) C4'-P energy: -18.139
bonds (distance) P-C4' energy: -20.048
flat angles C4'-P-C4' energy: -20.335
flat angles P-C4'-P energy: -10.732
tors. eta vs tors. theta energy: -21.102
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -269.491224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.491224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.491224 (E_RNA)
where:
Base-Base interactions energy: -150.743
where: short stacking energy: -56.343
Base-Backbone interact. energy: -0.272
local terms energy: -82.475813
where:
bonds (distance) C4'-P energy: -20.853
bonds (distance) P-C4' energy: -25.111
flat angles C4'-P-C4' energy: -12.734
flat angles P-C4'-P energy: -10.366
tors. eta vs tors. theta energy: -13.411
Dist. restrs. and SS energy: -36.000 (S_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: 199
Temperature: 1.250000
Total energy: -265.131862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.131862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.131862 (E_RNA)
where:
Base-Base interactions energy: -150.154
where: short stacking energy: -60.616
Base-Backbone interact. energy: -1.865
local terms energy: -77.113431
where:
bonds (distance) C4'-P energy: -15.786
bonds (distance) P-C4' energy: -19.010
flat angles C4'-P-C4' energy: -15.310
flat angles P-C4'-P energy: -12.347
tors. eta vs tors. theta energy: -14.660
Dist. restrs. and SS energy: -36.000 (S_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: 199
Temperature: 1.300000
Total energy: -262.618883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.618883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.418883 (E_RNA)
where:
Base-Base interactions energy: -143.224
where: short stacking energy: -59.168
Base-Backbone interact. energy: -0.242
local terms energy: -84.953032
where:
bonds (distance) C4'-P energy: -20.521
bonds (distance) P-C4' energy: -18.665
flat angles C4'-P-C4' energy: -17.684
flat angles P-C4'-P energy: -16.188
tors. eta vs tors. theta energy: -11.895
Dist. restrs. and SS energy: -34.200 (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: 2
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -253.170254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.170254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.570254 (E_RNA)
where:
Base-Base interactions energy: -145.655
where: short stacking energy: -57.686
Base-Backbone interact. energy: -0.305
local terms energy: -67.610387
where:
bonds (distance) C4'-P energy: -18.760
bonds (distance) P-C4' energy: -21.403
flat angles C4'-P-C4' energy: -13.011
flat angles P-C4'-P energy: -4.292
tors. eta vs tors. theta energy: -10.145
Dist. restrs. and SS energy: -39.600 (S_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: 200
Temperature: 0.900000
Total energy: -415.695941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.695941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.295941 (E_RNA)
where:
Base-Base interactions energy: -251.488
where: short stacking energy: -102.860
Base-Backbone interact. energy: 1.624
local terms energy: -115.432213
where:
bonds (distance) C4'-P energy: -24.743
bonds (distance) P-C4' energy: -21.795
flat angles C4'-P-C4' energy: -27.159
flat angles P-C4'-P energy: -15.005
tors. eta vs tors. theta energy: -26.731
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -415.478793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.478793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.078793 (E_RNA)
where:
Base-Base interactions energy: -251.769
where: short stacking energy: -97.938
Base-Backbone interact. energy: -1.266
local terms energy: -112.043897
where:
bonds (distance) C4'-P energy: -17.579
bonds (distance) P-C4' energy: -26.810
flat angles C4'-P-C4' energy: -23.399
flat angles P-C4'-P energy: -15.660
tors. eta vs tors. theta energy: -28.596
Dist. restrs. and SS energy: -50.400 (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: 200
Temperature: 1.000000
Total energy: -378.810098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.810098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.210098 (E_RNA)
where:
Base-Base interactions energy: -228.906
where: short stacking energy: -90.925
Base-Backbone interact. energy: -0.857
local terms energy: -100.446867
where:
bonds (distance) C4'-P energy: -22.567
bonds (distance) P-C4' energy: -20.194
flat angles C4'-P-C4' energy: -21.210
flat angles P-C4'-P energy: -13.159
tors. eta vs tors. theta energy: -23.317
Dist. restrs. and SS energy: -48.600 (S_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: 200
Temperature: 1.050000
Total energy: -399.058818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.058818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.658818 (E_RNA)
where:
Base-Base interactions energy: -241.763
where: short stacking energy: -95.987
Base-Backbone interact. energy: 1.370
local terms energy: -108.265532
where:
bonds (distance) C4'-P energy: -21.410
bonds (distance) P-C4' energy: -23.859
flat angles C4'-P-C4' energy: -22.753
flat angles P-C4'-P energy: -11.447
tors. eta vs tors. theta energy: -28.796
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -379.120174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.120174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.720174 (E_RNA)
where:
Base-Base interactions energy: -230.081
where: short stacking energy: -89.859
Base-Backbone interact. energy: -0.171
local terms energy: -98.468887
where:
bonds (distance) C4'-P energy: -15.101
bonds (distance) P-C4' energy: -20.903
flat angles C4'-P-C4' energy: -20.744
flat angles P-C4'-P energy: -20.487
tors. eta vs tors. theta energy: -21.233
Dist. restrs. and SS energy: -50.400 (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: 6
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -306.088925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.088925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.088925 (E_RNA)
where:
Base-Base interactions energy: -171.028
where: short stacking energy: -85.741
Base-Backbone interact. energy: -0.158
local terms energy: -98.903171
where:
bonds (distance) C4'-P energy: -23.074
bonds (distance) P-C4' energy: -17.070
flat angles C4'-P-C4' energy: -20.119
flat angles P-C4'-P energy: -16.002
tors. eta vs tors. theta energy: -22.638
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -289.040103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.040103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.440103 (E_RNA)
where:
Base-Base interactions energy: -168.148
where: short stacking energy: -78.003
Base-Backbone interact. energy: -0.148
local terms energy: -90.143758
where:
bonds (distance) C4'-P energy: -18.293
bonds (distance) P-C4' energy: -16.560
flat angles C4'-P-C4' energy: -21.724
flat angles P-C4'-P energy: -15.613
tors. eta vs tors. theta energy: -17.954
Dist. restrs. and SS energy: -30.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -265.437043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.437043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.437043 (E_RNA)
where:
Base-Base interactions energy: -147.138
where: short stacking energy: -63.109
Base-Backbone interact. energy: -0.633
local terms energy: -81.665798
where:
bonds (distance) C4'-P energy: -18.804
bonds (distance) P-C4' energy: -21.274
flat angles C4'-P-C4' energy: -17.541
flat angles P-C4'-P energy: -9.936
tors. eta vs tors. theta energy: -14.111
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -272.983492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.983492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.383492 (E_RNA)
where:
Base-Base interactions energy: -156.027
where: short stacking energy: -70.494
Base-Backbone interact. energy: -0.241
local terms energy: -86.115219
where:
bonds (distance) C4'-P energy: -16.343
bonds (distance) P-C4' energy: -17.778
flat angles C4'-P-C4' energy: -20.214
flat angles P-C4'-P energy: -13.923
tors. eta vs tors. theta energy: -17.857
Dist. restrs. and SS energy: -30.600 (S_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: 200
Temperature: 1.350000
Total energy: -259.531194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.531194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.531194 (E_RNA)
where:
Base-Base interactions energy: -143.821
where: short stacking energy: -67.236
Base-Backbone interact. energy: -0.280
local terms energy: -79.430127
where:
bonds (distance) C4'-P energy: -15.193
bonds (distance) P-C4' energy: -18.418
flat angles C4'-P-C4' energy: -22.876
flat angles P-C4'-P energy: -5.213
tors. eta vs tors. theta energy: -17.731
Dist. restrs. and SS energy: -36.000 (S_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: 201
Temperature: 0.900000
Total energy: -424.779505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.779505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.379505 (E_RNA)
where:
Base-Base interactions energy: -257.010
where: short stacking energy: -105.020
Base-Backbone interact. energy: -0.333
local terms energy: -117.036477
where:
bonds (distance) C4'-P energy: -25.639
bonds (distance) P-C4' energy: -23.118
flat angles C4'-P-C4' energy: -22.717
flat angles P-C4'-P energy: -17.016
tors. eta vs tors. theta energy: -28.546
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -410.625168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.625168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.225168 (E_RNA)
where:
Base-Base interactions energy: -245.690
where: short stacking energy: -99.714
Base-Backbone interact. energy: -0.783
local terms energy: -113.751593
where:
bonds (distance) C4'-P energy: -19.859
bonds (distance) P-C4' energy: -21.537
flat angles C4'-P-C4' energy: -28.312
flat angles P-C4'-P energy: -17.874
tors. eta vs tors. theta energy: -26.170
Dist. restrs. and SS energy: -50.400 (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: 201
Temperature: 1.000000
Total energy: -382.526906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.526906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.926906 (E_RNA)
where:
Base-Base interactions energy: -233.835
where: short stacking energy: -91.774
Base-Backbone interact. energy: -0.343
local terms energy: -99.748675
where:
bonds (distance) C4'-P energy: -20.144
bonds (distance) P-C4' energy: -23.150
flat angles C4'-P-C4' energy: -18.437
flat angles P-C4'-P energy: -13.296
tors. eta vs tors. theta energy: -24.722
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -386.306346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.306346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.906346 (E_RNA)
where:
Base-Base interactions energy: -226.171
where: short stacking energy: -88.404
Base-Backbone interact. energy: -1.259
local terms energy: -108.475930
where:
bonds (distance) C4'-P energy: -20.425
bonds (distance) P-C4' energy: -22.108
flat angles C4'-P-C4' energy: -24.758
flat angles P-C4'-P energy: -17.725
tors. eta vs tors. theta energy: -23.459
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -338.582544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.582544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.982544 (E_RNA)
where:
Base-Base interactions energy: -194.723
where: short stacking energy: -87.117
Base-Backbone interact. energy: -0.555
local terms energy: -94.703872
where:
bonds (distance) C4'-P energy: -21.225
bonds (distance) P-C4' energy: -19.602
flat angles C4'-P-C4' energy: -18.003
flat angles P-C4'-P energy: -12.232
tors. eta vs tors. theta energy: -23.642
Dist. restrs. and SS energy: -48.600 (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: 9
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -279.682202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.682202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.682202 (E_RNA)
where:
Base-Base interactions energy: -153.594
where: short stacking energy: -59.077
Base-Backbone interact. energy: -0.910
local terms energy: -89.177730
where:
bonds (distance) C4'-P energy: -21.803
bonds (distance) P-C4' energy: -20.388
flat angles C4'-P-C4' energy: -16.972
flat angles P-C4'-P energy: -17.379
tors. eta vs tors. theta energy: -12.635
Dist. restrs. and SS energy: -36.000 (S_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: 201
Temperature: 1.200000
Total energy: -284.158830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.158830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.758830 (E_RNA)
where:
Base-Base interactions energy: -159.448
where: short stacking energy: -71.046
Base-Backbone interact. energy: -0.057
local terms energy: -92.253673
where:
bonds (distance) C4'-P energy: -18.992
bonds (distance) P-C4' energy: -18.071
flat angles C4'-P-C4' energy: -18.377
flat angles P-C4'-P energy: -21.701
tors. eta vs tors. theta energy: -15.112
Dist. restrs. and SS energy: -32.400 (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: 2
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -277.199853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.199853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.199853 (E_RNA)
where:
Base-Base interactions energy: -154.280
where: short stacking energy: -74.298
Base-Backbone interact. energy: 0.387
local terms energy: -87.307067
where:
bonds (distance) C4'-P energy: -17.916
bonds (distance) P-C4' energy: -23.505
flat angles C4'-P-C4' energy: -16.977
flat angles P-C4'-P energy: -14.655
tors. eta vs tors. theta energy: -14.254
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -256.224277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.224277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.024277 (E_RNA)
where:
Base-Base interactions energy: -140.981
where: short stacking energy: -54.556
Base-Backbone interact. energy: -0.615
local terms energy: -80.427810
where:
bonds (distance) C4'-P energy: -23.184
bonds (distance) P-C4' energy: -19.138
flat angles C4'-P-C4' energy: -15.182
flat angles P-C4'-P energy: -16.173
tors. eta vs tors. theta energy: -6.752
Dist. restrs. and SS energy: -34.200 (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: 201
Temperature: 1.350000
Total energy: -236.041532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.041532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.041532 (E_RNA)
where:
Base-Base interactions energy: -120.450
where: short stacking energy: -54.682
Base-Backbone interact. energy: -1.721
local terms energy: -77.870221
where:
bonds (distance) C4'-P energy: -16.543
bonds (distance) P-C4' energy: -26.000
flat angles C4'-P-C4' energy: -20.286
flat angles P-C4'-P energy: -10.326
tors. eta vs tors. theta energy: -4.716
Dist. restrs. and SS energy: -36.000 (S_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: 202
Temperature: 0.900000
Total energy: -417.408279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.408279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.808279 (E_RNA)
where:
Base-Base interactions energy: -260.530
where: short stacking energy: -98.445
Base-Backbone interact. energy: 0.293
local terms energy: -108.571999
where:
bonds (distance) C4'-P energy: -18.826
bonds (distance) P-C4' energy: -22.531
flat angles C4'-P-C4' energy: -21.642
flat angles P-C4'-P energy: -17.938
tors. eta vs tors. theta energy: -27.636
Dist. restrs. and SS energy: -48.600 (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: 1
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -419.828136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.828136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.428136 (E_RNA)
where:
Base-Base interactions energy: -257.098
where: short stacking energy: -99.578
Base-Backbone interact. energy: -0.717
local terms energy: -111.613024
where:
bonds (distance) C4'-P energy: -24.119
bonds (distance) P-C4' energy: -20.652
flat angles C4'-P-C4' energy: -23.433
flat angles P-C4'-P energy: -18.101
tors. eta vs tors. theta energy: -25.308
Dist. restrs. and SS energy: -50.400 (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: 3
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -386.047201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.047201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.047201 (E_RNA)
where:
Base-Base interactions energy: -233.444
where: short stacking energy: -91.012
Base-Backbone interact. energy: -0.615
local terms energy: -106.988333
where:
bonds (distance) C4'-P energy: -16.309
bonds (distance) P-C4' energy: -24.446
flat angles C4'-P-C4' energy: -22.156
flat angles P-C4'-P energy: -17.857
tors. eta vs tors. theta energy: -26.220
Dist. restrs. and SS energy: -45.000 (S_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: 202
Temperature: 1.050000
Total energy: -372.125991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.125991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.725991 (E_RNA)
where:
Base-Base interactions energy: -221.282
where: short stacking energy: -84.928
Base-Backbone interact. energy: -0.701
local terms energy: -99.742564
where:
bonds (distance) C4'-P energy: -12.660
bonds (distance) P-C4' energy: -26.562
flat angles C4'-P-C4' energy: -24.870
flat angles P-C4'-P energy: -11.667
tors. eta vs tors. theta energy: -23.984
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -387.967608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.967608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.567608 (E_RNA)
where:
Base-Base interactions energy: -232.441
where: short stacking energy: -83.454
Base-Backbone interact. energy: -1.588
local terms energy: -103.538938
where:
bonds (distance) C4'-P energy: -20.903
bonds (distance) P-C4' energy: -21.863
flat angles C4'-P-C4' energy: -17.547
flat angles P-C4'-P energy: -15.712
tors. eta vs tors. theta energy: -27.514
Dist. restrs. and SS energy: -50.400 (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: 9
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -292.746277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.746277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.746277 (E_RNA)
where:
Base-Base interactions energy: -150.161
where: short stacking energy: -69.708
Base-Backbone interact. energy: -0.024
local terms energy: -106.561787
where:
bonds (distance) C4'-P energy: -25.471
bonds (distance) P-C4' energy: -22.158
flat angles C4'-P-C4' energy: -23.437
flat angles P-C4'-P energy: -19.800
tors. eta vs tors. theta energy: -15.695
Dist. restrs. and SS energy: -36.000 (S_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: 202
Temperature: 1.200000
Total energy: -277.048946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.048946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.848946 (E_RNA)
where:
Base-Base interactions energy: -149.270
where: short stacking energy: -62.121
Base-Backbone interact. energy: 0.729
local terms energy: -94.307723
where:
bonds (distance) C4'-P energy: -19.432
bonds (distance) P-C4' energy: -24.712
flat angles C4'-P-C4' energy: -20.826
flat angles P-C4'-P energy: -13.413
tors. eta vs tors. theta energy: -15.923
Dist. restrs. and SS energy: -34.200 (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: 6
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -266.146483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.146483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.146483 (E_RNA)
where:
Base-Base interactions energy: -139.971
where: short stacking energy: -65.468
Base-Backbone interact. energy: 1.297
local terms energy: -91.472654
where:
bonds (distance) C4'-P energy: -24.242
bonds (distance) P-C4' energy: -24.836
flat angles C4'-P-C4' energy: -18.931
flat angles P-C4'-P energy: -14.119
tors. eta vs tors. theta energy: -9.345
Dist. restrs. and SS energy: -36.000 (S_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: 202
Temperature: 1.300000
Total energy: -266.236504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.236504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.836504 (E_RNA)
where:
Base-Base interactions energy: -131.584
where: short stacking energy: -55.356
Base-Backbone interact. energy: -0.174
local terms energy: -93.078321
where:
bonds (distance) C4'-P energy: -22.910
bonds (distance) P-C4' energy: -21.388
flat angles C4'-P-C4' energy: -23.111
flat angles P-C4'-P energy: -10.812
tors. eta vs tors. theta energy: -14.857
Dist. restrs. and SS energy: -41.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -259.010742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.010742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.010742 (E_RNA)
where:
Base-Base interactions energy: -148.454
where: short stacking energy: -55.445
Base-Backbone interact. energy: -0.194
local terms energy: -74.362607
where:
bonds (distance) C4'-P energy: -16.610
bonds (distance) P-C4' energy: -18.869
flat angles C4'-P-C4' energy: -15.314
flat angles P-C4'-P energy: -12.987
tors. eta vs tors. theta energy: -10.583
Dist. restrs. and SS energy: -36.000 (S_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: 203
Temperature: 0.900000
Total energy: -422.305521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.305521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.905521 (E_RNA)
where:
Base-Base interactions energy: -259.430
where: short stacking energy: -99.221
Base-Backbone interact. energy: -0.465
local terms energy: -112.009761
where:
bonds (distance) C4'-P energy: -21.800
bonds (distance) P-C4' energy: -22.714
flat angles C4'-P-C4' energy: -21.174
flat angles P-C4'-P energy: -19.385
tors. eta vs tors. theta energy: -26.937
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -406.638275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.638275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.038275 (E_RNA)
where:
Base-Base interactions energy: -247.220
where: short stacking energy: -98.348
Base-Backbone interact. energy: -1.060
local terms energy: -109.758651
where:
bonds (distance) C4'-P energy: -21.044
bonds (distance) P-C4' energy: -21.103
flat angles C4'-P-C4' energy: -26.534
flat angles P-C4'-P energy: -14.073
tors. eta vs tors. theta energy: -27.006
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -398.090656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.090656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.490656 (E_RNA)
where:
Base-Base interactions energy: -234.904
where: short stacking energy: -92.941
Base-Backbone interact. energy: -0.326
local terms energy: -114.260031
where:
bonds (distance) C4'-P energy: -21.521
bonds (distance) P-C4' energy: -28.031
flat angles C4'-P-C4' energy: -25.996
flat angles P-C4'-P energy: -13.737
tors. eta vs tors. theta energy: -24.974
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -393.724736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.724736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.124736 (E_RNA)
where:
Base-Base interactions energy: -236.446
where: short stacking energy: -99.245
Base-Backbone interact. energy: -0.485
local terms energy: -108.193675
where:
bonds (distance) C4'-P energy: -20.236
bonds (distance) P-C4' energy: -18.329
flat angles C4'-P-C4' energy: -24.241
flat angles P-C4'-P energy: -14.738
tors. eta vs tors. theta energy: -30.650
Dist. restrs. and SS energy: -48.600 (S_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: 203
Temperature: 1.100000
Total energy: -378.264851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.264851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.864851 (E_RNA)
where:
Base-Base interactions energy: -220.808
where: short stacking energy: -90.922
Base-Backbone interact. energy: 0.254
local terms energy: -107.310892
where:
bonds (distance) C4'-P energy: -21.009
bonds (distance) P-C4' energy: -24.858
flat angles C4'-P-C4' energy: -19.273
flat angles P-C4'-P energy: -16.467
tors. eta vs tors. theta energy: -25.703
Dist. restrs. and SS energy: -50.400 (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: 9
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -305.049617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.049617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.849617 (E_RNA)
where:
Base-Base interactions energy: -175.247
where: short stacking energy: -77.127
Base-Backbone interact. energy: -0.529
local terms energy: -95.073789
where:
bonds (distance) C4'-P energy: -22.148
bonds (distance) P-C4' energy: -22.542
flat angles C4'-P-C4' energy: -18.741
flat angles P-C4'-P energy: -15.577
tors. eta vs tors. theta energy: -16.065
Dist. restrs. and SS energy: -34.200 (S_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: 203
Temperature: 1.200000
Total energy: -261.575544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.575544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.575544 (E_RNA)
where:
Base-Base interactions energy: -149.319
where: short stacking energy: -65.313
Base-Backbone interact. energy: -0.593
local terms energy: -75.663706
where:
bonds (distance) C4'-P energy: -22.756
bonds (distance) P-C4' energy: -14.177
flat angles C4'-P-C4' energy: -18.255
flat angles P-C4'-P energy: -8.726
tors. eta vs tors. theta energy: -11.751
Dist. restrs. and SS energy: -36.000 (S_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: -269.114552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.114552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.114552 (E_RNA)
where:
Base-Base interactions energy: -158.462
where: short stacking energy: -75.386
Base-Backbone interact. energy: -0.862
local terms energy: -73.790500
where:
bonds (distance) C4'-P energy: -8.045
bonds (distance) P-C4' energy: -19.500
flat angles C4'-P-C4' energy: -21.756
flat angles P-C4'-P energy: -9.431
tors. eta vs tors. theta energy: -15.059
Dist. restrs. and SS energy: -36.000 (S_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: 203
Temperature: 1.300000
Total energy: -258.638515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.638515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.238515 (E_RNA)
where:
Base-Base interactions energy: -136.098
where: short stacking energy: -58.411
Base-Backbone interact. energy: -0.369
local terms energy: -89.771510
where:
bonds (distance) C4'-P energy: -23.627
bonds (distance) P-C4' energy: -21.857
flat angles C4'-P-C4' energy: -20.123
flat angles P-C4'-P energy: -16.210
tors. eta vs tors. theta energy: -7.955
Dist. restrs. and SS energy: -32.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -235.730815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.730815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.730815 (E_RNA)
where:
Base-Base interactions energy: -127.409
where: short stacking energy: -57.639
Base-Backbone interact. energy: 2.441
local terms energy: -74.762497
where:
bonds (distance) C4'-P energy: -17.643
bonds (distance) P-C4' energy: -21.562
flat angles C4'-P-C4' energy: -20.152
flat angles P-C4'-P energy: -11.792
tors. eta vs tors. theta energy: -3.613
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -427.049825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.049825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.649825 (E_RNA)
where:
Base-Base interactions energy: -256.480
where: short stacking energy: -102.618
Base-Backbone interact. energy: -0.616
local terms energy: -119.553801
where:
bonds (distance) C4'-P energy: -23.522
bonds (distance) P-C4' energy: -25.836
flat angles C4'-P-C4' energy: -26.201
flat angles P-C4'-P energy: -19.066
tors. eta vs tors. theta energy: -24.928
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -403.698366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.698366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.298366 (E_RNA)
where:
Base-Base interactions energy: -258.928
where: short stacking energy: -101.456
Base-Backbone interact. energy: -0.063
local terms energy: -94.308340
where:
bonds (distance) C4'-P energy: -19.796
bonds (distance) P-C4' energy: -20.192
flat angles C4'-P-C4' energy: -21.117
flat angles P-C4'-P energy: -10.202
tors. eta vs tors. theta energy: -23.002
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -398.654166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.654166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.254166 (E_RNA)
where:
Base-Base interactions energy: -243.068
where: short stacking energy: -96.037
Base-Backbone interact. energy: -0.940
local terms energy: -104.247003
where:
bonds (distance) C4'-P energy: -18.081
bonds (distance) P-C4' energy: -20.035
flat angles C4'-P-C4' energy: -24.977
flat angles P-C4'-P energy: -15.150
tors. eta vs tors. theta energy: -26.003
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -400.675791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.675791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.275791 (E_RNA)
where:
Base-Base interactions energy: -245.138
where: short stacking energy: -90.967
Base-Backbone interact. energy: -0.629
local terms energy: -104.508778
where:
bonds (distance) C4'-P energy: -20.058
bonds (distance) P-C4' energy: -22.039
flat angles C4'-P-C4' energy: -21.290
flat angles P-C4'-P energy: -14.638
tors. eta vs tors. theta energy: -26.484
Dist. restrs. and SS energy: -50.400 (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: 204
Temperature: 1.100000
Total energy: -373.015553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.015553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.415553 (E_RNA)
where:
Base-Base interactions energy: -226.659
where: short stacking energy: -86.049
Base-Backbone interact. energy: -0.239
local terms energy: -97.517599
where:
bonds (distance) C4'-P energy: -19.876
bonds (distance) P-C4' energy: -23.076
flat angles C4'-P-C4' energy: -22.089
flat angles P-C4'-P energy: -12.253
tors. eta vs tors. theta energy: -20.224
Dist. restrs. and SS energy: -48.600 (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: 9
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -281.453312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.453312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.253312 (E_RNA)
where:
Base-Base interactions energy: -158.633
where: short stacking energy: -67.872
Base-Backbone interact. energy: -0.866
local terms energy: -87.754316
where:
bonds (distance) C4'-P energy: -21.043
bonds (distance) P-C4' energy: -24.510
flat angles C4'-P-C4' energy: -20.768
flat angles P-C4'-P energy: -13.051
tors. eta vs tors. theta energy: -8.383
Dist. restrs. and SS energy: -34.200 (S_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: -279.893982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.893982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.693982 (E_RNA)
where:
Base-Base interactions energy: -159.910
where: short stacking energy: -64.424
Base-Backbone interact. energy: -0.409
local terms energy: -85.374854
where:
bonds (distance) C4'-P energy: -17.321
bonds (distance) P-C4' energy: -26.167
flat angles C4'-P-C4' energy: -19.921
flat angles P-C4'-P energy: -12.985
tors. eta vs tors. theta energy: -8.981
Dist. restrs. and SS energy: -34.200 (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: 2
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -288.395487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.395487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.395487 (E_RNA)
where:
Base-Base interactions energy: -158.144
where: short stacking energy: -70.157
Base-Backbone interact. energy: -1.292
local terms energy: -92.959626
where:
bonds (distance) C4'-P energy: -19.777
bonds (distance) P-C4' energy: -26.403
flat angles C4'-P-C4' energy: -20.457
flat angles P-C4'-P energy: -10.433
tors. eta vs tors. theta energy: -15.890
Dist. restrs. and SS energy: -36.000 (S_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: 204
Temperature: 1.300000
Total energy: -252.449068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.449068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.449068 (E_RNA)
where:
Base-Base interactions energy: -142.749
where: short stacking energy: -62.619
Base-Backbone interact. energy: -0.048
local terms energy: -73.651750
where:
bonds (distance) C4'-P energy: -20.903
bonds (distance) P-C4' energy: -17.029
flat angles C4'-P-C4' energy: -21.441
flat angles P-C4'-P energy: -2.337
tors. eta vs tors. theta energy: -11.943
Dist. restrs. and SS energy: -36.000 (S_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: 204
Temperature: 1.350000
Total energy: -264.460960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.460960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.460960 (E_RNA)
where:
Base-Base interactions energy: -148.083
where: short stacking energy: -58.677
Base-Backbone interact. energy: 1.095
local terms energy: -81.473282
where:
bonds (distance) C4'-P energy: -14.547
bonds (distance) P-C4' energy: -18.428
flat angles C4'-P-C4' energy: -15.162
flat angles P-C4'-P energy: -18.239
tors. eta vs tors. theta energy: -15.097
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -412.309036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.309036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.709036 (E_RNA)
where:
Base-Base interactions energy: -251.133
where: short stacking energy: -95.192
Base-Backbone interact. energy: -1.108
local terms energy: -111.467827
where:
bonds (distance) C4'-P energy: -17.805
bonds (distance) P-C4' energy: -24.463
flat angles C4'-P-C4' energy: -18.836
flat angles P-C4'-P energy: -20.889
tors. eta vs tors. theta energy: -29.475
Dist. restrs. and SS energy: -48.600 (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: 5
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -410.577876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.577876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.177876 (E_RNA)
where:
Base-Base interactions energy: -245.194
where: short stacking energy: -99.410
Base-Backbone interact. energy: -1.044
local terms energy: -113.939970
where:
bonds (distance) C4'-P energy: -19.080
bonds (distance) P-C4' energy: -25.924
flat angles C4'-P-C4' energy: -23.554
flat angles P-C4'-P energy: -17.136
tors. eta vs tors. theta energy: -28.247
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -408.377362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.377362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.977362 (E_RNA)
where:
Base-Base interactions energy: -249.912
where: short stacking energy: -103.263
Base-Backbone interact. energy: -0.084
local terms energy: -107.981757
where:
bonds (distance) C4'-P energy: -20.973
bonds (distance) P-C4' energy: -20.429
flat angles C4'-P-C4' energy: -27.893
flat angles P-C4'-P energy: -13.845
tors. eta vs tors. theta energy: -24.842
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -387.537220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.537220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.137220 (E_RNA)
where:
Base-Base interactions energy: -242.142
where: short stacking energy: -86.036
Base-Backbone interact. energy: -0.683
local terms energy: -94.312248
where:
bonds (distance) C4'-P energy: -19.476
bonds (distance) P-C4' energy: -23.625
flat angles C4'-P-C4' energy: -23.154
flat angles P-C4'-P energy: -9.724
tors. eta vs tors. theta energy: -18.333
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -383.870472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.870472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.470472 (E_RNA)
where:
Base-Base interactions energy: -234.862
where: short stacking energy: -89.345
Base-Backbone interact. energy: 1.143
local terms energy: -99.751600
where:
bonds (distance) C4'-P energy: -15.524
bonds (distance) P-C4' energy: -21.796
flat angles C4'-P-C4' energy: -19.906
flat angles P-C4'-P energy: -19.175
tors. eta vs tors. theta energy: -23.351
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -307.288007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.288007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.288007 (E_RNA)
where:
Base-Base interactions energy: -166.857
where: short stacking energy: -82.968
Base-Backbone interact. energy: -2.062
local terms energy: -102.368529
where:
bonds (distance) C4'-P energy: -17.250
bonds (distance) P-C4' energy: -20.303
flat angles C4'-P-C4' energy: -23.021
flat angles P-C4'-P energy: -17.455
tors. eta vs tors. theta energy: -24.339
Dist. restrs. and SS energy: -36.000 (S_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: 205
Temperature: 1.200000
Total energy: -295.035201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.035201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.035201 (E_RNA)
where:
Base-Base interactions energy: -164.789
where: short stacking energy: -81.210
Base-Backbone interact. energy: -0.464
local terms energy: -93.781959
where:
bonds (distance) C4'-P energy: -19.945
bonds (distance) P-C4' energy: -23.658
flat angles C4'-P-C4' energy: -19.558
flat angles P-C4'-P energy: -14.085
tors. eta vs tors. theta energy: -16.536
Dist. restrs. and SS energy: -36.000 (S_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: 205
Temperature: 1.250000
Total energy: -257.408431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.408431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.408431 (E_RNA)
where:
Base-Base interactions energy: -141.431
where: short stacking energy: -64.570
Base-Backbone interact. energy: -0.135
local terms energy: -79.842208
where:
bonds (distance) C4'-P energy: -24.483
bonds (distance) P-C4' energy: -23.989
flat angles C4'-P-C4' energy: -12.726
flat angles P-C4'-P energy: -12.299
tors. eta vs tors. theta energy: -6.345
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -255.323445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.323445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.123445 (E_RNA)
where:
Base-Base interactions energy: -138.841
where: short stacking energy: -63.265
Base-Backbone interact. energy: -1.033
local terms energy: -81.249847
where:
bonds (distance) C4'-P energy: -16.987
bonds (distance) P-C4' energy: -19.560
flat angles C4'-P-C4' energy: -19.220
flat angles P-C4'-P energy: -15.492
tors. eta vs tors. theta energy: -9.992
Dist. restrs. and SS energy: -34.200 (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: 6
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -213.479502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.479502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.679502 (E_RNA)
where:
Base-Base interactions energy: -100.894
where: short stacking energy: -36.369
Base-Backbone interact. energy: -0.685
local terms energy: -83.100228
where:
bonds (distance) C4'-P energy: -17.776
bonds (distance) P-C4' energy: -22.323
flat angles C4'-P-C4' energy: -19.534
flat angles P-C4'-P energy: -12.370
tors. eta vs tors. theta energy: -11.098
Dist. restrs. and SS energy: -28.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -415.358112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.358112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.758112 (E_RNA)
where:
Base-Base interactions energy: -248.657
where: short stacking energy: -102.831
Base-Backbone interact. energy: -0.860
local terms energy: -117.241029
where:
bonds (distance) C4'-P energy: -20.831
bonds (distance) P-C4' energy: -27.297
flat angles C4'-P-C4' energy: -20.829
flat angles P-C4'-P energy: -19.057
tors. eta vs tors. theta energy: -29.227
Dist. restrs. and SS energy: -48.600 (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: 10
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -409.387415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.387415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.987415 (E_RNA)
where:
Base-Base interactions energy: -247.867
where: short stacking energy: -95.263
Base-Backbone interact. energy: 1.309
local terms energy: -112.429379
where:
bonds (distance) C4'-P energy: -26.200
bonds (distance) P-C4' energy: -26.600
flat angles C4'-P-C4' energy: -22.040
flat angles P-C4'-P energy: -9.548
tors. eta vs tors. theta energy: -28.041
Dist. restrs. and SS energy: -50.400 (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: 206
Temperature: 1.000000
Total energy: -394.201427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.201427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.801427 (E_RNA)
where:
Base-Base interactions energy: -238.933
where: short stacking energy: -84.088
Base-Backbone interact. energy: -1.024
local terms energy: -103.844111
where:
bonds (distance) C4'-P energy: -22.276
bonds (distance) P-C4' energy: -22.589
flat angles C4'-P-C4' energy: -23.417
flat angles P-C4'-P energy: -13.102
tors. eta vs tors. theta energy: -22.460
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -396.734448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.734448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.134448 (E_RNA)
where:
Base-Base interactions energy: -248.390
where: short stacking energy: -101.292
Base-Backbone interact. energy: -0.528
local terms energy: -99.216622
where:
bonds (distance) C4'-P energy: -19.279
bonds (distance) P-C4' energy: -21.558
flat angles C4'-P-C4' energy: -23.989
flat angles P-C4'-P energy: -11.932
tors. eta vs tors. theta energy: -22.459
Dist. restrs. and SS energy: -48.600 (S_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: 206
Temperature: 1.100000
Total energy: -390.176886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.176886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.776886 (E_RNA)
where:
Base-Base interactions energy: -231.794
where: short stacking energy: -91.471
Base-Backbone interact. energy: -0.304
local terms energy: -107.678706
where:
bonds (distance) C4'-P energy: -21.842
bonds (distance) P-C4' energy: -24.204
flat angles C4'-P-C4' energy: -19.974
flat angles P-C4'-P energy: -15.283
tors. eta vs tors. theta energy: -26.376
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -307.114871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.114871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.114871 (E_RNA)
where:
Base-Base interactions energy: -173.201
where: short stacking energy: -86.235
Base-Backbone interact. energy: 3.100
local terms energy: -101.013555
where:
bonds (distance) C4'-P energy: -22.073
bonds (distance) P-C4' energy: -20.429
flat angles C4'-P-C4' energy: -19.176
flat angles P-C4'-P energy: -16.663
tors. eta vs tors. theta energy: -22.673
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -294.994374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.994374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.994374 (E_RNA)
where:
Base-Base interactions energy: -161.605
where: short stacking energy: -76.753
Base-Backbone interact. energy: -0.634
local terms energy: -96.756074
where:
bonds (distance) C4'-P energy: -22.792
bonds (distance) P-C4' energy: -22.244
flat angles C4'-P-C4' energy: -19.622
flat angles P-C4'-P energy: -11.979
tors. eta vs tors. theta energy: -20.118
Dist. restrs. and SS energy: -36.000 (S_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: 206
Temperature: 1.250000
Total energy: -264.117039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.117039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.117039 (E_RNA)
where:
Base-Base interactions energy: -135.545
where: short stacking energy: -65.909
Base-Backbone interact. energy: -0.162
local terms energy: -92.409249
where:
bonds (distance) C4'-P energy: -23.200
bonds (distance) P-C4' energy: -23.045
flat angles C4'-P-C4' energy: -16.338
flat angles P-C4'-P energy: -17.616
tors. eta vs tors. theta energy: -12.211
Dist. restrs. and SS energy: -36.000 (S_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: 206
Temperature: 1.300000
Total energy: -254.049665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.049665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.049665 (E_RNA)
where:
Base-Base interactions energy: -145.855
where: short stacking energy: -52.402
Base-Backbone interact. energy: -0.459
local terms energy: -71.736198
where:
bonds (distance) C4'-P energy: -18.034
bonds (distance) P-C4' energy: -21.018
flat angles C4'-P-C4' energy: -22.424
flat angles P-C4'-P energy: -7.383
tors. eta vs tors. theta energy: -2.877
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -254.976316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.976316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.976316 (E_RNA)
where:
Base-Base interactions energy: -137.307
where: short stacking energy: -63.988
Base-Backbone interact. energy: 0.610
local terms energy: -82.279898
where:
bonds (distance) C4'-P energy: -18.591
bonds (distance) P-C4' energy: -22.494
flat angles C4'-P-C4' energy: -18.264
flat angles P-C4'-P energy: -10.696
tors. eta vs tors. theta energy: -12.236
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -411.923699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.923699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.323699 (E_RNA)
where:
Base-Base interactions energy: -248.085
where: short stacking energy: -102.367
Base-Backbone interact. energy: -0.765
local terms energy: -114.472907
where:
bonds (distance) C4'-P energy: -18.477
bonds (distance) P-C4' energy: -23.948
flat angles C4'-P-C4' energy: -23.445
flat angles P-C4'-P energy: -19.782
tors. eta vs tors. theta energy: -28.820
Dist. restrs. and SS energy: -48.600 (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: 10
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -412.703343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.703343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.103343 (E_RNA)
where:
Base-Base interactions energy: -243.225
where: short stacking energy: -89.488
Base-Backbone interact. energy: -0.350
local terms energy: -120.527668
where:
bonds (distance) C4'-P energy: -22.033
bonds (distance) P-C4' energy: -26.336
flat angles C4'-P-C4' energy: -27.655
flat angles P-C4'-P energy: -17.153
tors. eta vs tors. theta energy: -27.351
Dist. restrs. and SS energy: -48.600 (S_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: 207
Temperature: 1.000000
Total energy: -404.513750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.513750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.113750 (E_RNA)
where:
Base-Base interactions energy: -241.624
where: short stacking energy: -93.785
Base-Backbone interact. energy: 0.138
local terms energy: -112.628089
where:
bonds (distance) C4'-P energy: -20.632
bonds (distance) P-C4' energy: -23.236
flat angles C4'-P-C4' energy: -23.345
flat angles P-C4'-P energy: -17.202
tors. eta vs tors. theta energy: -28.213
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -408.057142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.057142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.657142 (E_RNA)
where:
Base-Base interactions energy: -250.199
where: short stacking energy: -97.313
Base-Backbone interact. energy: -1.250
local terms energy: -106.208222
where:
bonds (distance) C4'-P energy: -16.743
bonds (distance) P-C4' energy: -22.115
flat angles C4'-P-C4' energy: -25.448
flat angles P-C4'-P energy: -16.639
tors. eta vs tors. theta energy: -25.262
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -379.909980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.909980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.509980 (E_RNA)
where:
Base-Base interactions energy: -226.496
where: short stacking energy: -88.759
Base-Backbone interact. energy: -1.631
local terms energy: -101.382212
where:
bonds (distance) C4'-P energy: -16.797
bonds (distance) P-C4' energy: -19.750
flat angles C4'-P-C4' energy: -24.072
flat angles P-C4'-P energy: -16.834
tors. eta vs tors. theta energy: -23.929
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -300.276270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.276270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.276270 (E_RNA)
where:
Base-Base interactions energy: -168.736
where: short stacking energy: -79.162
Base-Backbone interact. energy: -0.276
local terms energy: -95.264260
where:
bonds (distance) C4'-P energy: -20.515
bonds (distance) P-C4' energy: -25.519
flat angles C4'-P-C4' energy: -23.442
flat angles P-C4'-P energy: -14.230
tors. eta vs tors. theta energy: -11.558
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -284.355858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.355858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.155858 (E_RNA)
where:
Base-Base interactions energy: -159.941
where: short stacking energy: -76.178
Base-Backbone interact. energy: -0.390
local terms energy: -89.824979
where:
bonds (distance) C4'-P energy: -14.870
bonds (distance) P-C4' energy: -20.015
flat angles C4'-P-C4' energy: -22.907
flat angles P-C4'-P energy: -13.025
tors. eta vs tors. theta energy: -19.007
Dist. restrs. and SS energy: -34.200 (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: 9
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -258.537988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.537988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.537988 (E_RNA)
where:
Base-Base interactions energy: -148.238
where: short stacking energy: -65.323
Base-Backbone interact. energy: -0.335
local terms energy: -73.965461
where:
bonds (distance) C4'-P energy: -13.975
bonds (distance) P-C4' energy: -11.789
flat angles C4'-P-C4' energy: -20.223
flat angles P-C4'-P energy: -18.499
tors. eta vs tors. theta energy: -9.479
Dist. restrs. and SS energy: -36.000 (S_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: 207
Temperature: 1.300000
Total energy: -252.845701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.845701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.845701 (E_RNA)
where:
Base-Base interactions energy: -137.517
where: short stacking energy: -53.024
Base-Backbone interact. energy: 0.108
local terms energy: -79.436720
where:
bonds (distance) C4'-P energy: -20.145
bonds (distance) P-C4' energy: -23.879
flat angles C4'-P-C4' energy: -17.215
flat angles P-C4'-P energy: -8.207
tors. eta vs tors. theta energy: -9.991
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -254.857558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.857558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.857558 (E_RNA)
where:
Base-Base interactions energy: -139.584
where: short stacking energy: -67.616
Base-Backbone interact. energy: 1.337
local terms energy: -80.610730
where:
bonds (distance) C4'-P energy: -15.553
bonds (distance) P-C4' energy: -19.896
flat angles C4'-P-C4' energy: -21.089
flat angles P-C4'-P energy: -7.663
tors. eta vs tors. theta energy: -16.410
Dist. restrs. and SS energy: -36.000 (S_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: 208
Temperature: 0.900000
Total energy: -421.100100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.100100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.700100 (E_RNA)
where:
Base-Base interactions energy: -263.147
where: short stacking energy: -89.384
Base-Backbone interact. energy: -0.639
local terms energy: -106.914099
where:
bonds (distance) C4'-P energy: -17.880
bonds (distance) P-C4' energy: -25.428
flat angles C4'-P-C4' energy: -24.342
flat angles P-C4'-P energy: -16.433
tors. eta vs tors. theta energy: -22.831
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -403.165044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.165044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.765044 (E_RNA)
where:
Base-Base interactions energy: -248.989
where: short stacking energy: -92.735
Base-Backbone interact. energy: -0.279
local terms energy: -103.497402
where:
bonds (distance) C4'-P energy: -19.042
bonds (distance) P-C4' energy: -23.017
flat angles C4'-P-C4' energy: -22.035
flat angles P-C4'-P energy: -15.015
tors. eta vs tors. theta energy: -24.388
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -421.329091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.329091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.929091 (E_RNA)
where:
Base-Base interactions energy: -254.616
where: short stacking energy: -108.535
Base-Backbone interact. energy: 0.231
local terms energy: -116.544170
where:
bonds (distance) C4'-P energy: -22.881
bonds (distance) P-C4' energy: -22.201
flat angles C4'-P-C4' energy: -26.196
flat angles P-C4'-P energy: -17.347
tors. eta vs tors. theta energy: -27.920
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -375.305819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.305819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.705819 (E_RNA)
where:
Base-Base interactions energy: -226.534
where: short stacking energy: -87.331
Base-Backbone interact. energy: -1.081
local terms energy: -99.090787
where:
bonds (distance) C4'-P energy: -18.859
bonds (distance) P-C4' energy: -19.732
flat angles C4'-P-C4' energy: -20.297
flat angles P-C4'-P energy: -18.265
tors. eta vs tors. theta energy: -21.937
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -379.633232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.633232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.233232 (E_RNA)
where:
Base-Base interactions energy: -229.218
where: short stacking energy: -87.957
Base-Backbone interact. energy: -0.949
local terms energy: -99.066467
where:
bonds (distance) C4'-P energy: -17.717
bonds (distance) P-C4' energy: -14.524
flat angles C4'-P-C4' energy: -21.774
flat angles P-C4'-P energy: -19.183
tors. eta vs tors. theta energy: -25.869
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -314.461403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.461403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.261403 (E_RNA)
where:
Base-Base interactions energy: -183.312
where: short stacking energy: -92.512
Base-Backbone interact. energy: -0.310
local terms energy: -96.639773
where:
bonds (distance) C4'-P energy: -16.638
bonds (distance) P-C4' energy: -21.551
flat angles C4'-P-C4' energy: -22.686
flat angles P-C4'-P energy: -16.214
tors. eta vs tors. theta energy: -19.550
Dist. restrs. and SS energy: -34.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -291.900401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.900401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.900401 (E_RNA)
where:
Base-Base interactions energy: -157.846
where: short stacking energy: -66.555
Base-Backbone interact. energy: -0.365
local terms energy: -97.688860
where:
bonds (distance) C4'-P energy: -13.519
bonds (distance) P-C4' energy: -26.583
flat angles C4'-P-C4' energy: -20.792
flat angles P-C4'-P energy: -18.036
tors. eta vs tors. theta energy: -18.758
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -286.812460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.812460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.812460 (E_RNA)
where:
Base-Base interactions energy: -170.394
where: short stacking energy: -76.206
Base-Backbone interact. energy: 0.806
local terms energy: -81.224878
where:
bonds (distance) C4'-P energy: -22.935
bonds (distance) P-C4' energy: -16.011
flat angles C4'-P-C4' energy: -15.900
flat angles P-C4'-P energy: -9.699
tors. eta vs tors. theta energy: -16.680
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -249.151446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.151446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.151446 (E_RNA)
where:
Base-Base interactions energy: -135.226
where: short stacking energy: -64.554
Base-Backbone interact. energy: -0.292
local terms energy: -77.632993
where:
bonds (distance) C4'-P energy: -18.206
bonds (distance) P-C4' energy: -19.404
flat angles C4'-P-C4' energy: -16.071
flat angles P-C4'-P energy: -10.009
tors. eta vs tors. theta energy: -13.943
Dist. restrs. and SS energy: -36.000 (S_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: 208
Temperature: 1.350000
Total energy: -242.039470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.039470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.039470 (E_RNA)
where:
Base-Base interactions energy: -143.016
where: short stacking energy: -54.848
Base-Backbone interact. energy: -0.274
local terms energy: -62.749529
where:
bonds (distance) C4'-P energy: -7.240
bonds (distance) P-C4' energy: -22.814
flat angles C4'-P-C4' energy: -17.474
flat angles P-C4'-P energy: -12.861
tors. eta vs tors. theta energy: -2.362
Dist. restrs. and SS energy: -36.000 (S_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: 209
Temperature: 0.900000
Total energy: -418.880154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.880154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.480154 (E_RNA)
where:
Base-Base interactions energy: -252.648
where: short stacking energy: -102.742
Base-Backbone interact. energy: -0.515
local terms energy: -115.317574
where:
bonds (distance) C4'-P energy: -26.026
bonds (distance) P-C4' energy: -21.375
flat angles C4'-P-C4' energy: -24.963
flat angles P-C4'-P energy: -16.389
tors. eta vs tors. theta energy: -26.566
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -409.560615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.560615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.160615 (E_RNA)
where:
Base-Base interactions energy: -250.849
where: short stacking energy: -102.664
Base-Backbone interact. energy: 0.208
local terms energy: -108.518988
where:
bonds (distance) C4'-P energy: -11.311
bonds (distance) P-C4' energy: -23.260
flat angles C4'-P-C4' energy: -23.325
flat angles P-C4'-P energy: -22.125
tors. eta vs tors. theta energy: -28.499
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -394.800393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.800393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.200393 (E_RNA)
where:
Base-Base interactions energy: -236.205
where: short stacking energy: -89.756
Base-Backbone interact. energy: -0.418
local terms energy: -109.577776
where:
bonds (distance) C4'-P energy: -18.877
bonds (distance) P-C4' energy: -23.205
flat angles C4'-P-C4' energy: -20.439
flat angles P-C4'-P energy: -19.122
tors. eta vs tors. theta energy: -27.934
Dist. restrs. and SS energy: -48.600 (S_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: -403.033866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.033866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.633866 (E_RNA)
where:
Base-Base interactions energy: -244.467
where: short stacking energy: -98.216
Base-Backbone interact. energy: -1.532
local terms energy: -106.635012
where:
bonds (distance) C4'-P energy: -25.232
bonds (distance) P-C4' energy: -23.198
flat angles C4'-P-C4' energy: -17.590
flat angles P-C4'-P energy: -15.139
tors. eta vs tors. theta energy: -25.477
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -366.206995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.206995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.806995 (E_RNA)
where:
Base-Base interactions energy: -217.990
where: short stacking energy: -85.212
Base-Backbone interact. energy: 0.576
local terms energy: -98.392423
where:
bonds (distance) C4'-P energy: -20.885
bonds (distance) P-C4' energy: -24.773
flat angles C4'-P-C4' energy: -20.347
flat angles P-C4'-P energy: -11.526
tors. eta vs tors. theta energy: -20.861
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -299.026387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.026387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.026387 (E_RNA)
where:
Base-Base interactions energy: -166.952
where: short stacking energy: -78.225
Base-Backbone interact. energy: -0.544
local terms energy: -95.530670
where:
bonds (distance) C4'-P energy: -14.854
bonds (distance) P-C4' energy: -22.195
flat angles C4'-P-C4' energy: -22.128
flat angles P-C4'-P energy: -17.340
tors. eta vs tors. theta energy: -19.014
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -304.399406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.399406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.199406 (E_RNA)
where:
Base-Base interactions energy: -176.183
where: short stacking energy: -83.814
Base-Backbone interact. energy: -0.765
local terms energy: -93.251462
where:
bonds (distance) C4'-P energy: -21.866
bonds (distance) P-C4' energy: -14.446
flat angles C4'-P-C4' energy: -16.397
flat angles P-C4'-P energy: -16.018
tors. eta vs tors. theta energy: -24.524
Dist. restrs. and SS energy: -34.200 (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: 2
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -271.792160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.792160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.792160 (E_RNA)
where:
Base-Base interactions energy: -155.220
where: short stacking energy: -68.214
Base-Backbone interact. energy: 1.024
local terms energy: -81.596395
where:
bonds (distance) C4'-P energy: -17.338
bonds (distance) P-C4' energy: -16.368
flat angles C4'-P-C4' energy: -20.710
flat angles P-C4'-P energy: -7.230
tors. eta vs tors. theta energy: -19.952
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -285.931044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.931044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.931044 (E_RNA)
where:
Base-Base interactions energy: -148.270
where: short stacking energy: -63.439
Base-Backbone interact. energy: -0.187
local terms energy: -101.473795
where:
bonds (distance) C4'-P energy: -22.289
bonds (distance) P-C4' energy: -23.215
flat angles C4'-P-C4' energy: -23.552
flat angles P-C4'-P energy: -19.560
tors. eta vs tors. theta energy: -12.858
Dist. restrs. and SS energy: -36.000 (S_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: 209
Temperature: 1.350000
Total energy: -240.142141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.142141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.942141 (E_RNA)
where:
Base-Base interactions energy: -131.275
where: short stacking energy: -53.978
Base-Backbone interact. energy: -0.059
local terms energy: -74.608149
where:
bonds (distance) C4'-P energy: -17.084
bonds (distance) P-C4' energy: -14.906
flat angles C4'-P-C4' energy: -16.584
flat angles P-C4'-P energy: -16.847
tors. eta vs tors. theta energy: -9.187
Dist. restrs. and SS energy: -34.200 (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: 210
Temperature: 0.900000
Total energy: -418.895085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.895085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.495085 (E_RNA)
where:
Base-Base interactions energy: -251.916
where: short stacking energy: -91.795
Base-Backbone interact. energy: -0.771
local terms energy: -115.808182
where:
bonds (distance) C4'-P energy: -24.349
bonds (distance) P-C4' energy: -23.333
flat angles C4'-P-C4' energy: -23.341
flat angles P-C4'-P energy: -16.740
tors. eta vs tors. theta energy: -28.046
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -395.163038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.163038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.763038 (E_RNA)
where:
Base-Base interactions energy: -240.234
where: short stacking energy: -93.658
Base-Backbone interact. energy: -0.366
local terms energy: -104.162942
where:
bonds (distance) C4'-P energy: -20.794
bonds (distance) P-C4' energy: -17.686
flat angles C4'-P-C4' energy: -20.610
flat angles P-C4'-P energy: -19.260
tors. eta vs tors. theta energy: -25.812
Dist. restrs. and SS energy: -50.400 (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: 210
Temperature: 1.000000
Total energy: -401.228010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.228010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.228010 (E_RNA)
where:
Base-Base interactions energy: -245.598
where: short stacking energy: -94.573
Base-Backbone interact. energy: -0.149
local terms energy: -110.480788
where:
bonds (distance) C4'-P energy: -21.441
bonds (distance) P-C4' energy: -22.502
flat angles C4'-P-C4' energy: -22.127
flat angles P-C4'-P energy: -19.933
tors. eta vs tors. theta energy: -24.477
Dist. restrs. and SS energy: -45.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -393.097356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.097356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.697356 (E_RNA)
where:
Base-Base interactions energy: -240.374
where: short stacking energy: -99.275
Base-Backbone interact. energy: -0.343
local terms energy: -101.980003
where:
bonds (distance) C4'-P energy: -20.659
bonds (distance) P-C4' energy: -17.866
flat angles C4'-P-C4' energy: -22.979
flat angles P-C4'-P energy: -12.151
tors. eta vs tors. theta energy: -28.325
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -367.545024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.545024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.145024 (E_RNA)
where:
Base-Base interactions energy: -220.514
where: short stacking energy: -89.199
Base-Backbone interact. energy: -0.569
local terms energy: -96.061684
where:
bonds (distance) C4'-P energy: -15.903
bonds (distance) P-C4' energy: -19.551
flat angles C4'-P-C4' energy: -20.784
flat angles P-C4'-P energy: -16.995
tors. eta vs tors. theta energy: -22.828
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -303.945423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.945423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.945423 (E_RNA)
where:
Base-Base interactions energy: -169.942
where: short stacking energy: -90.450
Base-Backbone interact. energy: -0.094
local terms energy: -97.909333
where:
bonds (distance) C4'-P energy: -20.672
bonds (distance) P-C4' energy: -19.599
flat angles C4'-P-C4' energy: -21.039
flat angles P-C4'-P energy: -14.811
tors. eta vs tors. theta energy: -21.788
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -296.505008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.505008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.505008 (E_RNA)
where:
Base-Base interactions energy: -169.800
where: short stacking energy: -75.761
Base-Backbone interact. energy: -0.093
local terms energy: -90.612519
where:
bonds (distance) C4'-P energy: -18.336
bonds (distance) P-C4' energy: -19.381
flat angles C4'-P-C4' energy: -20.195
flat angles P-C4'-P energy: -10.324
tors. eta vs tors. theta energy: -22.377
Dist. restrs. and SS energy: -36.000 (S_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: 210
Temperature: 1.250000
Total energy: -266.135073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.135073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.935073 (E_RNA)
where:
Base-Base interactions energy: -157.931
where: short stacking energy: -68.366
Base-Backbone interact. energy: -0.339
local terms energy: -73.665597
where:
bonds (distance) C4'-P energy: -14.156
bonds (distance) P-C4' energy: -19.577
flat angles C4'-P-C4' energy: -19.371
flat angles P-C4'-P energy: -12.756
tors. eta vs tors. theta energy: -7.806
Dist. restrs. and SS energy: -34.200 (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: 6
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -271.482491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.482491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.282491 (E_RNA)
where:
Base-Base interactions energy: -142.560
where: short stacking energy: -72.187
Base-Backbone interact. energy: -0.262
local terms energy: -94.460468
where:
bonds (distance) C4'-P energy: -23.866
bonds (distance) P-C4' energy: -19.346
flat angles C4'-P-C4' energy: -15.652
flat angles P-C4'-P energy: -12.376
tors. eta vs tors. theta energy: -23.221
Dist. restrs. and SS energy: -34.200 (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: 4
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -254.178687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.178687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.178687 (E_RNA)
where:
Base-Base interactions energy: -140.741
where: short stacking energy: -62.568
Base-Backbone interact. energy: 2.528
local terms energy: -79.965540
where:
bonds (distance) C4'-P energy: -11.288
bonds (distance) P-C4' energy: -22.004
flat angles C4'-P-C4' energy: -19.563
flat angles P-C4'-P energy: -14.023
tors. eta vs tors. theta energy: -13.088
Dist. restrs. and SS energy: -36.000 (S_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: 211
Temperature: 0.900000
Total energy: -414.249914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.249914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.849914 (E_RNA)
where:
Base-Base interactions energy: -246.540
where: short stacking energy: -105.954
Base-Backbone interact. energy: -1.442
local terms energy: -115.867392
where:
bonds (distance) C4'-P energy: -25.996
bonds (distance) P-C4' energy: -26.447
flat angles C4'-P-C4' energy: -23.729
flat angles P-C4'-P energy: -14.478
tors. eta vs tors. theta energy: -25.218
Dist. restrs. and SS energy: -50.400 (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: 8
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -418.327539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.327539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.927539 (E_RNA)
where:
Base-Base interactions energy: -258.232
where: short stacking energy: -101.695
Base-Backbone interact. energy: -0.168
local terms energy: -109.527088
where:
bonds (distance) C4'-P energy: -20.216
bonds (distance) P-C4' energy: -22.388
flat angles C4'-P-C4' energy: -23.212
flat angles P-C4'-P energy: -17.634
tors. eta vs tors. theta energy: -26.077
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -397.065651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.065651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.665651 (E_RNA)
where:
Base-Base interactions energy: -240.008
where: short stacking energy: -92.453
Base-Backbone interact. energy: -0.885
local terms energy: -105.772596
where:
bonds (distance) C4'-P energy: -19.756
bonds (distance) P-C4' energy: -20.461
flat angles C4'-P-C4' energy: -22.237
flat angles P-C4'-P energy: -15.203
tors. eta vs tors. theta energy: -28.116
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -389.349686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.349686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.949686 (E_RNA)
where:
Base-Base interactions energy: -244.978
where: short stacking energy: -96.907
Base-Backbone interact. energy: -0.422
local terms energy: -93.549889
where:
bonds (distance) C4'-P energy: -10.395
bonds (distance) P-C4' energy: -23.975
flat angles C4'-P-C4' energy: -20.404
flat angles P-C4'-P energy: -17.187
tors. eta vs tors. theta energy: -21.589
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -372.456614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.456614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.856614 (E_RNA)
where:
Base-Base interactions energy: -226.985
where: short stacking energy: -84.502
Base-Backbone interact. energy: 0.181
local terms energy: -97.052203
where:
bonds (distance) C4'-P energy: -22.143
bonds (distance) P-C4' energy: -21.183
flat angles C4'-P-C4' energy: -20.483
flat angles P-C4'-P energy: -12.354
tors. eta vs tors. theta energy: -20.891
Dist. restrs. and SS energy: -48.600 (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: 7
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -286.322556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.322556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.322556 (E_RNA)
where:
Base-Base interactions energy: -163.049
where: short stacking energy: -79.517
Base-Backbone interact. energy: -0.205
local terms energy: -87.068028
where:
bonds (distance) C4'-P energy: -17.060
bonds (distance) P-C4' energy: -21.161
flat angles C4'-P-C4' energy: -17.108
flat angles P-C4'-P energy: -10.697
tors. eta vs tors. theta energy: -21.042
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -280.236890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.236890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.236890 (E_RNA)
where:
Base-Base interactions energy: -153.338
where: short stacking energy: -73.661
Base-Backbone interact. energy: -0.279
local terms energy: -90.619742
where:
bonds (distance) C4'-P energy: -21.858
bonds (distance) P-C4' energy: -20.923
flat angles C4'-P-C4' energy: -17.500
flat angles P-C4'-P energy: -13.116
tors. eta vs tors. theta energy: -17.223
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -274.393381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.393381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.393381 (E_RNA)
where:
Base-Base interactions energy: -150.226
where: short stacking energy: -78.691
Base-Backbone interact. energy: -0.014
local terms energy: -88.153873
where:
bonds (distance) C4'-P energy: -18.882
bonds (distance) P-C4' energy: -16.478
flat angles C4'-P-C4' energy: -18.907
flat angles P-C4'-P energy: -12.604
tors. eta vs tors. theta energy: -21.283
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -242.450493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.450493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.450493 (E_RNA)
where:
Base-Base interactions energy: -114.104
where: short stacking energy: -52.633
Base-Backbone interact. energy: -1.011
local terms energy: -91.335930
where:
bonds (distance) C4'-P energy: -22.211
bonds (distance) P-C4' energy: -19.540
flat angles C4'-P-C4' energy: -21.598
flat angles P-C4'-P energy: -13.009
tors. eta vs tors. theta energy: -14.979
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -276.815168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.815168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.815168 (E_RNA)
where:
Base-Base interactions energy: -154.341
where: short stacking energy: -73.423
Base-Backbone interact. energy: -0.712
local terms energy: -85.761348
where:
bonds (distance) C4'-P energy: -16.740
bonds (distance) P-C4' energy: -23.982
flat angles C4'-P-C4' energy: -19.302
flat angles P-C4'-P energy: -7.694
tors. eta vs tors. theta energy: -18.043
Dist. restrs. and SS energy: -36.000 (S_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: -409.612261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.612261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.212261 (E_RNA)
where:
Base-Base interactions energy: -253.640
where: short stacking energy: -95.706
Base-Backbone interact. energy: -0.334
local terms energy: -105.237951
where:
bonds (distance) C4'-P energy: -23.311
bonds (distance) P-C4' energy: -16.564
flat angles C4'-P-C4' energy: -21.882
flat angles P-C4'-P energy: -16.517
tors. eta vs tors. theta energy: -26.965
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -410.563092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.563092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.163092 (E_RNA)
where:
Base-Base interactions energy: -240.710
where: short stacking energy: -104.665
Base-Backbone interact. energy: -1.047
local terms energy: -118.406725
where:
bonds (distance) C4'-P energy: -20.739
bonds (distance) P-C4' energy: -23.564
flat angles C4'-P-C4' energy: -24.299
flat angles P-C4'-P energy: -19.310
tors. eta vs tors. theta energy: -30.495
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -392.230339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.230339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.630339 (E_RNA)
where:
Base-Base interactions energy: -247.882
where: short stacking energy: -95.962
Base-Backbone interact. energy: -1.210
local terms energy: -94.537912
where:
bonds (distance) C4'-P energy: -17.230
bonds (distance) P-C4' energy: -14.218
flat angles C4'-P-C4' energy: -21.932
flat angles P-C4'-P energy: -14.761
tors. eta vs tors. theta energy: -26.397
Dist. restrs. and SS energy: -48.600 (S_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: 212
Temperature: 1.050000
Total energy: -383.767238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.767238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.367238 (E_RNA)
where:
Base-Base interactions energy: -221.754
where: short stacking energy: -86.896
Base-Backbone interact. energy: 0.513
local terms energy: -112.126692
where:
bonds (distance) C4'-P energy: -22.052
bonds (distance) P-C4' energy: -26.247
flat angles C4'-P-C4' energy: -23.415
flat angles P-C4'-P energy: -13.079
tors. eta vs tors. theta energy: -27.333
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -356.371089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.371089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.971089 (E_RNA)
where:
Base-Base interactions energy: -218.654
where: short stacking energy: -71.785
Base-Backbone interact. energy: -1.175
local terms energy: -86.141821
where:
bonds (distance) C4'-P energy: -16.267
bonds (distance) P-C4' energy: -17.477
flat angles C4'-P-C4' energy: -19.661
flat angles P-C4'-P energy: -11.110
tors. eta vs tors. theta energy: -21.625
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -298.768847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.768847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.768847 (E_RNA)
where:
Base-Base interactions energy: -170.561
where: short stacking energy: -74.338
Base-Backbone interact. energy: -0.106
local terms energy: -92.102528
where:
bonds (distance) C4'-P energy: -21.831
bonds (distance) P-C4' energy: -18.572
flat angles C4'-P-C4' energy: -16.632
flat angles P-C4'-P energy: -13.238
tors. eta vs tors. theta energy: -21.829
Dist. restrs. and SS energy: -36.000 (S_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: 212
Temperature: 1.200000
Total energy: -276.298608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.298608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.098608 (E_RNA)
where:
Base-Base interactions energy: -145.127
where: short stacking energy: -70.738
Base-Backbone interact. energy: -0.215
local terms energy: -96.755949
where:
bonds (distance) C4'-P energy: -18.563
bonds (distance) P-C4' energy: -21.605
flat angles C4'-P-C4' energy: -20.958
flat angles P-C4'-P energy: -17.660
tors. eta vs tors. theta energy: -17.971
Dist. restrs. and SS energy: -34.200 (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: 9
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -280.693319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.693319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.493319 (E_RNA)
where:
Base-Base interactions energy: -144.781
where: short stacking energy: -76.596
Base-Backbone interact. energy: -0.150
local terms energy: -101.562418
where:
bonds (distance) C4'-P energy: -18.675
bonds (distance) P-C4' energy: -24.638
flat angles C4'-P-C4' energy: -21.516
flat angles P-C4'-P energy: -15.500
tors. eta vs tors. theta energy: -21.235
Dist. restrs. and SS energy: -34.200 (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: 4
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -265.168478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.168478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.168478 (E_RNA)
where:
Base-Base interactions energy: -149.732
where: short stacking energy: -68.945
Base-Backbone interact. energy: -0.560
local terms energy: -78.876391
where:
bonds (distance) C4'-P energy: -17.604
bonds (distance) P-C4' energy: -23.807
flat angles C4'-P-C4' energy: -12.556
flat angles P-C4'-P energy: -15.071
tors. eta vs tors. theta energy: -9.839
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -257.896349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.896349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.696349 (E_RNA)
where:
Base-Base interactions energy: -140.740
where: short stacking energy: -60.845
Base-Backbone interact. energy: -0.811
local terms energy: -82.144768
where:
bonds (distance) C4'-P energy: -20.864
bonds (distance) P-C4' energy: -18.121
flat angles C4'-P-C4' energy: -22.847
flat angles P-C4'-P energy: -15.123
tors. eta vs tors. theta energy: -5.189
Dist. restrs. and SS energy: -34.200 (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: 8
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -417.427046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.427046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.027046 (E_RNA)
where:
Base-Base interactions energy: -256.674
where: short stacking energy: -101.348
Base-Backbone interact. energy: -0.432
local terms energy: -109.921333
where:
bonds (distance) C4'-P energy: -12.325
bonds (distance) P-C4' energy: -26.361
flat angles C4'-P-C4' energy: -23.936
flat angles P-C4'-P energy: -17.968
tors. eta vs tors. theta energy: -29.332
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -396.660243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.660243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.260243 (E_RNA)
where:
Base-Base interactions energy: -240.087
where: short stacking energy: -91.111
Base-Backbone interact. energy: -1.971
local terms energy: -104.202647
where:
bonds (distance) C4'-P energy: -15.022
bonds (distance) P-C4' energy: -26.407
flat angles C4'-P-C4' energy: -26.469
flat angles P-C4'-P energy: -12.968
tors. eta vs tors. theta energy: -23.336
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -405.943035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.943035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.543035 (E_RNA)
where:
Base-Base interactions energy: -245.807
where: short stacking energy: -100.173
Base-Backbone interact. energy: -1.077
local terms energy: -108.659058
where:
bonds (distance) C4'-P energy: -18.126
bonds (distance) P-C4' energy: -20.605
flat angles C4'-P-C4' energy: -23.349
flat angles P-C4'-P energy: -18.163
tors. eta vs tors. theta energy: -28.416
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -371.314617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.314617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.914617 (E_RNA)
where:
Base-Base interactions energy: -221.918
where: short stacking energy: -86.029
Base-Backbone interact. energy: 1.747
local terms energy: -100.743787
where:
bonds (distance) C4'-P energy: -19.709
bonds (distance) P-C4' energy: -23.524
flat angles C4'-P-C4' energy: -23.032
flat angles P-C4'-P energy: -14.493
tors. eta vs tors. theta energy: -19.987
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -366.994575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.994575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.594575 (E_RNA)
where:
Base-Base interactions energy: -224.197
where: short stacking energy: -95.808
Base-Backbone interact. energy: -0.832
local terms energy: -91.565436
where:
bonds (distance) C4'-P energy: -19.308
bonds (distance) P-C4' energy: -24.595
flat angles C4'-P-C4' energy: -11.462
flat angles P-C4'-P energy: -11.708
tors. eta vs tors. theta energy: -24.493
Dist. restrs. and SS energy: -50.400 (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: 6
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -290.320454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.320454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.320454 (E_RNA)
where:
Base-Base interactions energy: -171.021
where: short stacking energy: -62.419
Base-Backbone interact. energy: -0.695
local terms energy: -82.604353
where:
bonds (distance) C4'-P energy: -19.450
bonds (distance) P-C4' energy: -25.746
flat angles C4'-P-C4' energy: -16.027
flat angles P-C4'-P energy: -10.806
tors. eta vs tors. theta energy: -10.576
Dist. restrs. and SS energy: -36.000 (S_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: 213
Temperature: 1.200000
Total energy: -286.480620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.480620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.480620 (E_RNA)
where:
Base-Base interactions energy: -168.562
where: short stacking energy: -72.514
Base-Backbone interact. energy: -0.382
local terms energy: -81.537210
where:
bonds (distance) C4'-P energy: -13.959
bonds (distance) P-C4' energy: -18.016
flat angles C4'-P-C4' energy: -22.044
flat angles P-C4'-P energy: -11.782
tors. eta vs tors. theta energy: -15.737
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -274.473792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.473792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.473792 (E_RNA)
where:
Base-Base interactions energy: -144.580
where: short stacking energy: -68.316
Base-Backbone interact. energy: -0.995
local terms energy: -92.898723
where:
bonds (distance) C4'-P energy: -20.710
bonds (distance) P-C4' energy: -22.306
flat angles C4'-P-C4' energy: -18.516
flat angles P-C4'-P energy: -13.824
tors. eta vs tors. theta energy: -17.543
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -250.190060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.190060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.190060 (E_RNA)
where:
Base-Base interactions energy: -140.663
where: short stacking energy: -60.908
Base-Backbone interact. energy: -0.356
local terms energy: -73.171338
where:
bonds (distance) C4'-P energy: -14.184
bonds (distance) P-C4' energy: -19.676
flat angles C4'-P-C4' energy: -16.235
flat angles P-C4'-P energy: -15.182
tors. eta vs tors. theta energy: -7.895
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -253.516255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.516255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.516255 (E_RNA)
where:
Base-Base interactions energy: -137.673
where: short stacking energy: -63.289
Base-Backbone interact. energy: -0.393
local terms energy: -79.449870
where:
bonds (distance) C4'-P energy: -16.042
bonds (distance) P-C4' energy: -14.352
flat angles C4'-P-C4' energy: -20.526
flat angles P-C4'-P energy: -15.627
tors. eta vs tors. theta energy: -12.902
Dist. restrs. and SS energy: -36.000 (S_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: -400.933623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.933623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.533623 (E_RNA)
where:
Base-Base interactions energy: -252.510
where: short stacking energy: -92.747
Base-Backbone interact. energy: -0.316
local terms energy: -97.707147
where:
bonds (distance) C4'-P energy: -20.466
bonds (distance) P-C4' energy: -19.043
flat angles C4'-P-C4' energy: -22.973
flat angles P-C4'-P energy: -12.680
tors. eta vs tors. theta energy: -22.546
Dist. restrs. and SS energy: -50.400 (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: 8
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -408.815471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.815471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.415471 (E_RNA)
where:
Base-Base interactions energy: -248.629
where: short stacking energy: -94.868
Base-Backbone interact. energy: -1.602
local terms energy: -108.183894
where:
bonds (distance) C4'-P energy: -21.103
bonds (distance) P-C4' energy: -18.888
flat angles C4'-P-C4' energy: -25.334
flat angles P-C4'-P energy: -18.307
tors. eta vs tors. theta energy: -24.551
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -407.881496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.881496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.281496 (E_RNA)
where:
Base-Base interactions energy: -242.244
where: short stacking energy: -106.649
Base-Backbone interact. energy: -0.797
local terms energy: -116.240436
where:
bonds (distance) C4'-P energy: -22.432
bonds (distance) P-C4' energy: -25.290
flat angles C4'-P-C4' energy: -23.627
flat angles P-C4'-P energy: -14.975
tors. eta vs tors. theta energy: -29.916
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -374.913572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.913572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.313572 (E_RNA)
where:
Base-Base interactions energy: -234.463
where: short stacking energy: -89.243
Base-Backbone interact. energy: 2.296
local terms energy: -94.146414
where:
bonds (distance) C4'-P energy: -17.417
bonds (distance) P-C4' energy: -19.791
flat angles C4'-P-C4' energy: -21.516
flat angles P-C4'-P energy: -12.309
tors. eta vs tors. theta energy: -23.112
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. 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: -305.617094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.617094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.617094 (E_RNA)
where:
Base-Base interactions energy: -176.950
where: short stacking energy: -74.824
Base-Backbone interact. energy: -0.288
local terms energy: -92.378895
where:
bonds (distance) C4'-P energy: -22.413
bonds (distance) P-C4' energy: -21.950
flat angles C4'-P-C4' energy: -19.632
flat angles P-C4'-P energy: -13.755
tors. eta vs tors. theta energy: -14.629
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -321.625520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.625520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.025520 (E_RNA)
where:
Base-Base interactions energy: -188.259
where: short stacking energy: -73.627
Base-Backbone interact. energy: 1.469
local terms energy: -86.235478
where:
bonds (distance) C4'-P energy: -21.048
bonds (distance) P-C4' energy: -16.158
flat angles C4'-P-C4' energy: -21.392
flat angles P-C4'-P energy: -11.106
tors. eta vs tors. theta energy: -16.531
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -284.433575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.433575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.433575 (E_RNA)
where:
Base-Base interactions energy: -158.867
where: short stacking energy: -74.557
Base-Backbone interact. energy: -0.100
local terms energy: -89.466792
where:
bonds (distance) C4'-P energy: -22.335
bonds (distance) P-C4' energy: -15.806
flat angles C4'-P-C4' energy: -24.314
flat angles P-C4'-P energy: -12.414
tors. eta vs tors. theta energy: -14.598
Dist. restrs. and SS energy: -36.000 (S_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: 214
Temperature: 1.250000
Total energy: -281.816708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.816708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.816708 (E_RNA)
where:
Base-Base interactions energy: -154.197
where: short stacking energy: -69.006
Base-Backbone interact. energy: -0.509
local terms energy: -91.110635
where:
bonds (distance) C4'-P energy: -18.748
bonds (distance) P-C4' energy: -23.611
flat angles C4'-P-C4' energy: -15.582
flat angles P-C4'-P energy: -14.854
tors. eta vs tors. theta energy: -18.316
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -259.855682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.855682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.855682 (E_RNA)
where:
Base-Base interactions energy: -146.705
where: short stacking energy: -61.635
Base-Backbone interact. energy: -0.770
local terms energy: -76.380932
where:
bonds (distance) C4'-P energy: -16.418
bonds (distance) P-C4' energy: -22.408
flat angles C4'-P-C4' energy: -18.415
flat angles P-C4'-P energy: -11.664
tors. eta vs tors. theta energy: -7.476
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -247.977766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.977766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.977766 (E_RNA)
where:
Base-Base interactions energy: -134.802
where: short stacking energy: -61.528
Base-Backbone interact. energy: -0.060
local terms energy: -77.115442
where:
bonds (distance) C4'-P energy: -20.603
bonds (distance) P-C4' energy: -18.775
flat angles C4'-P-C4' energy: -12.796
flat angles P-C4'-P energy: -18.074
tors. eta vs tors. theta energy: -6.868
Dist. restrs. and SS energy: -36.000 (S_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: -411.206413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.206413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.806413 (E_RNA)
where:
Base-Base interactions energy: -255.191
where: short stacking energy: -95.797
Base-Backbone interact. energy: 1.595
local terms energy: -107.210064
where:
bonds (distance) C4'-P energy: -17.607
bonds (distance) P-C4' energy: -25.743
flat angles C4'-P-C4' energy: -20.257
flat angles P-C4'-P energy: -15.752
tors. eta vs tors. theta energy: -27.851
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -415.147551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.147551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.747551 (E_RNA)
where:
Base-Base interactions energy: -252.785
where: short stacking energy: -106.949
Base-Backbone interact. energy: -0.517
local terms energy: -111.445225
where:
bonds (distance) C4'-P energy: -25.924
bonds (distance) P-C4' energy: -24.757
flat angles C4'-P-C4' energy: -22.375
flat angles P-C4'-P energy: -11.100
tors. eta vs tors. theta energy: -27.289
Dist. restrs. and SS energy: -50.400 (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: 215
Temperature: 1.000000
Total energy: -403.053314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.053314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.653314 (E_RNA)
where:
Base-Base interactions energy: -237.903
where: short stacking energy: -96.064
Base-Backbone interact. energy: -1.811
local terms energy: -112.938989
where:
bonds (distance) C4'-P energy: -24.495
bonds (distance) P-C4' energy: -21.686
flat angles C4'-P-C4' energy: -21.160
flat angles P-C4'-P energy: -15.772
tors. eta vs tors. theta energy: -29.825
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -388.467869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.467869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.067869 (E_RNA)
where:
Base-Base interactions energy: -244.307
where: short stacking energy: -93.908
Base-Backbone interact. energy: 1.413
local terms energy: -95.173525
where:
bonds (distance) C4'-P energy: -13.282
bonds (distance) P-C4' energy: -20.190
flat angles C4'-P-C4' energy: -19.961
flat angles P-C4'-P energy: -15.599
tors. eta vs tors. theta energy: -26.141
Dist. restrs. and SS energy: -50.400 (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: 6
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -303.428771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.428771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.228771 (E_RNA)
where:
Base-Base interactions energy: -169.224
where: short stacking energy: -69.874
Base-Backbone interact. energy: -1.107
local terms energy: -98.897848
where:
bonds (distance) C4'-P energy: -22.785
bonds (distance) P-C4' energy: -19.052
flat angles C4'-P-C4' energy: -18.493
flat angles P-C4'-P energy: -18.610
tors. eta vs tors. theta energy: -19.958
Dist. restrs. and SS energy: -34.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -340.561117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.561117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.161117 (E_RNA)
where:
Base-Base interactions energy: -202.925
where: short stacking energy: -78.495
Base-Backbone interact. energy: 1.034
local terms energy: -88.269976
where:
bonds (distance) C4'-P energy: -18.491
bonds (distance) P-C4' energy: -21.975
flat angles C4'-P-C4' energy: -19.662
flat angles P-C4'-P energy: -12.104
tors. eta vs tors. theta energy: -16.039
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -284.684330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.684330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.684330 (E_RNA)
where:
Base-Base interactions energy: -155.595
where: short stacking energy: -66.133
Base-Backbone interact. energy: -0.901
local terms energy: -92.188115
where:
bonds (distance) C4'-P energy: -22.681
bonds (distance) P-C4' energy: -21.230
flat angles C4'-P-C4' energy: -20.751
flat angles P-C4'-P energy: -10.582
tors. eta vs tors. theta energy: -16.943
Dist. restrs. and SS energy: -36.000 (S_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: 215
Temperature: 1.250000
Total energy: -260.340802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.340802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.340802 (E_RNA)
where:
Base-Base interactions energy: -132.940
where: short stacking energy: -62.316
Base-Backbone interact. energy: -0.501
local terms energy: -90.899963
where:
bonds (distance) C4'-P energy: -22.308
bonds (distance) P-C4' energy: -18.335
flat angles C4'-P-C4' energy: -22.054
flat angles P-C4'-P energy: -14.792
tors. eta vs tors. theta energy: -13.411
Dist. restrs. and SS energy: -36.000 (S_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: 215
Temperature: 1.300000
Total energy: -274.601963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.601963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.401963 (E_RNA)
where:
Base-Base interactions energy: -158.016
where: short stacking energy: -68.238
Base-Backbone interact. energy: -0.117
local terms energy: -82.268741
where:
bonds (distance) C4'-P energy: -21.911
bonds (distance) P-C4' energy: -17.528
flat angles C4'-P-C4' energy: -20.182
flat angles P-C4'-P energy: -11.704
tors. eta vs tors. theta energy: -10.944
Dist. restrs. and SS energy: -34.200 (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: 9
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -234.266498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.266498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.266498 (E_RNA)
where:
Base-Base interactions energy: -119.597
where: short stacking energy: -51.869
Base-Backbone interact. energy: -0.243
local terms energy: -78.425684
where:
bonds (distance) C4'-P energy: -21.314
bonds (distance) P-C4' energy: -18.542
flat angles C4'-P-C4' energy: -20.675
flat angles P-C4'-P energy: -13.584
tors. eta vs tors. theta energy: -4.310
Dist. restrs. and SS energy: -36.000 (S_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: 216
Temperature: 0.900000
Total energy: -416.683114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.683114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.283114 (E_RNA)
where:
Base-Base interactions energy: -257.291
where: short stacking energy: -103.222
Base-Backbone interact. energy: -0.644
local terms energy: -108.348060
where:
bonds (distance) C4'-P energy: -16.946
bonds (distance) P-C4' energy: -26.797
flat angles C4'-P-C4' energy: -21.655
flat angles P-C4'-P energy: -11.497
tors. eta vs tors. theta energy: -31.453
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -403.540697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.540697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.140697 (E_RNA)
where:
Base-Base interactions energy: -246.199
where: short stacking energy: -96.742
Base-Backbone interact. energy: -0.422
local terms energy: -106.520202
where:
bonds (distance) C4'-P energy: -22.215
bonds (distance) P-C4' energy: -24.285
flat angles C4'-P-C4' energy: -22.022
flat angles P-C4'-P energy: -12.073
tors. eta vs tors. theta energy: -25.926
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -393.497407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.497407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.097407 (E_RNA)
where:
Base-Base interactions energy: -233.324
where: short stacking energy: -89.954
Base-Backbone interact. energy: -0.869
local terms energy: -108.904905
where:
bonds (distance) C4'-P energy: -23.213
bonds (distance) P-C4' energy: -19.738
flat angles C4'-P-C4' energy: -26.160
flat angles P-C4'-P energy: -18.089
tors. eta vs tors. theta energy: -21.705
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -395.600070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.600070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.000070 (E_RNA)
where:
Base-Base interactions energy: -240.928
where: short stacking energy: -87.570
Base-Backbone interact. energy: -0.763
local terms energy: -105.308462
where:
bonds (distance) C4'-P energy: -23.353
bonds (distance) P-C4' energy: -25.592
flat angles C4'-P-C4' energy: -15.744
flat angles P-C4'-P energy: -14.051
tors. eta vs tors. theta energy: -26.568
Dist. restrs. and SS energy: -48.600 (S_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: 216
Temperature: 1.100000
Total energy: -339.876207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.876207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.476207 (E_RNA)
where:
Base-Base interactions energy: -191.165
where: short stacking energy: -80.061
Base-Backbone interact. energy: -1.261
local terms energy: -97.050083
where:
bonds (distance) C4'-P energy: -18.766
bonds (distance) P-C4' energy: -16.528
flat angles C4'-P-C4' energy: -23.468
flat angles P-C4'-P energy: -17.786
tors. eta vs tors. theta energy: -20.503
Dist. restrs. and SS energy: -50.400 (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: 6
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -289.010164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.010164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.010164 (E_RNA)
where:
Base-Base interactions energy: -155.395
where: short stacking energy: -71.185
Base-Backbone interact. energy: -1.236
local terms energy: -96.379263
where:
bonds (distance) C4'-P energy: -17.339
bonds (distance) P-C4' energy: -19.134
flat angles C4'-P-C4' energy: -25.410
flat angles P-C4'-P energy: -14.894
tors. eta vs tors. theta energy: -19.602
Dist. restrs. and SS energy: -36.000 (S_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: 216
Temperature: 1.200000
Total energy: -254.673119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.673119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.673119 (E_RNA)
where:
Base-Base interactions energy: -125.104
where: short stacking energy: -58.396
Base-Backbone interact. energy: -0.966
local terms energy: -92.603288
where:
bonds (distance) C4'-P energy: -22.703
bonds (distance) P-C4' energy: -18.865
flat angles C4'-P-C4' energy: -22.162
flat angles P-C4'-P energy: -16.657
tors. eta vs tors. theta energy: -12.217
Dist. restrs. and SS energy: -36.000 (S_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: 216
Temperature: 1.250000
Total energy: -269.212173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.212173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.212173 (E_RNA)
where:
Base-Base interactions energy: -150.662
where: short stacking energy: -67.831
Base-Backbone interact. energy: -0.300
local terms energy: -82.250321
where:
bonds (distance) C4'-P energy: -9.941
bonds (distance) P-C4' energy: -18.825
flat angles C4'-P-C4' energy: -20.933
flat angles P-C4'-P energy: -16.360
tors. eta vs tors. theta energy: -16.191
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -254.570173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.570173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.570173 (E_RNA)
where:
Base-Base interactions energy: -131.770
where: short stacking energy: -61.638
Base-Backbone interact. energy: -1.144
local terms energy: -85.656173
where:
bonds (distance) C4'-P energy: -19.772
bonds (distance) P-C4' energy: -20.543
flat angles C4'-P-C4' energy: -23.725
flat angles P-C4'-P energy: -15.125
tors. eta vs tors. theta energy: -6.491
Dist. restrs. and SS energy: -36.000 (S_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: 216
Temperature: 1.350000
Total energy: -293.153235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.153235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.953235 (E_RNA)
where:
Base-Base interactions energy: -165.621
where: short stacking energy: -63.607
Base-Backbone interact. energy: -1.315
local terms energy: -92.017919
where:
bonds (distance) C4'-P energy: -17.829
bonds (distance) P-C4' energy: -25.508
flat angles C4'-P-C4' energy: -20.232
flat angles P-C4'-P energy: -10.005
tors. eta vs tors. theta energy: -18.444
Dist. restrs. and SS energy: -34.200 (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: 217
Temperature: 0.900000
Total energy: -415.415620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.415620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.015620 (E_RNA)
where:
Base-Base interactions energy: -253.628
where: short stacking energy: -105.447
Base-Backbone interact. energy: -0.601
local terms energy: -110.786455
where:
bonds (distance) C4'-P energy: -23.411
bonds (distance) P-C4' energy: -20.120
flat angles C4'-P-C4' energy: -22.474
flat angles P-C4'-P energy: -16.171
tors. eta vs tors. theta energy: -28.610
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -395.689725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.689725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.289725 (E_RNA)
where:
Base-Base interactions energy: -230.658
where: short stacking energy: -89.310
Base-Backbone interact. energy: -1.616
local terms energy: -113.015948
where:
bonds (distance) C4'-P energy: -19.697
bonds (distance) P-C4' energy: -25.961
flat angles C4'-P-C4' energy: -25.156
flat angles P-C4'-P energy: -16.121
tors. eta vs tors. theta energy: -26.080
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -404.043397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.043397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.643397 (E_RNA)
where:
Base-Base interactions energy: -242.890
where: short stacking energy: -96.016
Base-Backbone interact. energy: -1.175
local terms energy: -109.578071
where:
bonds (distance) C4'-P energy: -18.799
bonds (distance) P-C4' energy: -23.191
flat angles C4'-P-C4' energy: -22.287
flat angles P-C4'-P energy: -15.986
tors. eta vs tors. theta energy: -29.315
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -371.447503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.447503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.047503 (E_RNA)
where:
Base-Base interactions energy: -221.535
where: short stacking energy: -74.244
Base-Backbone interact. energy: -0.390
local terms energy: -99.122957
where:
bonds (distance) C4'-P energy: -20.062
bonds (distance) P-C4' energy: -23.709
flat angles C4'-P-C4' energy: -23.097
flat angles P-C4'-P energy: -9.440
tors. eta vs tors. theta energy: -22.814
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -362.542914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.542914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.142914 (E_RNA)
where:
Base-Base interactions energy: -216.031
where: short stacking energy: -78.381
Base-Backbone interact. energy: -2.262
local terms energy: -93.850120
where:
bonds (distance) C4'-P energy: -17.324
bonds (distance) P-C4' energy: -20.961
flat angles C4'-P-C4' energy: -20.098
flat angles P-C4'-P energy: -15.761
tors. eta vs tors. theta energy: -19.705
Dist. restrs. and SS energy: -50.400 (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: 217
Temperature: 1.150000
Total energy: -271.192013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.192013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.992013 (E_RNA)
where:
Base-Base interactions energy: -161.198
where: short stacking energy: -75.532
Base-Backbone interact. energy: -0.591
local terms energy: -75.203437
where:
bonds (distance) C4'-P energy: -19.779
bonds (distance) P-C4' energy: -17.812
flat angles C4'-P-C4' energy: -19.372
flat angles P-C4'-P energy: -7.669
tors. eta vs tors. theta energy: -10.571
Dist. restrs. and SS energy: -34.200 (S_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: 217
Temperature: 1.200000
Total energy: -289.750412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.750412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.750412 (E_RNA)
where:
Base-Base interactions energy: -160.641
where: short stacking energy: -78.609
Base-Backbone interact. energy: -0.230
local terms energy: -92.878988
where:
bonds (distance) C4'-P energy: -23.791
bonds (distance) P-C4' energy: -16.281
flat angles C4'-P-C4' energy: -19.508
flat angles P-C4'-P energy: -14.528
tors. eta vs tors. theta energy: -18.771
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -251.525457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.525457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.525457 (E_RNA)
where:
Base-Base interactions energy: -137.559
where: short stacking energy: -65.827
Base-Backbone interact. energy: -1.420
local terms energy: -76.546544
where:
bonds (distance) C4'-P energy: -14.815
bonds (distance) P-C4' energy: -18.836
flat angles C4'-P-C4' energy: -25.683
flat angles P-C4'-P energy: -8.619
tors. eta vs tors. theta energy: -8.593
Dist. restrs. and SS energy: -36.000 (S_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: 217
Temperature: 1.300000
Total energy: -281.873504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.873504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.673504 (E_RNA)
where:
Base-Base interactions energy: -157.691
where: short stacking energy: -77.996
Base-Backbone interact. energy: -0.126
local terms energy: -89.856649
where:
bonds (distance) C4'-P energy: -15.654
bonds (distance) P-C4' energy: -18.117
flat angles C4'-P-C4' energy: -20.055
flat angles P-C4'-P energy: -15.507
tors. eta vs tors. theta energy: -20.524
Dist. restrs. and SS energy: -34.200 (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: 217
Temperature: 1.350000
Total energy: -257.980648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.980648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.980648 (E_RNA)
where:
Base-Base interactions energy: -148.305
where: short stacking energy: -60.023
Base-Backbone interact. energy: -0.299
local terms energy: -73.376818
where:
bonds (distance) C4'-P energy: -6.081
bonds (distance) P-C4' energy: -25.229
flat angles C4'-P-C4' energy: -17.601
flat angles P-C4'-P energy: -12.846
tors. eta vs tors. theta energy: -11.619
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -428.190603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.190603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.790603 (E_RNA)
where:
Base-Base interactions energy: -255.723
where: short stacking energy: -100.625
Base-Backbone interact. energy: -0.386
local terms energy: -121.682016
where:
bonds (distance) C4'-P energy: -21.045
bonds (distance) P-C4' energy: -26.255
flat angles C4'-P-C4' energy: -25.422
flat angles P-C4'-P energy: -20.175
tors. eta vs tors. theta energy: -28.786
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -411.409511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.409511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.009511 (E_RNA)
where:
Base-Base interactions energy: -257.777
where: short stacking energy: -89.055
Base-Backbone interact. energy: -0.563
local terms energy: -102.669890
where:
bonds (distance) C4'-P energy: -20.508
bonds (distance) P-C4' energy: -15.056
flat angles C4'-P-C4' energy: -24.033
flat angles P-C4'-P energy: -18.265
tors. eta vs tors. theta energy: -24.808
Dist. restrs. and SS energy: -50.400 (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: 218
Temperature: 1.000000
Total energy: -376.670814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.670814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.070814 (E_RNA)
where:
Base-Base interactions energy: -218.543
where: short stacking energy: -89.283
Base-Backbone interact. energy: -0.381
local terms energy: -109.146817
where:
bonds (distance) C4'-P energy: -24.258
bonds (distance) P-C4' energy: -21.994
flat angles C4'-P-C4' energy: -23.076
flat angles P-C4'-P energy: -17.300
tors. eta vs tors. theta energy: -22.519
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -403.015446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.015446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.215446 (E_RNA)
where:
Base-Base interactions energy: -247.787
where: short stacking energy: -90.871
Base-Backbone interact. energy: -1.012
local terms energy: -107.416945
where:
bonds (distance) C4'-P energy: -19.515
bonds (distance) P-C4' energy: -24.464
flat angles C4'-P-C4' energy: -18.647
flat angles P-C4'-P energy: -17.036
tors. eta vs tors. theta energy: -27.755
Dist. restrs. and SS energy: -46.800 (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: 3
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -357.321622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.321622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.921622 (E_RNA)
where:
Base-Base interactions energy: -201.839
where: short stacking energy: -85.522
Base-Backbone interact. energy: -0.943
local terms energy: -104.139420
where:
bonds (distance) C4'-P energy: -18.952
bonds (distance) P-C4' energy: -22.097
flat angles C4'-P-C4' energy: -23.648
flat angles P-C4'-P energy: -17.263
tors. eta vs tors. theta energy: -22.179
Dist. restrs. and SS energy: -50.400 (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: 218
Temperature: 1.150000
Total energy: -288.898195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.898195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.898195 (E_RNA)
where:
Base-Base interactions energy: -165.587
where: short stacking energy: -77.671
Base-Backbone interact. energy: -0.278
local terms energy: -87.033540
where:
bonds (distance) C4'-P energy: -15.452
bonds (distance) P-C4' energy: -18.277
flat angles C4'-P-C4' energy: -24.427
flat angles P-C4'-P energy: -15.184
tors. eta vs tors. theta energy: -13.694
Dist. restrs. and SS energy: -36.000 (S_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: 218
Temperature: 1.200000
Total energy: -289.376978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.376978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.376978 (E_RNA)
where:
Base-Base interactions energy: -156.458
where: short stacking energy: -72.769
Base-Backbone interact. energy: 1.363
local terms energy: -98.282256
where:
bonds (distance) C4'-P energy: -22.005
bonds (distance) P-C4' energy: -22.377
flat angles C4'-P-C4' energy: -25.582
flat angles P-C4'-P energy: -15.675
tors. eta vs tors. theta energy: -12.644
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -261.502916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.502916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.502916 (E_RNA)
where:
Base-Base interactions energy: -139.867
where: short stacking energy: -70.327
Base-Backbone interact. energy: -0.508
local terms energy: -85.127795
where:
bonds (distance) C4'-P energy: -22.629
bonds (distance) P-C4' energy: -14.262
flat angles C4'-P-C4' energy: -20.142
flat angles P-C4'-P energy: -13.367
tors. eta vs tors. theta energy: -14.728
Dist. restrs. and SS energy: -36.000 (S_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: 218
Temperature: 1.300000
Total energy: -253.646238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.646238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.646238 (E_RNA)
where:
Base-Base interactions energy: -135.915
where: short stacking energy: -56.968
Base-Backbone interact. energy: -0.245
local terms energy: -81.486124
where:
bonds (distance) C4'-P energy: -18.966
bonds (distance) P-C4' energy: -16.542
flat angles C4'-P-C4' energy: -15.577
flat angles P-C4'-P energy: -16.350
tors. eta vs tors. theta energy: -14.051
Dist. restrs. and SS energy: -36.000 (S_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: 218
Temperature: 1.350000
Total energy: -259.505023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.505023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.105023 (E_RNA)
where:
Base-Base interactions energy: -136.159
where: short stacking energy: -56.420
Base-Backbone interact. energy: -0.329
local terms energy: -90.616793
where:
bonds (distance) C4'-P energy: -17.607
bonds (distance) P-C4' energy: -22.202
flat angles C4'-P-C4' energy: -22.558
flat angles P-C4'-P energy: -14.255
tors. eta vs tors. theta energy: -13.995
Dist. restrs. and SS energy: -32.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -415.170821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.170821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.770821 (E_RNA)
where:
Base-Base interactions energy: -247.263
where: short stacking energy: -94.415
Base-Backbone interact. energy: -0.086
local terms energy: -117.421460
where:
bonds (distance) C4'-P energy: -24.646
bonds (distance) P-C4' energy: -21.850
flat angles C4'-P-C4' energy: -26.726
flat angles P-C4'-P energy: -16.136
tors. eta vs tors. theta energy: -28.063
Dist. restrs. and SS energy: -50.400 (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: 8
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -379.830003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.830003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.430003 (E_RNA)
where:
Base-Base interactions energy: -226.401
where: short stacking energy: -84.534
Base-Backbone interact. energy: -0.877
local terms energy: -102.151867
where:
bonds (distance) C4'-P energy: -23.472
bonds (distance) P-C4' energy: -22.781
flat angles C4'-P-C4' energy: -19.220
flat angles P-C4'-P energy: -15.383
tors. eta vs tors. theta energy: -21.295
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -409.395349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.395349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.995349 (E_RNA)
where:
Base-Base interactions energy: -256.874
where: short stacking energy: -94.090
Base-Backbone interact. energy: -1.204
local terms energy: -100.917754
where:
bonds (distance) C4'-P energy: -15.185
bonds (distance) P-C4' energy: -23.260
flat angles C4'-P-C4' energy: -20.903
flat angles P-C4'-P energy: -13.370
tors. eta vs tors. theta energy: -28.200
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -390.633673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.633673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.233673 (E_RNA)
where:
Base-Base interactions energy: -236.047
where: short stacking energy: -98.205
Base-Backbone interact. energy: -1.017
local terms energy: -103.169852
where:
bonds (distance) C4'-P energy: -21.613
bonds (distance) P-C4' energy: -18.103
flat angles C4'-P-C4' energy: -25.400
flat angles P-C4'-P energy: -12.940
tors. eta vs tors. theta energy: -25.114
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -363.965417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.965417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.565417 (E_RNA)
where:
Base-Base interactions energy: -211.233
where: short stacking energy: -92.648
Base-Backbone interact. energy: -0.632
local terms energy: -101.700369
where:
bonds (distance) C4'-P energy: -19.781
bonds (distance) P-C4' energy: -19.391
flat angles C4'-P-C4' energy: -19.080
flat angles P-C4'-P energy: -17.529
tors. eta vs tors. theta energy: -25.919
Dist. restrs. and SS energy: -50.400 (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: 219
Temperature: 1.150000
Total energy: -298.205318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.205318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.205318 (E_RNA)
where:
Base-Base interactions energy: -164.078
where: short stacking energy: -68.325
Base-Backbone interact. energy: -0.251
local terms energy: -97.876318
where:
bonds (distance) C4'-P energy: -21.022
bonds (distance) P-C4' energy: -24.045
flat angles C4'-P-C4' energy: -23.641
flat angles P-C4'-P energy: -18.424
tors. eta vs tors. theta energy: -10.744
Dist. restrs. and SS energy: -36.000 (S_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: 219
Temperature: 1.200000
Total energy: -282.658090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.658090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.658090 (E_RNA)
where:
Base-Base interactions energy: -159.499
where: short stacking energy: -66.585
Base-Backbone interact. energy: -0.690
local terms energy: -86.468799
where:
bonds (distance) C4'-P energy: -21.174
bonds (distance) P-C4' energy: -18.639
flat angles C4'-P-C4' energy: -18.932
flat angles P-C4'-P energy: -13.395
tors. eta vs tors. theta energy: -14.328
Dist. restrs. and SS energy: -36.000 (S_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: 219
Temperature: 1.250000
Total energy: -259.306734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.306734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.306734 (E_RNA)
where:
Base-Base interactions energy: -139.062
where: short stacking energy: -71.750
Base-Backbone interact. energy: -0.387
local terms energy: -83.857372
where:
bonds (distance) C4'-P energy: -14.141
bonds (distance) P-C4' energy: -19.542
flat angles C4'-P-C4' energy: -19.016
flat angles P-C4'-P energy: -13.432
tors. eta vs tors. theta energy: -17.727
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -258.967380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.967380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.967380 (E_RNA)
where:
Base-Base interactions energy: -140.690
where: short stacking energy: -67.524
Base-Backbone interact. energy: -0.936
local terms energy: -81.341686
where:
bonds (distance) C4'-P energy: -17.353
bonds (distance) P-C4' energy: -22.526
flat angles C4'-P-C4' energy: -17.249
flat angles P-C4'-P energy: -17.234
tors. eta vs tors. theta energy: -6.980
Dist. restrs. and SS energy: -36.000 (S_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: 219
Temperature: 1.350000
Total energy: -253.803078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.803078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.803078 (E_RNA)
where:
Base-Base interactions energy: -140.535
where: short stacking energy: -61.711
Base-Backbone interact. energy: -1.156
local terms energy: -76.111753
where:
bonds (distance) C4'-P energy: -20.861
bonds (distance) P-C4' energy: -18.751
flat angles C4'-P-C4' energy: -11.930
flat angles P-C4'-P energy: -14.920
tors. eta vs tors. theta energy: -9.649
Dist. restrs. and SS energy: -36.000 (S_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: 220
Temperature: 0.900000
Total energy: -413.822644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.822644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.422644 (E_RNA)
where:
Base-Base interactions energy: -244.217
where: short stacking energy: -98.608
Base-Backbone interact. energy: -1.738
local terms energy: -117.466903
where:
bonds (distance) C4'-P energy: -23.704
bonds (distance) P-C4' energy: -23.669
flat angles C4'-P-C4' energy: -22.147
flat angles P-C4'-P energy: -18.518
tors. eta vs tors. theta energy: -29.428
Dist. restrs. and SS energy: -50.400 (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: 8
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -387.040857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.040857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.440857 (E_RNA)
where:
Base-Base interactions energy: -232.299
where: short stacking energy: -85.450
Base-Backbone interact. energy: -2.139
local terms energy: -104.002790
where:
bonds (distance) C4'-P energy: -20.802
bonds (distance) P-C4' energy: -19.647
flat angles C4'-P-C4' energy: -25.049
flat angles P-C4'-P energy: -14.345
tors. eta vs tors. theta energy: -24.160
Dist. restrs. and SS energy: -48.600 (S_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: 220
Temperature: 1.000000
Total energy: -409.134422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.134422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.534422 (E_RNA)
where:
Base-Base interactions energy: -245.018
where: short stacking energy: -99.054
Base-Backbone interact. energy: -1.422
local terms energy: -114.094096
where:
bonds (distance) C4'-P energy: -22.778
bonds (distance) P-C4' energy: -23.913
flat angles C4'-P-C4' energy: -26.612
flat angles P-C4'-P energy: -16.180
tors. eta vs tors. theta energy: -24.612
Dist. restrs. and SS energy: -48.600 (S_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: 220
Temperature: 1.050000
Total energy: -390.950456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.950456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.550456 (E_RNA)
where:
Base-Base interactions energy: -241.161
where: short stacking energy: -94.842
Base-Backbone interact. energy: -2.785
local terms energy: -96.604100
where:
bonds (distance) C4'-P energy: -15.710
bonds (distance) P-C4' energy: -14.857
flat angles C4'-P-C4' energy: -24.745
flat angles P-C4'-P energy: -17.739
tors. eta vs tors. theta energy: -23.553
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -364.195481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.195481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.795481 (E_RNA)
where:
Base-Base interactions energy: -222.057
where: short stacking energy: -87.409
Base-Backbone interact. energy: -1.234
local terms energy: -90.504486
where:
bonds (distance) C4'-P energy: -12.381
bonds (distance) P-C4' energy: -25.966
flat angles C4'-P-C4' energy: -21.139
flat angles P-C4'-P energy: -9.728
tors. eta vs tors. theta energy: -21.291
Dist. restrs. and SS energy: -50.400 (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: 220
Temperature: 1.150000
Total energy: -275.339801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.339801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.339801 (E_RNA)
where:
Base-Base interactions energy: -153.120
where: short stacking energy: -68.964
Base-Backbone interact. energy: -0.369
local terms energy: -85.850738
where:
bonds (distance) C4'-P energy: -18.299
bonds (distance) P-C4' energy: -19.882
flat angles C4'-P-C4' energy: -19.014
flat angles P-C4'-P energy: -16.465
tors. eta vs tors. theta energy: -12.191
Dist. restrs. and SS energy: -36.000 (S_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: 220
Temperature: 1.200000
Total energy: -319.857038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.857038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.257038 (E_RNA)
where:
Base-Base interactions energy: -196.120
where: short stacking energy: -77.970
Base-Backbone interact. energy: -0.129
local terms energy: -84.008701
where:
bonds (distance) C4'-P energy: -11.178
bonds (distance) P-C4' energy: -18.941
flat angles C4'-P-C4' energy: -22.213
flat angles P-C4'-P energy: -12.251
tors. eta vs tors. theta energy: -19.427
Dist. restrs. and SS energy: -39.600 (S_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: 220
Temperature: 1.250000
Total energy: -271.094575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.094575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.094575 (E_RNA)
where:
Base-Base interactions energy: -140.918
where: short stacking energy: -57.457
Base-Backbone interact. energy: -0.257
local terms energy: -93.919863
where:
bonds (distance) C4'-P energy: -22.523
bonds (distance) P-C4' energy: -23.967
flat angles C4'-P-C4' energy: -17.554
flat angles P-C4'-P energy: -14.351
tors. eta vs tors. theta energy: -15.524
Dist. restrs. and SS energy: -36.000 (S_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: 220
Temperature: 1.300000
Total energy: -253.911258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.911258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.511258 (E_RNA)
where:
Base-Base interactions energy: -128.717
where: short stacking energy: -58.407
Base-Backbone interact. energy: -0.290
local terms energy: -92.503934
where:
bonds (distance) C4'-P energy: -23.153
bonds (distance) P-C4' energy: -25.458
flat angles C4'-P-C4' energy: -22.503
flat angles P-C4'-P energy: -9.952
tors. eta vs tors. theta energy: -11.437
Dist. restrs. and SS energy: -32.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -252.982416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.982416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.782416 (E_RNA)
where:
Base-Base interactions energy: -140.714
where: short stacking energy: -65.288
Base-Backbone interact. energy: 1.240
local terms energy: -79.308481
where:
bonds (distance) C4'-P energy: -15.625
bonds (distance) P-C4' energy: -22.140
flat angles C4'-P-C4' energy: -22.094
flat angles P-C4'-P energy: -4.948
tors. eta vs tors. theta energy: -14.503
Dist. restrs. and SS energy: -34.200 (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: 221
Temperature: 0.900000
Total energy: -416.636131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.636131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.236131 (E_RNA)
where:
Base-Base interactions energy: -252.814
where: short stacking energy: -95.919
Base-Backbone interact. energy: -0.739
local terms energy: -112.683293
where:
bonds (distance) C4'-P energy: -22.216
bonds (distance) P-C4' energy: -20.864
flat angles C4'-P-C4' energy: -23.636
flat angles P-C4'-P energy: -15.413
tors. eta vs tors. theta energy: -30.555
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -404.477089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.477089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.077089 (E_RNA)
where:
Base-Base interactions energy: -238.110
where: short stacking energy: -97.026
Base-Backbone interact. energy: -0.541
local terms energy: -115.426314
where:
bonds (distance) C4'-P energy: -23.267
bonds (distance) P-C4' energy: -22.657
flat angles C4'-P-C4' energy: -23.066
flat angles P-C4'-P energy: -20.125
tors. eta vs tors. theta energy: -26.312
Dist. restrs. and SS energy: -50.400 (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: 221
Temperature: 1.000000
Total energy: -376.267326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.267326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.867326 (E_RNA)
where:
Base-Base interactions energy: -224.711
where: short stacking energy: -92.460
Base-Backbone interact. energy: -0.983
local terms energy: -100.173177
where:
bonds (distance) C4'-P energy: -21.965
bonds (distance) P-C4' energy: -19.579
flat angles C4'-P-C4' energy: -18.340
flat angles P-C4'-P energy: -14.611
tors. eta vs tors. theta energy: -25.680
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -384.780749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.780749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.380749 (E_RNA)
where:
Base-Base interactions energy: -225.393
where: short stacking energy: -91.655
Base-Backbone interact. energy: -0.729
local terms energy: -108.258777
where:
bonds (distance) C4'-P energy: -27.108
bonds (distance) P-C4' energy: -17.131
flat angles C4'-P-C4' energy: -24.117
flat angles P-C4'-P energy: -17.621
tors. eta vs tors. theta energy: -22.283
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -381.647891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.647891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.047891 (E_RNA)
where:
Base-Base interactions energy: -229.415
where: short stacking energy: -87.416
Base-Backbone interact. energy: -0.548
local terms energy: -103.084563
where:
bonds (distance) C4'-P energy: -20.640
bonds (distance) P-C4' energy: -22.510
flat angles C4'-P-C4' energy: -15.708
flat angles P-C4'-P energy: -19.386
tors. eta vs tors. theta energy: -24.840
Dist. restrs. and SS energy: -48.600 (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: 6
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -297.020881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.020881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.820881 (E_RNA)
where:
Base-Base interactions energy: -165.237
where: short stacking energy: -68.368
Base-Backbone interact. energy: -0.328
local terms energy: -88.255560
where:
bonds (distance) C4'-P energy: -17.220
bonds (distance) P-C4' energy: -24.532
flat angles C4'-P-C4' energy: -18.373
flat angles P-C4'-P energy: -15.516
tors. eta vs tors. theta energy: -12.614
Dist. restrs. and SS energy: -43.200 (S_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: -289.578171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.578171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.378171 (E_RNA)
where:
Base-Base interactions energy: -161.079
where: short stacking energy: -83.682
Base-Backbone interact. energy: -0.104
local terms energy: -94.195110
where:
bonds (distance) C4'-P energy: -20.773
bonds (distance) P-C4' energy: -20.957
flat angles C4'-P-C4' energy: -23.448
flat angles P-C4'-P energy: -11.256
tors. eta vs tors. theta energy: -17.760
Dist. restrs. and SS energy: -34.200 (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: 7
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -267.362410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.362410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.362410 (E_RNA)
where:
Base-Base interactions energy: -150.640
where: short stacking energy: -66.251
Base-Backbone interact. energy: 0.645
local terms energy: -81.366858
where:
bonds (distance) C4'-P energy: -16.509
bonds (distance) P-C4' energy: -16.759
flat angles C4'-P-C4' energy: -20.273
flat angles P-C4'-P energy: -13.804
tors. eta vs tors. theta energy: -14.022
Dist. restrs. and SS energy: -36.000 (S_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: 221
Temperature: 1.300000
Total energy: -265.432698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.432698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.432698 (E_RNA)
where:
Base-Base interactions energy: -135.078
where: short stacking energy: -60.945
Base-Backbone interact. energy: 0.613
local terms energy: -94.967080
where:
bonds (distance) C4'-P energy: -24.912
bonds (distance) P-C4' energy: -23.223
flat angles C4'-P-C4' energy: -23.330
flat angles P-C4'-P energy: -14.855
tors. eta vs tors. theta energy: -8.647
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -247.317015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.317015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.317015 (E_RNA)
where:
Base-Base interactions energy: -126.710
where: short stacking energy: -57.362
Base-Backbone interact. energy: -0.249
local terms energy: -84.357975
where:
bonds (distance) C4'-P energy: -15.419
bonds (distance) P-C4' energy: -23.552
flat angles C4'-P-C4' energy: -21.206
flat angles P-C4'-P energy: -14.124
tors. eta vs tors. theta energy: -10.056
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -418.757940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.757940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.357940 (E_RNA)
where:
Base-Base interactions energy: -254.041
where: short stacking energy: -101.712
Base-Backbone interact. energy: -1.118
local terms energy: -113.198228
where:
bonds (distance) C4'-P energy: -22.347
bonds (distance) P-C4' energy: -22.866
flat angles C4'-P-C4' energy: -26.803
flat angles P-C4'-P energy: -11.294
tors. eta vs tors. theta energy: -29.887
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -419.325925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.325925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.925925 (E_RNA)
where:
Base-Base interactions energy: -247.884
where: short stacking energy: -104.648
Base-Backbone interact. energy: 0.532
local terms energy: -121.573302
where:
bonds (distance) C4'-P energy: -22.265
bonds (distance) P-C4' energy: -23.819
flat angles C4'-P-C4' energy: -30.081
flat angles P-C4'-P energy: -17.756
tors. eta vs tors. theta energy: -27.651
Dist. restrs. and SS energy: -50.400 (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: 222
Temperature: 1.000000
Total energy: -398.167767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.167767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.767767 (E_RNA)
where:
Base-Base interactions energy: -242.911
where: short stacking energy: -90.807
Base-Backbone interact. energy: -0.299
local terms energy: -104.558629
where:
bonds (distance) C4'-P energy: -20.571
bonds (distance) P-C4' energy: -21.928
flat angles C4'-P-C4' energy: -19.961
flat angles P-C4'-P energy: -13.180
tors. eta vs tors. theta energy: -28.918
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -378.942877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.942877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.542877 (E_RNA)
where:
Base-Base interactions energy: -221.971
where: short stacking energy: -83.794
Base-Backbone interact. energy: -0.530
local terms energy: -106.042429
where:
bonds (distance) C4'-P energy: -22.973
bonds (distance) P-C4' energy: -22.180
flat angles C4'-P-C4' energy: -22.030
flat angles P-C4'-P energy: -16.930
tors. eta vs tors. theta energy: -21.930
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -387.302973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.302973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.902973 (E_RNA)
where:
Base-Base interactions energy: -232.756
where: short stacking energy: -80.841
Base-Backbone interact. energy: 0.488
local terms energy: -104.634393
where:
bonds (distance) C4'-P energy: -17.801
bonds (distance) P-C4' energy: -21.176
flat angles C4'-P-C4' energy: -24.663
flat angles P-C4'-P energy: -14.830
tors. eta vs tors. theta energy: -26.165
Dist. restrs. and SS energy: -50.400 (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: 6
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -318.067708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.067708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.067708 (E_RNA)
where:
Base-Base interactions energy: -190.595
where: short stacking energy: -69.553
Base-Backbone interact. energy: -0.175
local terms energy: -91.298426
where:
bonds (distance) C4'-P energy: -21.370
bonds (distance) P-C4' energy: -18.083
flat angles C4'-P-C4' energy: -23.190
flat angles P-C4'-P energy: -13.088
tors. eta vs tors. theta energy: -15.568
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -291.666510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.666510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.066510 (E_RNA)
where:
Base-Base interactions energy: -166.466
where: short stacking energy: -72.588
Base-Backbone interact. energy: -0.321
local terms energy: -94.279560
where:
bonds (distance) C4'-P energy: -20.236
bonds (distance) P-C4' energy: -24.511
flat angles C4'-P-C4' energy: -23.819
flat angles P-C4'-P energy: -9.634
tors. eta vs tors. theta energy: -16.081
Dist. restrs. and SS energy: -30.600 (S_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: -276.654303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.654303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.654303 (E_RNA)
where:
Base-Base interactions energy: -149.489
where: short stacking energy: -66.344
Base-Backbone interact. energy: -0.299
local terms energy: -90.866548
where:
bonds (distance) C4'-P energy: -23.583
bonds (distance) P-C4' energy: -16.071
flat angles C4'-P-C4' energy: -23.123
flat angles P-C4'-P energy: -11.406
tors. eta vs tors. theta energy: -16.684
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -260.179617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.179617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.179617 (E_RNA)
where:
Base-Base interactions energy: -142.933
where: short stacking energy: -64.784
Base-Backbone interact. energy: -0.368
local terms energy: -80.879339
where:
bonds (distance) C4'-P energy: -20.637
bonds (distance) P-C4' energy: -18.214
flat angles C4'-P-C4' energy: -20.662
flat angles P-C4'-P energy: -10.724
tors. eta vs tors. theta energy: -10.641
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -268.617371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.617371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.617371 (E_RNA)
where:
Base-Base interactions energy: -161.056
where: short stacking energy: -74.329
Base-Backbone interact. energy: 1.803
local terms energy: -73.365000
where:
bonds (distance) C4'-P energy: -16.870
bonds (distance) P-C4' energy: -18.421
flat angles C4'-P-C4' energy: -17.285
flat angles P-C4'-P energy: -6.922
tors. eta vs tors. theta energy: -13.867
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -417.301718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.301718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.901718 (E_RNA)
where:
Base-Base interactions energy: -257.493
where: short stacking energy: -100.085
Base-Backbone interact. energy: -0.920
local terms energy: -108.489308
where:
bonds (distance) C4'-P energy: -19.912
bonds (distance) P-C4' energy: -19.888
flat angles C4'-P-C4' energy: -22.796
flat angles P-C4'-P energy: -14.931
tors. eta vs tors. theta energy: -30.963
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -408.406969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.406969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.006969 (E_RNA)
where:
Base-Base interactions energy: -248.723
where: short stacking energy: -106.773
Base-Backbone interact. energy: -0.754
local terms energy: -108.529486
where:
bonds (distance) C4'-P energy: -16.990
bonds (distance) P-C4' energy: -24.128
flat angles C4'-P-C4' energy: -24.229
flat angles P-C4'-P energy: -17.573
tors. eta vs tors. theta energy: -25.609
Dist. restrs. and SS energy: -50.400 (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: 223
Temperature: 1.000000
Total energy: -402.348570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.348570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.948570 (E_RNA)
where:
Base-Base interactions energy: -246.652
where: short stacking energy: -87.172
Base-Backbone interact. energy: -1.261
local terms energy: -104.035972
where:
bonds (distance) C4'-P energy: -19.139
bonds (distance) P-C4' energy: -20.305
flat angles C4'-P-C4' energy: -22.141
flat angles P-C4'-P energy: -15.818
tors. eta vs tors. theta energy: -26.633
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -393.185801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.185801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.785801 (E_RNA)
where:
Base-Base interactions energy: -245.389
where: short stacking energy: -88.940
Base-Backbone interact. energy: 0.332
local terms energy: -97.728778
where:
bonds (distance) C4'-P energy: -20.570
bonds (distance) P-C4' energy: -14.534
flat angles C4'-P-C4' energy: -23.737
flat angles P-C4'-P energy: -16.430
tors. eta vs tors. theta energy: -22.458
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -356.450554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.450554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.050554 (E_RNA)
where:
Base-Base interactions energy: -208.541
where: short stacking energy: -74.985
Base-Backbone interact. energy: -0.890
local terms energy: -96.619440
where:
bonds (distance) C4'-P energy: -17.884
bonds (distance) P-C4' energy: -24.052
flat angles C4'-P-C4' energy: -18.511
flat angles P-C4'-P energy: -18.710
tors. eta vs tors. theta energy: -17.463
Dist. restrs. and SS energy: -50.400 (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: 6
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -322.387746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.387746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.387746 (E_RNA)
where:
Base-Base interactions energy: -191.848
where: short stacking energy: -64.083
Base-Backbone interact. energy: -0.622
local terms energy: -93.918030
where:
bonds (distance) C4'-P energy: -17.471
bonds (distance) P-C4' energy: -22.328
flat angles C4'-P-C4' energy: -24.626
flat angles P-C4'-P energy: -14.960
tors. eta vs tors. theta energy: -14.532
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -311.043909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.043909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.043909 (E_RNA)
where:
Base-Base interactions energy: -180.092
where: short stacking energy: -70.269
Base-Backbone interact. energy: -0.243
local terms energy: -94.708954
where:
bonds (distance) C4'-P energy: -17.705
bonds (distance) P-C4' energy: -21.842
flat angles C4'-P-C4' energy: -24.524
flat angles P-C4'-P energy: -17.444
tors. eta vs tors. theta energy: -13.193
Dist. restrs. and SS energy: -36.000 (S_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: 223
Temperature: 1.250000
Total energy: -266.279767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.279767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.879767 (E_RNA)
where:
Base-Base interactions energy: -158.288
where: short stacking energy: -72.739
Base-Backbone interact. energy: -0.531
local terms energy: -75.060380
where:
bonds (distance) C4'-P energy: -20.661
bonds (distance) P-C4' energy: -11.145
flat angles C4'-P-C4' energy: -19.170
flat angles P-C4'-P energy: -13.620
tors. eta vs tors. theta energy: -10.465
Dist. restrs. and SS energy: -32.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -261.943968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.943968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.943968 (E_RNA)
where:
Base-Base interactions energy: -146.319
where: short stacking energy: -61.233
Base-Backbone interact. energy: 1.017
local terms energy: -80.641633
where:
bonds (distance) C4'-P energy: -16.928
bonds (distance) P-C4' energy: -16.906
flat angles C4'-P-C4' energy: -19.890
flat angles P-C4'-P energy: -16.475
tors. eta vs tors. theta energy: -10.443
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -257.147482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.147482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.147482 (E_RNA)
where:
Base-Base interactions energy: -135.235
where: short stacking energy: -61.116
Base-Backbone interact. energy: -0.151
local terms energy: -85.761519
where:
bonds (distance) C4'-P energy: -21.423
bonds (distance) P-C4' energy: -26.449
flat angles C4'-P-C4' energy: -21.078
flat angles P-C4'-P energy: -10.524
tors. eta vs tors. theta energy: -6.287
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -411.454449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.454449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.054449 (E_RNA)
where:
Base-Base interactions energy: -245.808
where: short stacking energy: -97.876
Base-Backbone interact. energy: -0.564
local terms energy: -114.682018
where:
bonds (distance) C4'-P energy: -21.821
bonds (distance) P-C4' energy: -21.980
flat angles C4'-P-C4' energy: -26.149
flat angles P-C4'-P energy: -18.735
tors. eta vs tors. theta energy: -25.997
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -409.997878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.997878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.597878 (E_RNA)
where:
Base-Base interactions energy: -253.739
where: short stacking energy: -104.096
Base-Backbone interact. energy: -0.416
local terms energy: -105.442232
where:
bonds (distance) C4'-P energy: -18.121
bonds (distance) P-C4' energy: -24.127
flat angles C4'-P-C4' energy: -18.916
flat angles P-C4'-P energy: -18.830
tors. eta vs tors. theta energy: -25.449
Dist. restrs. and SS energy: -50.400 (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: 224
Temperature: 1.000000
Total energy: -405.316344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.316344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.716344 (E_RNA)
where:
Base-Base interactions energy: -243.868
where: short stacking energy: -94.366
Base-Backbone interact. energy: -1.112
local terms energy: -111.736302
where:
bonds (distance) C4'-P energy: -20.013
bonds (distance) P-C4' energy: -22.186
flat angles C4'-P-C4' energy: -24.250
flat angles P-C4'-P energy: -18.146
tors. eta vs tors. theta energy: -27.142
Dist. restrs. and SS energy: -48.600 (S_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: 224
Temperature: 1.050000
Total energy: -398.537838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.537838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.137838 (E_RNA)
where:
Base-Base interactions energy: -243.012
where: short stacking energy: -94.676
Base-Backbone interact. energy: -0.796
local terms energy: -104.330108
where:
bonds (distance) C4'-P energy: -19.233
bonds (distance) P-C4' energy: -20.709
flat angles C4'-P-C4' energy: -18.625
flat angles P-C4'-P energy: -17.871
tors. eta vs tors. theta energy: -27.891
Dist. restrs. and SS energy: -50.400 (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: 6
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -321.081557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.081557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.081557 (E_RNA)
where:
Base-Base interactions energy: -189.102
where: short stacking energy: -86.943
Base-Backbone interact. energy: -0.797
local terms energy: -95.182106
where:
bonds (distance) C4'-P energy: -19.228
bonds (distance) P-C4' energy: -23.134
flat angles C4'-P-C4' energy: -16.531
flat angles P-C4'-P energy: -15.160
tors. eta vs tors. theta energy: -21.129
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -363.933652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.933652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.333652 (E_RNA)
where:
Base-Base interactions energy: -223.298
where: short stacking energy: -79.559
Base-Backbone interact. energy: 0.442
local terms energy: -92.477826
where:
bonds (distance) C4'-P energy: -20.180
bonds (distance) P-C4' energy: -16.418
flat angles C4'-P-C4' energy: -16.988
flat angles P-C4'-P energy: -19.955
tors. eta vs tors. theta energy: -18.938
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -282.814944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.814944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.614944 (E_RNA)
where:
Base-Base interactions energy: -164.300
where: short stacking energy: -67.392
Base-Backbone interact. energy: -0.229
local terms energy: -84.085252
where:
bonds (distance) C4'-P energy: -18.152
bonds (distance) P-C4' energy: -23.682
flat angles C4'-P-C4' energy: -17.186
flat angles P-C4'-P energy: -15.740
tors. eta vs tors. theta energy: -9.325
Dist. restrs. and SS energy: -34.200 (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: 7
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -284.866668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.866668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.666668 (E_RNA)
where:
Base-Base interactions energy: -162.417
where: short stacking energy: -62.256
Base-Backbone interact. energy: -0.400
local terms energy: -87.849495
where:
bonds (distance) C4'-P energy: -16.591
bonds (distance) P-C4' energy: -26.160
flat angles C4'-P-C4' energy: -18.389
flat angles P-C4'-P energy: -14.840
tors. eta vs tors. theta energy: -11.869
Dist. restrs. and SS energy: -34.200 (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: 9
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -283.028029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.028029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.028029 (E_RNA)
where:
Base-Base interactions energy: -149.525
where: short stacking energy: -69.728
Base-Backbone interact. energy: -0.005
local terms energy: -97.498255
where:
bonds (distance) C4'-P energy: -19.336
bonds (distance) P-C4' energy: -22.545
flat angles C4'-P-C4' energy: -27.891
flat angles P-C4'-P energy: -10.092
tors. eta vs tors. theta energy: -17.633
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -256.161844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.161844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.161844 (E_RNA)
where:
Base-Base interactions energy: -141.139
where: short stacking energy: -70.569
Base-Backbone interact. energy: -0.394
local terms energy: -78.628291
where:
bonds (distance) C4'-P energy: -17.141
bonds (distance) P-C4' energy: -13.936
flat angles C4'-P-C4' energy: -20.643
flat angles P-C4'-P energy: -11.935
tors. eta vs tors. theta energy: -14.973
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -420.789519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.789519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.389519 (E_RNA)
where:
Base-Base interactions energy: -267.311
where: short stacking energy: -104.419
Base-Backbone interact. energy: -0.451
local terms energy: -102.627193
where:
bonds (distance) C4'-P energy: -21.994
bonds (distance) P-C4' energy: -23.306
flat angles C4'-P-C4' energy: -18.443
flat angles P-C4'-P energy: -12.969
tors. eta vs tors. theta energy: -25.914
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -403.762058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.762058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.362058 (E_RNA)
where:
Base-Base interactions energy: -245.984
where: short stacking energy: -92.892
Base-Backbone interact. energy: 0.791
local terms energy: -108.169003
where:
bonds (distance) C4'-P energy: -20.468
bonds (distance) P-C4' energy: -25.435
flat angles C4'-P-C4' energy: -24.419
flat angles P-C4'-P energy: -13.884
tors. eta vs tors. theta energy: -23.964
Dist. restrs. and SS energy: -50.400 (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: 225
Temperature: 1.000000
Total energy: -404.756485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.756485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.356485 (E_RNA)
where:
Base-Base interactions energy: -240.652
where: short stacking energy: -92.355
Base-Backbone interact. energy: -0.010
local terms energy: -113.694091
where:
bonds (distance) C4'-P energy: -22.198
bonds (distance) P-C4' energy: -23.400
flat angles C4'-P-C4' energy: -21.892
flat angles P-C4'-P energy: -17.134
tors. eta vs tors. theta energy: -29.070
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -389.640710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.640710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.040710 (E_RNA)
where:
Base-Base interactions energy: -229.915
where: short stacking energy: -93.797
Base-Backbone interact. energy: -0.530
local terms energy: -110.595899
where:
bonds (distance) C4'-P energy: -26.574
bonds (distance) P-C4' energy: -18.077
flat angles C4'-P-C4' energy: -21.414
flat angles P-C4'-P energy: -19.749
tors. eta vs tors. theta energy: -24.782
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -300.132039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.132039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.132039 (E_RNA)
where:
Base-Base interactions energy: -169.428
where: short stacking energy: -62.532
Base-Backbone interact. energy: 0.595
local terms energy: -95.299487
where:
bonds (distance) C4'-P energy: -19.767
bonds (distance) P-C4' energy: -16.831
flat angles C4'-P-C4' energy: -26.874
flat angles P-C4'-P energy: -16.707
tors. eta vs tors. theta energy: -15.121
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -351.297248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.297248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.897248 (E_RNA)
where:
Base-Base interactions energy: -208.319
where: short stacking energy: -78.202
Base-Backbone interact. energy: -0.058
local terms energy: -92.520867
where:
bonds (distance) C4'-P energy: -17.362
bonds (distance) P-C4' energy: -20.505
flat angles C4'-P-C4' energy: -22.743
flat angles P-C4'-P energy: -13.802
tors. eta vs tors. theta energy: -18.108
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -278.672828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.672828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.672828 (E_RNA)
where:
Base-Base interactions energy: -160.993
where: short stacking energy: -61.367
Base-Backbone interact. energy: -1.132
local terms energy: -80.547691
where:
bonds (distance) C4'-P energy: -19.060
bonds (distance) P-C4' energy: -16.358
flat angles C4'-P-C4' energy: -22.971
flat angles P-C4'-P energy: -3.694
tors. eta vs tors. theta energy: -18.465
Dist. restrs. and SS energy: -36.000 (S_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: 225
Temperature: 1.250000
Total energy: -285.816812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.816812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.816812 (E_RNA)
where:
Base-Base interactions energy: -154.178
where: short stacking energy: -72.172
Base-Backbone interact. energy: -0.153
local terms energy: -95.485653
where:
bonds (distance) C4'-P energy: -14.647
bonds (distance) P-C4' energy: -21.445
flat angles C4'-P-C4' energy: -27.105
flat angles P-C4'-P energy: -14.473
tors. eta vs tors. theta energy: -17.814
Dist. restrs. and SS energy: -36.000 (S_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: 225
Temperature: 1.300000
Total energy: -277.434152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.434152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.034152 (E_RNA)
where:
Base-Base interactions energy: -154.508
where: short stacking energy: -63.182
Base-Backbone interact. energy: -0.146
local terms energy: -90.380145
where:
bonds (distance) C4'-P energy: -14.877
bonds (distance) P-C4' energy: -19.167
flat angles C4'-P-C4' energy: -23.560
flat angles P-C4'-P energy: -12.134
tors. eta vs tors. theta energy: -20.642
Dist. restrs. and SS energy: -32.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -270.062692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.062692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.062692 (E_RNA)
where:
Base-Base interactions energy: -162.786
where: short stacking energy: -62.778
Base-Backbone interact. energy: -0.808
local terms energy: -70.468638
where:
bonds (distance) C4'-P energy: -9.420
bonds (distance) P-C4' energy: -19.356
flat angles C4'-P-C4' energy: -18.743
flat angles P-C4'-P energy: -8.505
tors. eta vs tors. theta energy: -14.445
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -422.092892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.092892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.692892 (E_RNA)
where:
Base-Base interactions energy: -263.411
where: short stacking energy: -97.178
Base-Backbone interact. energy: -0.304
local terms energy: -107.978525
where:
bonds (distance) C4'-P energy: -22.103
bonds (distance) P-C4' energy: -26.726
flat angles C4'-P-C4' energy: -21.890
flat angles P-C4'-P energy: -13.498
tors. eta vs tors. theta energy: -23.762
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -407.981406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.981406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.581406 (E_RNA)
where:
Base-Base interactions energy: -242.409
where: short stacking energy: -94.964
Base-Backbone interact. energy: -1.450
local terms energy: -113.721758
where:
bonds (distance) C4'-P energy: -20.674
bonds (distance) P-C4' energy: -27.931
flat angles C4'-P-C4' energy: -24.716
flat angles P-C4'-P energy: -12.950
tors. eta vs tors. theta energy: -27.450
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -407.283688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.283688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.883688 (E_RNA)
where:
Base-Base interactions energy: -240.073
where: short stacking energy: -98.575
Base-Backbone interact. energy: -2.047
local terms energy: -114.763588
where:
bonds (distance) C4'-P energy: -25.647
bonds (distance) P-C4' energy: -20.265
flat angles C4'-P-C4' energy: -23.832
flat angles P-C4'-P energy: -17.831
tors. eta vs tors. theta energy: -27.189
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -387.063687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.063687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.663687 (E_RNA)
where:
Base-Base interactions energy: -228.148
where: short stacking energy: -90.828
Base-Backbone interact. energy: 0.004
local terms energy: -108.519674
where:
bonds (distance) C4'-P energy: -23.445
bonds (distance) P-C4' energy: -22.511
flat angles C4'-P-C4' energy: -23.512
flat angles P-C4'-P energy: -15.194
tors. eta vs tors. theta energy: -23.857
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -343.663483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.663483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.063483 (E_RNA)
where:
Base-Base interactions energy: -206.788
where: short stacking energy: -80.451
Base-Backbone interact. energy: -1.284
local terms energy: -86.991822
where:
bonds (distance) C4'-P energy: -21.879
bonds (distance) P-C4' energy: -17.271
flat angles C4'-P-C4' energy: -25.852
flat angles P-C4'-P energy: -10.794
tors. eta vs tors. theta energy: -11.196
Dist. restrs. and SS energy: -48.600 (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: 6
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -298.797047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.797047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.797047 (E_RNA)
where:
Base-Base interactions energy: -163.401
where: short stacking energy: -76.240
Base-Backbone interact. energy: -0.386
local terms energy: -99.009619
where:
bonds (distance) C4'-P energy: -18.795
bonds (distance) P-C4' energy: -25.197
flat angles C4'-P-C4' energy: -20.155
flat angles P-C4'-P energy: -14.873
tors. eta vs tors. theta energy: -19.990
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -273.625253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.625253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.625253 (E_RNA)
where:
Base-Base interactions energy: -158.541
where: short stacking energy: -57.729
Base-Backbone interact. energy: -0.519
local terms energy: -78.564694
where:
bonds (distance) C4'-P energy: -17.989
bonds (distance) P-C4' energy: -21.576
flat angles C4'-P-C4' energy: -18.378
flat angles P-C4'-P energy: -12.865
tors. eta vs tors. theta energy: -7.757
Dist. restrs. and SS energy: -36.000 (S_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: 226
Temperature: 1.250000
Total energy: -291.038064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.038064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.038064 (E_RNA)
where:
Base-Base interactions energy: -166.808
where: short stacking energy: -60.094
Base-Backbone interact. energy: -0.726
local terms energy: -87.503948
where:
bonds (distance) C4'-P energy: -19.540
bonds (distance) P-C4' energy: -22.012
flat angles C4'-P-C4' energy: -22.550
flat angles P-C4'-P energy: -19.456
tors. eta vs tors. theta energy: -3.945
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -279.866393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.866393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.866393 (E_RNA)
where:
Base-Base interactions energy: -161.486
where: short stacking energy: -60.151
Base-Backbone interact. energy: 0.493
local terms energy: -82.874194
where:
bonds (distance) C4'-P energy: -15.970
bonds (distance) P-C4' energy: -25.207
flat angles C4'-P-C4' energy: -20.762
flat angles P-C4'-P energy: -10.671
tors. eta vs tors. theta energy: -10.265
Dist. restrs. and SS energy: -36.000 (S_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: 226
Temperature: 1.350000
Total energy: -253.793242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.793242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.793242 (E_RNA)
where:
Base-Base interactions energy: -139.895
where: short stacking energy: -65.406
Base-Backbone interact. energy: -0.074
local terms energy: -77.824033
where:
bonds (distance) C4'-P energy: -19.201
bonds (distance) P-C4' energy: -17.163
flat angles C4'-P-C4' energy: -18.927
flat angles P-C4'-P energy: -11.303
tors. eta vs tors. theta energy: -11.230
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -424.506308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.506308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.106308 (E_RNA)
where:
Base-Base interactions energy: -256.282
where: short stacking energy: -104.732
Base-Backbone interact. energy: -0.882
local terms energy: -116.942374
where:
bonds (distance) C4'-P energy: -20.694
bonds (distance) P-C4' energy: -26.194
flat angles C4'-P-C4' energy: -25.727
flat angles P-C4'-P energy: -18.366
tors. eta vs tors. theta energy: -25.962
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -408.176594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.176594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.576594 (E_RNA)
where:
Base-Base interactions energy: -250.275
where: short stacking energy: -99.982
Base-Backbone interact. energy: 0.071
local terms energy: -109.372973
where:
bonds (distance) C4'-P energy: -21.730
bonds (distance) P-C4' energy: -22.496
flat angles C4'-P-C4' energy: -22.686
flat angles P-C4'-P energy: -14.079
tors. eta vs tors. theta energy: -28.382
Dist. restrs. and SS energy: -48.600 (S_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: -400.840376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.840376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.240376 (E_RNA)
where:
Base-Base interactions energy: -245.746
where: short stacking energy: -93.856
Base-Backbone interact. energy: -0.362
local terms energy: -106.131873
where:
bonds (distance) C4'-P energy: -19.743
bonds (distance) P-C4' energy: -22.950
flat angles C4'-P-C4' energy: -24.106
flat angles P-C4'-P energy: -13.739
tors. eta vs tors. theta energy: -25.593
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -393.932446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.932446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.532446 (E_RNA)
where:
Base-Base interactions energy: -245.349
where: short stacking energy: -93.957
Base-Backbone interact. energy: 0.025
local terms energy: -98.208922
where:
bonds (distance) C4'-P energy: -11.724
bonds (distance) P-C4' energy: -25.462
flat angles C4'-P-C4' energy: -21.364
flat angles P-C4'-P energy: -15.188
tors. eta vs tors. theta energy: -24.471
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -350.744835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.744835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.344835 (E_RNA)
where:
Base-Base interactions energy: -206.370
where: short stacking energy: -86.644
Base-Backbone interact. energy: -1.213
local terms energy: -92.761843
where:
bonds (distance) C4'-P energy: -21.648
bonds (distance) P-C4' energy: -23.983
flat angles C4'-P-C4' energy: -17.905
flat angles P-C4'-P energy: -10.624
tors. eta vs tors. theta energy: -18.602
Dist. restrs. and SS energy: -50.400 (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: 6
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -294.521655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.521655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.321655 (E_RNA)
where:
Base-Base interactions energy: -162.433
where: short stacking energy: -66.625
Base-Backbone interact. energy: -0.303
local terms energy: -97.585407
where:
bonds (distance) C4'-P energy: -21.796
bonds (distance) P-C4' energy: -25.142
flat angles C4'-P-C4' energy: -20.707
flat angles P-C4'-P energy: -13.192
tors. eta vs tors. theta energy: -16.748
Dist. restrs. and SS energy: -34.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -275.432998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.432998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.432998 (E_RNA)
where:
Base-Base interactions energy: -153.390
where: short stacking energy: -72.070
Base-Backbone interact. energy: -0.033
local terms energy: -86.010366
where:
bonds (distance) C4'-P energy: -20.524
bonds (distance) P-C4' energy: -20.541
flat angles C4'-P-C4' energy: -16.725
flat angles P-C4'-P energy: -11.201
tors. eta vs tors. theta energy: -17.019
Dist. restrs. and SS energy: -36.000 (S_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: 227
Temperature: 1.250000
Total energy: -298.502360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.502360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.502360 (E_RNA)
where:
Base-Base interactions energy: -174.446
where: short stacking energy: -67.599
Base-Backbone interact. energy: -0.932
local terms energy: -87.124886
where:
bonds (distance) C4'-P energy: -20.115
bonds (distance) P-C4' energy: -17.138
flat angles C4'-P-C4' energy: -20.249
flat angles P-C4'-P energy: -15.768
tors. eta vs tors. theta energy: -13.855
Dist. restrs. and SS energy: -36.000 (S_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: 227
Temperature: 1.300000
Total energy: -282.288636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.288636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.288636 (E_RNA)
where:
Base-Base interactions energy: -156.734
where: short stacking energy: -66.136
Base-Backbone interact. energy: -0.175
local terms energy: -89.380231
where:
bonds (distance) C4'-P energy: -18.751
bonds (distance) P-C4' energy: -20.218
flat angles C4'-P-C4' energy: -17.934
flat angles P-C4'-P energy: -17.586
tors. eta vs tors. theta energy: -14.891
Dist. restrs. and SS energy: -36.000 (S_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: 227
Temperature: 1.350000
Total energy: -263.806842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.806842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.606842 (E_RNA)
where:
Base-Base interactions energy: -140.257
where: short stacking energy: -57.828
Base-Backbone interact. energy: -0.298
local terms energy: -89.052439
where:
bonds (distance) C4'-P energy: -26.908
bonds (distance) P-C4' energy: -16.830
flat angles C4'-P-C4' energy: -25.095
flat angles P-C4'-P energy: -2.575
tors. eta vs tors. theta energy: -17.643
Dist. restrs. and SS energy: -34.200 (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: 5
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -417.560853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.560853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.160853 (E_RNA)
where:
Base-Base interactions energy: -257.934
where: short stacking energy: -106.605
Base-Backbone interact. energy: -1.849
local terms energy: -107.377238
where:
bonds (distance) C4'-P energy: -19.469
bonds (distance) P-C4' energy: -21.228
flat angles C4'-P-C4' energy: -24.649
flat angles P-C4'-P energy: -14.109
tors. eta vs tors. theta energy: -27.922
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -419.600552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.600552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.200552 (E_RNA)
where:
Base-Base interactions energy: -257.544
where: short stacking energy: -98.166
Base-Backbone interact. energy: -1.314
local terms energy: -110.341968
where:
bonds (distance) C4'-P energy: -19.100
bonds (distance) P-C4' energy: -24.645
flat angles C4'-P-C4' energy: -22.683
flat angles P-C4'-P energy: -16.258
tors. eta vs tors. theta energy: -27.656
Dist. restrs. and SS energy: -50.400 (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: 228
Temperature: 1.000000
Total energy: -390.361067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.361067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.961067 (E_RNA)
where:
Base-Base interactions energy: -237.065
where: short stacking energy: -95.711
Base-Backbone interact. energy: -0.493
local terms energy: -102.403697
where:
bonds (distance) C4'-P energy: -24.864
bonds (distance) P-C4' energy: -22.233
flat angles C4'-P-C4' energy: -13.427
flat angles P-C4'-P energy: -15.179
tors. eta vs tors. theta energy: -26.700
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -386.741303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.741303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.141303 (E_RNA)
where:
Base-Base interactions energy: -240.786
where: short stacking energy: -95.266
Base-Backbone interact. energy: -0.264
local terms energy: -97.091340
where:
bonds (distance) C4'-P energy: -24.226
bonds (distance) P-C4' energy: -15.647
flat angles C4'-P-C4' energy: -21.153
flat angles P-C4'-P energy: -14.618
tors. eta vs tors. theta energy: -21.446
Dist. restrs. and SS energy: -48.600 (S_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: 228
Temperature: 1.100000
Total energy: -360.939152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.939152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.339152 (E_RNA)
where:
Base-Base interactions energy: -226.327
where: short stacking energy: -79.448
Base-Backbone interact. energy: 0.553
local terms energy: -86.565258
where:
bonds (distance) C4'-P energy: -15.653
bonds (distance) P-C4' energy: -21.001
flat angles C4'-P-C4' energy: -14.999
flat angles P-C4'-P energy: -15.329
tors. eta vs tors. theta energy: -19.582
Dist. restrs. and SS energy: -48.600 (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: 6
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -301.325004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.325004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.325004 (E_RNA)
where:
Base-Base interactions energy: -162.995
where: short stacking energy: -81.744
Base-Backbone interact. energy: -0.248
local terms energy: -102.081486
where:
bonds (distance) C4'-P energy: -21.564
bonds (distance) P-C4' energy: -20.937
flat angles C4'-P-C4' energy: -23.111
flat angles P-C4'-P energy: -16.003
tors. eta vs tors. theta energy: -20.467
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -299.039026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.039026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.839026 (E_RNA)
where:
Base-Base interactions energy: -174.868
where: short stacking energy: -70.602
Base-Backbone interact. energy: -0.252
local terms energy: -89.718981
where:
bonds (distance) C4'-P energy: -22.609
bonds (distance) P-C4' energy: -17.219
flat angles C4'-P-C4' energy: -18.886
flat angles P-C4'-P energy: -12.112
tors. eta vs tors. theta energy: -18.893
Dist. restrs. and SS energy: -34.200 (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: 2
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -277.559634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.559634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.159634 (E_RNA)
where:
Base-Base interactions energy: -149.209
where: short stacking energy: -72.906
Base-Backbone interact. energy: -0.116
local terms energy: -95.833775
where:
bonds (distance) C4'-P energy: -20.563
bonds (distance) P-C4' energy: -22.366
flat angles C4'-P-C4' energy: -22.616
flat angles P-C4'-P energy: -13.003
tors. eta vs tors. theta energy: -17.287
Dist. restrs. and SS energy: -32.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -276.779263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.779263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.579263 (E_RNA)
where:
Base-Base interactions energy: -154.347
where: short stacking energy: -71.722
Base-Backbone interact. energy: -0.060
local terms energy: -88.171721
where:
bonds (distance) C4'-P energy: -20.985
bonds (distance) P-C4' energy: -20.973
flat angles C4'-P-C4' energy: -18.920
flat angles P-C4'-P energy: -12.039
tors. eta vs tors. theta energy: -15.255
Dist. restrs. and SS energy: -34.200 (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: 228
Temperature: 1.350000
Total energy: -285.020259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.020259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.620259 (E_RNA)
where:
Base-Base interactions energy: -165.263
where: short stacking energy: -71.206
Base-Backbone interact. energy: -0.509
local terms energy: -86.847632
where:
bonds (distance) C4'-P energy: -15.303
bonds (distance) P-C4' energy: -20.678
flat angles C4'-P-C4' energy: -20.723
flat angles P-C4'-P energy: -10.749
tors. eta vs tors. theta energy: -19.394
Dist. restrs. and SS energy: -32.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -424.140417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.140417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.740417 (E_RNA)
where:
Base-Base interactions energy: -262.526
where: short stacking energy: -108.095
Base-Backbone interact. energy: -1.057
local terms energy: -110.158180
where:
bonds (distance) C4'-P energy: -23.139
bonds (distance) P-C4' energy: -18.081
flat angles C4'-P-C4' energy: -24.650
flat angles P-C4'-P energy: -15.949
tors. eta vs tors. theta energy: -28.339
Dist. restrs. and SS energy: -50.400 (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: 8
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -403.657887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.657887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.257887 (E_RNA)
where:
Base-Base interactions energy: -242.830
where: short stacking energy: -97.763
Base-Backbone interact. energy: -0.400
local terms energy: -110.028737
where:
bonds (distance) C4'-P energy: -17.987
bonds (distance) P-C4' energy: -21.134
flat angles C4'-P-C4' energy: -25.062
flat angles P-C4'-P energy: -19.059
tors. eta vs tors. theta energy: -26.787
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -406.859133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.859133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.259133 (E_RNA)
where:
Base-Base interactions energy: -250.460
where: short stacking energy: -97.974
Base-Backbone interact. energy: -1.076
local terms energy: -106.723201
where:
bonds (distance) C4'-P energy: -18.663
bonds (distance) P-C4' energy: -25.828
flat angles C4'-P-C4' energy: -20.678
flat angles P-C4'-P energy: -13.389
tors. eta vs tors. theta energy: -28.166
Dist. restrs. and SS energy: -48.600 (S_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: 229
Temperature: 1.050000
Total energy: -367.957689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.957689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.557689 (E_RNA)
where:
Base-Base interactions energy: -218.665
where: short stacking energy: -78.427
Base-Backbone interact. energy: -0.335
local terms energy: -98.557092
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -26.233
flat angles C4'-P-C4' energy: -24.936
flat angles P-C4'-P energy: -18.953
tors. eta vs tors. theta energy: -12.299
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -368.360890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.360890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.760890 (E_RNA)
where:
Base-Base interactions energy: -216.001
where: short stacking energy: -80.961
Base-Backbone interact. energy: -2.872
local terms energy: -100.888047
where:
bonds (distance) C4'-P energy: -15.970
bonds (distance) P-C4' energy: -19.330
flat angles C4'-P-C4' energy: -24.984
flat angles P-C4'-P energy: -18.827
tors. eta vs tors. theta energy: -21.777
Dist. restrs. and SS energy: -48.600 (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: 9
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -296.480460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.480460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.280460 (E_RNA)
where:
Base-Base interactions energy: -166.822
where: short stacking energy: -78.803
Base-Backbone interact. energy: -0.226
local terms energy: -95.232033
where:
bonds (distance) C4'-P energy: -17.913
bonds (distance) P-C4' energy: -22.897
flat angles C4'-P-C4' energy: -21.087
flat angles P-C4'-P energy: -11.180
tors. eta vs tors. theta energy: -22.155
Dist. restrs. and SS energy: -34.200 (S_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: 229
Temperature: 1.200000
Total energy: -293.687874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.687874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.287874 (E_RNA)
where:
Base-Base interactions energy: -170.773
where: short stacking energy: -72.596
Base-Backbone interact. energy: -0.398
local terms energy: -90.116460
where:
bonds (distance) C4'-P energy: -15.883
bonds (distance) P-C4' energy: -19.317
flat angles C4'-P-C4' energy: -19.250
flat angles P-C4'-P energy: -15.899
tors. eta vs tors. theta energy: -19.768
Dist. restrs. and SS energy: -32.400 (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: 2
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -289.566469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.566469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.566469 (E_RNA)
where:
Base-Base interactions energy: -164.560
where: short stacking energy: -76.626
Base-Backbone interact. energy: 0.239
local terms energy: -89.246176
where:
bonds (distance) C4'-P energy: -19.634
bonds (distance) P-C4' energy: -18.950
flat angles C4'-P-C4' energy: -15.359
flat angles P-C4'-P energy: -12.987
tors. eta vs tors. theta energy: -22.316
Dist. restrs. and SS energy: -36.000 (S_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: 229
Temperature: 1.300000
Total energy: -262.193889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.193889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.193889 (E_RNA)
where:
Base-Base interactions energy: -151.123
where: short stacking energy: -64.862
Base-Backbone interact. energy: -0.213
local terms energy: -74.857424
where:
bonds (distance) C4'-P energy: -21.192
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -17.498
flat angles P-C4'-P energy: -8.139
tors. eta vs tors. theta energy: -12.033
Dist. restrs. and SS energy: -36.000 (S_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: 229
Temperature: 1.350000
Total energy: -265.736772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.736772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.736772 (E_RNA)
where:
Base-Base interactions energy: -150.018
where: short stacking energy: -70.200
Base-Backbone interact. energy: -0.088
local terms energy: -79.630550
where:
bonds (distance) C4'-P energy: -17.464
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -17.250
flat angles P-C4'-P energy: -10.898
tors. eta vs tors. theta energy: -17.451
Dist. restrs. and SS energy: -36.000 (S_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: 230
Temperature: 0.900000
Total energy: -416.605938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.605938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.005938 (E_RNA)
where:
Base-Base interactions energy: -254.669
where: short stacking energy: -93.030
Base-Backbone interact. energy: -2.005
local terms energy: -111.331387
where:
bonds (distance) C4'-P energy: -20.748
bonds (distance) P-C4' energy: -20.675
flat angles C4'-P-C4' energy: -23.366
flat angles P-C4'-P energy: -17.553
tors. eta vs tors. theta energy: -28.989
Dist. restrs. and SS energy: -48.600 (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: 5
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -419.692860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.692860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.092860 (E_RNA)
where:
Base-Base interactions energy: -249.591
where: short stacking energy: -95.179
Base-Backbone interact. energy: -1.269
local terms energy: -120.232931
where:
bonds (distance) C4'-P energy: -26.396
bonds (distance) P-C4' energy: -23.637
flat angles C4'-P-C4' energy: -20.942
flat angles P-C4'-P energy: -19.423
tors. eta vs tors. theta energy: -29.836
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -364.126104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.126104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.526104 (E_RNA)
where:
Base-Base interactions energy: -206.936
where: short stacking energy: -70.910
Base-Backbone interact. energy: -0.642
local terms energy: -107.948315
where:
bonds (distance) C4'-P energy: -24.531
bonds (distance) P-C4' energy: -23.689
flat angles C4'-P-C4' energy: -24.554
flat angles P-C4'-P energy: -17.396
tors. eta vs tors. theta energy: -17.777
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -400.416893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.416893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.016893 (E_RNA)
where:
Base-Base interactions energy: -243.755
where: short stacking energy: -90.631
Base-Backbone interact. energy: -1.083
local terms energy: -105.179043
where:
bonds (distance) C4'-P energy: -18.044
bonds (distance) P-C4' energy: -25.082
flat angles C4'-P-C4' energy: -18.749
flat angles P-C4'-P energy: -18.169
tors. eta vs tors. theta energy: -25.134
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -365.526885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.526885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.126885 (E_RNA)
where:
Base-Base interactions energy: -220.133
where: short stacking energy: -70.648
Base-Backbone interact. energy: 0.696
local terms energy: -95.690101
where:
bonds (distance) C4'-P energy: -20.448
bonds (distance) P-C4' energy: -22.499
flat angles C4'-P-C4' energy: -19.235
flat angles P-C4'-P energy: -18.821
tors. eta vs tors. theta energy: -14.687
Dist. restrs. and SS energy: -50.400 (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: 9
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -266.793539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.793539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.793539 (E_RNA)
where:
Base-Base interactions energy: -144.627
where: short stacking energy: -68.563
Base-Backbone interact. energy: -0.021
local terms energy: -86.145252
where:
bonds (distance) C4'-P energy: -20.374
bonds (distance) P-C4' energy: -22.509
flat angles C4'-P-C4' energy: -12.829
flat angles P-C4'-P energy: -13.155
tors. eta vs tors. theta energy: -17.278
Dist. restrs. and SS energy: -36.000 (S_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: 230
Temperature: 1.200000
Total energy: -344.982540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.982540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.982540 (E_RNA)
where:
Base-Base interactions energy: -218.073
where: short stacking energy: -80.643
Base-Backbone interact. energy: 0.699
local terms energy: -91.608472
where:
bonds (distance) C4'-P energy: -21.052
bonds (distance) P-C4' energy: -17.969
flat angles C4'-P-C4' energy: -19.357
flat angles P-C4'-P energy: -10.895
tors. eta vs tors. theta energy: -22.335
Dist. restrs. and SS energy: -36.000 (S_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: 230
Temperature: 1.250000
Total energy: -277.513518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.513518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.513518 (E_RNA)
where:
Base-Base interactions energy: -152.684
where: short stacking energy: -61.282
Base-Backbone interact. energy: -1.431
local terms energy: -87.399009
where:
bonds (distance) C4'-P energy: -20.787
bonds (distance) P-C4' energy: -19.077
flat angles C4'-P-C4' energy: -21.766
flat angles P-C4'-P energy: -12.562
tors. eta vs tors. theta energy: -13.208
Dist. restrs. and SS energy: -36.000 (S_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: 230
Temperature: 1.300000
Total energy: -273.334800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.334800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.934800 (E_RNA)
where:
Base-Base interactions energy: -154.799
where: short stacking energy: -67.997
Base-Backbone interact. energy: 0.029
local terms energy: -86.165023
where:
bonds (distance) C4'-P energy: -18.529
bonds (distance) P-C4' energy: -19.462
flat angles C4'-P-C4' energy: -22.852
flat angles P-C4'-P energy: -12.038
tors. eta vs tors. theta energy: -13.284
Dist. restrs. and SS energy: -32.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -268.892712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.892712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.892712 (E_RNA)
where:
Base-Base interactions energy: -133.318
where: short stacking energy: -63.074
Base-Backbone interact. energy: -0.182
local terms energy: -99.393156
where:
bonds (distance) C4'-P energy: -26.350
bonds (distance) P-C4' energy: -20.640
flat angles C4'-P-C4' energy: -24.156
flat angles P-C4'-P energy: -14.535
tors. eta vs tors. theta energy: -13.712
Dist. restrs. and SS energy: -36.000 (S_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: 231
Temperature: 0.900000
Total energy: -428.679287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.679287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.079287 (E_RNA)
where:
Base-Base interactions energy: -264.974
where: short stacking energy: -104.320
Base-Backbone interact. energy: -0.809
local terms energy: -114.295723
where:
bonds (distance) C4'-P energy: -24.210
bonds (distance) P-C4' energy: -22.630
flat angles C4'-P-C4' energy: -21.272
flat angles P-C4'-P energy: -17.295
tors. eta vs tors. theta energy: -28.888
Dist. restrs. and SS energy: -48.600 (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: 5
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -429.465321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.465321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.065321 (E_RNA)
where:
Base-Base interactions energy: -268.156
where: short stacking energy: -108.133
Base-Backbone interact. energy: -1.377
local terms energy: -109.532473
where:
bonds (distance) C4'-P energy: -17.785
bonds (distance) P-C4' energy: -27.901
flat angles C4'-P-C4' energy: -22.639
flat angles P-C4'-P energy: -14.626
tors. eta vs tors. theta energy: -26.582
Dist. restrs. and SS energy: -50.400 (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: 3
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -356.104003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.104003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.504003 (E_RNA)
where:
Base-Base interactions energy: -211.841
where: short stacking energy: -92.919
Base-Backbone interact. energy: -0.571
local terms energy: -95.092891
where:
bonds (distance) C4'-P energy: -20.041
bonds (distance) P-C4' energy: -26.118
flat angles C4'-P-C4' energy: -15.565
flat angles P-C4'-P energy: -10.425
tors. eta vs tors. theta energy: -22.944
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -387.686483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.686483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.286483 (E_RNA)
where:
Base-Base interactions energy: -236.834
where: short stacking energy: -91.057
Base-Backbone interact. energy: -1.107
local terms energy: -99.345559
where:
bonds (distance) C4'-P energy: -14.778
bonds (distance) P-C4' energy: -24.502
flat angles C4'-P-C4' energy: -22.509
flat angles P-C4'-P energy: -13.179
tors. eta vs tors. theta energy: -24.377
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -359.639461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.639461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.239461 (E_RNA)
where:
Base-Base interactions energy: -211.904
where: short stacking energy: -75.296
Base-Backbone interact. energy: -1.564
local terms energy: -95.771973
where:
bonds (distance) C4'-P energy: -18.941
bonds (distance) P-C4' energy: -22.733
flat angles C4'-P-C4' energy: -22.115
flat angles P-C4'-P energy: -14.692
tors. eta vs tors. theta energy: -17.291
Dist. restrs. and SS energy: -50.400 (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: 231
Temperature: 1.150000
Total energy: -291.693651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.693651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.493651 (E_RNA)
where:
Base-Base interactions energy: -162.387
where: short stacking energy: -73.058
Base-Backbone interact. energy: -0.246
local terms energy: -94.860001
where:
bonds (distance) C4'-P energy: -22.604
bonds (distance) P-C4' energy: -22.093
flat angles C4'-P-C4' energy: -23.721
flat angles P-C4'-P energy: -11.025
tors. eta vs tors. theta energy: -15.417
Dist. restrs. and SS energy: -34.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -262.136144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.136144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.136144 (E_RNA)
where:
Base-Base interactions energy: -145.636
where: short stacking energy: -63.518
Base-Backbone interact. energy: -0.117
local terms energy: -80.382781
where:
bonds (distance) C4'-P energy: -24.103
bonds (distance) P-C4' energy: -12.087
flat angles C4'-P-C4' energy: -14.033
flat angles P-C4'-P energy: -15.820
tors. eta vs tors. theta energy: -14.341
Dist. restrs. and SS energy: -36.000 (S_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: 231
Temperature: 1.250000
Total energy: -275.597653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.597653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.597653 (E_RNA)
where:
Base-Base interactions energy: -162.391
where: short stacking energy: -74.791
Base-Backbone interact. energy: -0.188
local terms energy: -77.018265
where:
bonds (distance) C4'-P energy: -16.857
bonds (distance) P-C4' energy: -10.223
flat angles C4'-P-C4' energy: -21.855
flat angles P-C4'-P energy: -16.711
tors. eta vs tors. theta energy: -11.372
Dist. restrs. and SS energy: -36.000 (S_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: 231
Temperature: 1.300000
Total energy: -268.158500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.158500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.158500 (E_RNA)
where:
Base-Base interactions energy: -150.878
where: short stacking energy: -59.346
Base-Backbone interact. energy: -0.282
local terms energy: -80.998493
where:
bonds (distance) C4'-P energy: -18.465
bonds (distance) P-C4' energy: -25.755
flat angles C4'-P-C4' energy: -14.191
flat angles P-C4'-P energy: -6.841
tors. eta vs tors. theta energy: -15.747
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -255.796840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.796840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.796840 (E_RNA)
where:
Base-Base interactions energy: -143.277
where: short stacking energy: -70.313
Base-Backbone interact. energy: -0.268
local terms energy: -76.252338
where:
bonds (distance) C4'-P energy: -19.481
bonds (distance) P-C4' energy: -20.013
flat angles C4'-P-C4' energy: -18.442
flat angles P-C4'-P energy: -11.710
tors. eta vs tors. theta energy: -6.606
Dist. restrs. and SS energy: -36.000 (S_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: 232
Temperature: 0.900000
Total energy: -416.865245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.865245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.265245 (E_RNA)
where:
Base-Base interactions energy: -258.983
where: short stacking energy: -104.193
Base-Backbone interact. energy: -0.691
local terms energy: -108.591338
where:
bonds (distance) C4'-P energy: -23.368
bonds (distance) P-C4' energy: -20.583
flat angles C4'-P-C4' energy: -22.345
flat angles P-C4'-P energy: -14.629
tors. eta vs tors. theta energy: -27.666
Dist. restrs. and SS energy: -48.600 (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: 5
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -431.785783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.785783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.385783 (E_RNA)
where:
Base-Base interactions energy: -260.886
where: short stacking energy: -102.571
Base-Backbone interact. energy: 1.876
local terms energy: -122.375222
where:
bonds (distance) C4'-P energy: -24.657
bonds (distance) P-C4' energy: -26.557
flat angles C4'-P-C4' energy: -24.175
flat angles P-C4'-P energy: -21.114
tors. eta vs tors. theta energy: -25.872
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -400.122451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.122451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.722451 (E_RNA)
where:
Base-Base interactions energy: -242.845
where: short stacking energy: -96.735
Base-Backbone interact. energy: 0.513
local terms energy: -107.391307
where:
bonds (distance) C4'-P energy: -20.706
bonds (distance) P-C4' energy: -24.538
flat angles C4'-P-C4' energy: -24.662
flat angles P-C4'-P energy: -9.852
tors. eta vs tors. theta energy: -27.634
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -342.255759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.255759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.855759 (E_RNA)
where:
Base-Base interactions energy: -199.762
where: short stacking energy: -79.571
Base-Backbone interact. energy: -0.133
local terms energy: -91.960663
where:
bonds (distance) C4'-P energy: -23.108
bonds (distance) P-C4' energy: -16.310
flat angles C4'-P-C4' energy: -20.901
flat angles P-C4'-P energy: -15.515
tors. eta vs tors. theta energy: -16.127
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -379.883051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.883051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.483051 (E_RNA)
where:
Base-Base interactions energy: -229.958
where: short stacking energy: -89.487
Base-Backbone interact. energy: -1.010
local terms energy: -98.514681
where:
bonds (distance) C4'-P energy: -19.072
bonds (distance) P-C4' energy: -23.166
flat angles C4'-P-C4' energy: -24.811
flat angles P-C4'-P energy: -12.029
tors. eta vs tors. theta energy: -19.437
Dist. restrs. and SS energy: -50.400 (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: 232
Temperature: 1.150000
Total energy: -310.990793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.990793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.990793 (E_RNA)
where:
Base-Base interactions energy: -176.714
where: short stacking energy: -93.566
Base-Backbone interact. energy: -0.396
local terms energy: -97.880625
where:
bonds (distance) C4'-P energy: -11.790
bonds (distance) P-C4' energy: -15.113
flat angles C4'-P-C4' energy: -25.076
flat angles P-C4'-P energy: -14.946
tors. eta vs tors. theta energy: -30.956
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -273.018681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.018681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.018681 (E_RNA)
where:
Base-Base interactions energy: -153.452
where: short stacking energy: -77.808
Base-Backbone interact. energy: -0.176
local terms energy: -83.390964
where:
bonds (distance) C4'-P energy: -19.125
bonds (distance) P-C4' energy: -18.177
flat angles C4'-P-C4' energy: -17.286
flat angles P-C4'-P energy: -15.775
tors. eta vs tors. theta energy: -13.028
Dist. restrs. and SS energy: -36.000 (S_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: 232
Temperature: 1.250000
Total energy: -282.425364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.425364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.425364 (E_RNA)
where:
Base-Base interactions energy: -154.069
where: short stacking energy: -69.868
Base-Backbone interact. energy: -0.812
local terms energy: -91.544573
where:
bonds (distance) C4'-P energy: -16.949
bonds (distance) P-C4' energy: -22.848
flat angles C4'-P-C4' energy: -17.593
flat angles P-C4'-P energy: -17.094
tors. eta vs tors. theta energy: -17.060
Dist. restrs. and SS energy: -36.000 (S_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: 232
Temperature: 1.300000
Total energy: -265.130758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.130758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.130758 (E_RNA)
where:
Base-Base interactions energy: -135.726
where: short stacking energy: -63.328
Base-Backbone interact. energy: -0.072
local terms energy: -93.332491
where:
bonds (distance) C4'-P energy: -22.527
bonds (distance) P-C4' energy: -23.571
flat angles C4'-P-C4' energy: -17.583
flat angles P-C4'-P energy: -18.452
tors. eta vs tors. theta energy: -11.198
Dist. restrs. and SS energy: -36.000 (S_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: 232
Temperature: 1.350000
Total energy: -257.142361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.142361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.742361 (E_RNA)
where:
Base-Base interactions energy: -138.892
where: short stacking energy: -64.297
Base-Backbone interact. energy: 1.066
local terms energy: -86.916492
where:
bonds (distance) C4'-P energy: -19.900
bonds (distance) P-C4' energy: -23.304
flat angles C4'-P-C4' energy: -19.650
flat angles P-C4'-P energy: -9.790
tors. eta vs tors. theta energy: -14.272
Dist. restrs. and SS energy: -32.400 (S_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: 233
Temperature: 0.900000
Total energy: -415.176768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.176768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.776768 (E_RNA)
where:
Base-Base interactions energy: -247.487
where: short stacking energy: -109.232
Base-Backbone interact. energy: -1.430
local terms energy: -115.859923
where:
bonds (distance) C4'-P energy: -16.712
bonds (distance) P-C4' energy: -25.247
flat angles C4'-P-C4' energy: -23.341
flat angles P-C4'-P energy: -20.388
tors. eta vs tors. theta energy: -30.173
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -418.094275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.094275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.694275 (E_RNA)
where:
Base-Base interactions energy: -263.062
where: short stacking energy: -103.354
Base-Backbone interact. energy: 0.027
local terms energy: -104.659389
where:
bonds (distance) C4'-P energy: -20.066
bonds (distance) P-C4' energy: -19.524
flat angles C4'-P-C4' energy: -22.720
flat angles P-C4'-P energy: -16.912
tors. eta vs tors. theta energy: -25.437
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -406.072870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.072870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.672870 (E_RNA)
where:
Base-Base interactions energy: -247.170
where: short stacking energy: -85.423
Base-Backbone interact. energy: -1.854
local terms energy: -106.649323
where:
bonds (distance) C4'-P energy: -17.268
bonds (distance) P-C4' energy: -23.456
flat angles C4'-P-C4' energy: -26.492
flat angles P-C4'-P energy: -12.064
tors. eta vs tors. theta energy: -27.369
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -371.022928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.022928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.422928 (E_RNA)
where:
Base-Base interactions energy: -229.583
where: short stacking energy: -93.960
Base-Backbone interact. energy: -1.157
local terms energy: -91.682555
where:
bonds (distance) C4'-P energy: -15.786
bonds (distance) P-C4' energy: -20.171
flat angles C4'-P-C4' energy: -21.495
flat angles P-C4'-P energy: -13.085
tors. eta vs tors. theta energy: -21.146
Dist. restrs. and SS energy: -48.600 (S_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: 233
Temperature: 1.100000
Total energy: -343.257544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.257544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.857544 (E_RNA)
where:
Base-Base interactions energy: -183.041
where: short stacking energy: -73.811
Base-Backbone interact. energy: -0.825
local terms energy: -108.990717
where:
bonds (distance) C4'-P energy: -23.718
bonds (distance) P-C4' energy: -24.115
flat angles C4'-P-C4' energy: -25.261
flat angles P-C4'-P energy: -16.745
tors. eta vs tors. theta energy: -19.152
Dist. restrs. and SS energy: -50.400 (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: 233
Temperature: 1.150000
Total energy: -302.686133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.686133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.686133 (E_RNA)
where:
Base-Base interactions energy: -167.204
where: short stacking energy: -80.417
Base-Backbone interact. energy: -0.272
local terms energy: -99.210085
where:
bonds (distance) C4'-P energy: -14.962
bonds (distance) P-C4' energy: -23.007
flat angles C4'-P-C4' energy: -21.458
flat angles P-C4'-P energy: -17.165
tors. eta vs tors. theta energy: -22.618
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -267.305799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.305799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.305799 (E_RNA)
where:
Base-Base interactions energy: -137.511
where: short stacking energy: -75.430
Base-Backbone interact. energy: -0.109
local terms energy: -93.686596
where:
bonds (distance) C4'-P energy: -25.169
bonds (distance) P-C4' energy: -21.192
flat angles C4'-P-C4' energy: -20.151
flat angles P-C4'-P energy: -13.721
tors. eta vs tors. theta energy: -13.453
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -272.888257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.888257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.888257 (E_RNA)
where:
Base-Base interactions energy: -148.872
where: short stacking energy: -68.739
Base-Backbone interact. energy: -0.032
local terms energy: -87.984445
where:
bonds (distance) C4'-P energy: -18.906
bonds (distance) P-C4' energy: -22.327
flat angles C4'-P-C4' energy: -18.946
flat angles P-C4'-P energy: -12.759
tors. eta vs tors. theta energy: -15.047
Dist. restrs. and SS energy: -36.000 (S_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: 233
Temperature: 1.300000
Total energy: -273.071919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.071919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.071919 (E_RNA)
where:
Base-Base interactions energy: -158.120
where: short stacking energy: -64.097
Base-Backbone interact. energy: -0.242
local terms energy: -78.709876
where:
bonds (distance) C4'-P energy: -14.332
bonds (distance) P-C4' energy: -20.897
flat angles C4'-P-C4' energy: -23.485
flat angles P-C4'-P energy: -5.460
tors. eta vs tors. theta energy: -14.535
Dist. restrs. and SS energy: -36.000 (S_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: 233
Temperature: 1.350000
Total energy: -282.641286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.641286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.641286 (E_RNA)
where:
Base-Base interactions energy: -156.586
where: short stacking energy: -69.818
Base-Backbone interact. energy: -0.245
local terms energy: -89.810644
where:
bonds (distance) C4'-P energy: -18.710
bonds (distance) P-C4' energy: -24.796
flat angles C4'-P-C4' energy: -16.583
flat angles P-C4'-P energy: -14.962
tors. eta vs tors. theta energy: -14.759
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -417.304469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.304469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.904469 (E_RNA)
where:
Base-Base interactions energy: -257.585
where: short stacking energy: -105.944
Base-Backbone interact. energy: -1.421
local terms energy: -107.898235
where:
bonds (distance) C4'-P energy: -23.333
bonds (distance) P-C4' energy: -23.850
flat angles C4'-P-C4' energy: -21.097
flat angles P-C4'-P energy: -11.826
tors. eta vs tors. theta energy: -27.792
Dist. restrs. and SS energy: -50.400 (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: 8
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -403.923440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.923440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.323440 (E_RNA)
where:
Base-Base interactions energy: -247.678
where: short stacking energy: -103.462
Base-Backbone interact. energy: -0.403
local terms energy: -107.242469
where:
bonds (distance) C4'-P energy: -22.591
bonds (distance) P-C4' energy: -15.989
flat angles C4'-P-C4' energy: -25.889
flat angles P-C4'-P energy: -14.797
tors. eta vs tors. theta energy: -27.976
Dist. restrs. and SS energy: -48.600 (S_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: -394.685789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.685789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.285789 (E_RNA)
where:
Base-Base interactions energy: -251.378
where: short stacking energy: -88.564
Base-Backbone interact. energy: -0.682
local terms energy: -92.225898
where:
bonds (distance) C4'-P energy: -20.518
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -19.049
flat angles P-C4'-P energy: -13.367
tors. eta vs tors. theta energy: -22.005
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -378.773781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.773781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.373781 (E_RNA)
where:
Base-Base interactions energy: -217.505
where: short stacking energy: -87.688
Base-Backbone interact. energy: -3.317
local terms energy: -107.552140
where:
bonds (distance) C4'-P energy: -19.957
bonds (distance) P-C4' energy: -23.376
flat angles C4'-P-C4' energy: -23.225
flat angles P-C4'-P energy: -17.068
tors. eta vs tors. theta energy: -23.926
Dist. restrs. and SS energy: -50.400 (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: 234
Temperature: 1.100000
Total energy: -314.669178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.669178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.669178 (E_RNA)
where:
Base-Base interactions energy: -180.112
where: short stacking energy: -86.313
Base-Backbone interact. energy: 2.480
local terms energy: -101.037348
where:
bonds (distance) C4'-P energy: -21.199
bonds (distance) P-C4' energy: -20.938
flat angles C4'-P-C4' energy: -19.036
flat angles P-C4'-P energy: -18.971
tors. eta vs tors. theta energy: -20.892
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -315.171061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.171061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.771061 (E_RNA)
where:
Base-Base interactions energy: -175.456
where: short stacking energy: -64.936
Base-Backbone interact. energy: -1.989
local terms energy: -87.325905
where:
bonds (distance) C4'-P energy: -20.881
bonds (distance) P-C4' energy: -22.232
flat angles C4'-P-C4' energy: -20.603
flat angles P-C4'-P energy: -11.312
tors. eta vs tors. theta energy: -12.298
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -280.703720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.703720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.703720 (E_RNA)
where:
Base-Base interactions energy: -157.689
where: short stacking energy: -69.790
Base-Backbone interact. energy: -0.044
local terms energy: -86.971066
where:
bonds (distance) C4'-P energy: -18.831
bonds (distance) P-C4' energy: -19.830
flat angles C4'-P-C4' energy: -18.693
flat angles P-C4'-P energy: -11.963
tors. eta vs tors. theta energy: -17.654
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -273.344301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.344301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.344301 (E_RNA)
where:
Base-Base interactions energy: -140.552
where: short stacking energy: -56.446
Base-Backbone interact. energy: -0.480
local terms energy: -96.312711
where:
bonds (distance) C4'-P energy: -21.965
bonds (distance) P-C4' energy: -21.968
flat angles C4'-P-C4' energy: -22.039
flat angles P-C4'-P energy: -14.213
tors. eta vs tors. theta energy: -16.128
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -268.782750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.782750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.782750 (E_RNA)
where:
Base-Base interactions energy: -142.851
where: short stacking energy: -75.292
Base-Backbone interact. energy: -0.242
local terms energy: -89.690078
where:
bonds (distance) C4'-P energy: -18.628
bonds (distance) P-C4' energy: -24.098
flat angles C4'-P-C4' energy: -19.387
flat angles P-C4'-P energy: -12.419
tors. eta vs tors. theta energy: -15.159
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -255.310661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.310661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.310661 (E_RNA)
where:
Base-Base interactions energy: -140.845
where: short stacking energy: -63.148
Base-Backbone interact. energy: 2.304
local terms energy: -80.768897
where:
bonds (distance) C4'-P energy: -19.548
bonds (distance) P-C4' energy: -20.108
flat angles C4'-P-C4' energy: -23.440
flat angles P-C4'-P energy: -8.696
tors. eta vs tors. theta energy: -8.976
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -428.216820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.216820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.816820 (E_RNA)
where:
Base-Base interactions energy: -267.599
where: short stacking energy: -100.055
Base-Backbone interact. energy: -0.610
local terms energy: -109.607321
where:
bonds (distance) C4'-P energy: -23.807
bonds (distance) P-C4' energy: -22.150
flat angles C4'-P-C4' energy: -22.152
flat angles P-C4'-P energy: -15.514
tors. eta vs tors. theta energy: -25.985
Dist. restrs. and SS energy: -50.400 (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: 8
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -416.898599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.898599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.498599 (E_RNA)
where:
Base-Base interactions energy: -253.627
where: short stacking energy: -99.233
Base-Backbone interact. energy: -2.021
local terms energy: -110.850434
where:
bonds (distance) C4'-P energy: -22.384
bonds (distance) P-C4' energy: -24.161
flat angles C4'-P-C4' energy: -23.837
flat angles P-C4'-P energy: -13.419
tors. eta vs tors. theta energy: -27.048
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -400.080109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.080109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.480109 (E_RNA)
where:
Base-Base interactions energy: -243.376
where: short stacking energy: -90.337
Base-Backbone interact. energy: -0.883
local terms energy: -107.221216
where:
bonds (distance) C4'-P energy: -21.084
bonds (distance) P-C4' energy: -22.493
flat angles C4'-P-C4' energy: -26.522
flat angles P-C4'-P energy: -15.901
tors. eta vs tors. theta energy: -21.220
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -391.388981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.388981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.788981 (E_RNA)
where:
Base-Base interactions energy: -229.130
where: short stacking energy: -89.819
Base-Backbone interact. energy: -0.860
local terms energy: -112.799427
where:
bonds (distance) C4'-P energy: -22.206
bonds (distance) P-C4' energy: -19.266
flat angles C4'-P-C4' energy: -25.280
flat angles P-C4'-P energy: -19.119
tors. eta vs tors. theta energy: -26.929
Dist. restrs. and SS energy: -48.600 (S_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: -300.012170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.012170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.012170 (E_RNA)
where:
Base-Base interactions energy: -161.155
where: short stacking energy: -77.682
Base-Backbone interact. energy: -0.176
local terms energy: -102.680560
where:
bonds (distance) C4'-P energy: -23.805
bonds (distance) P-C4' energy: -24.111
flat angles C4'-P-C4' energy: -20.641
flat angles P-C4'-P energy: -16.694
tors. eta vs tors. theta energy: -17.429
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -336.622274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.622274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.222274 (E_RNA)
where:
Base-Base interactions energy: -206.966
where: short stacking energy: -71.703
Base-Backbone interact. energy: -0.769
local terms energy: -78.487179
where:
bonds (distance) C4'-P energy: -16.231
bonds (distance) P-C4' energy: -22.237
flat angles C4'-P-C4' energy: -13.656
flat angles P-C4'-P energy: -11.603
tors. eta vs tors. theta energy: -14.760
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -288.011874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.011874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.011874 (E_RNA)
where:
Base-Base interactions energy: -162.949
where: short stacking energy: -67.627
Base-Backbone interact. energy: -0.332
local terms energy: -88.730569
where:
bonds (distance) C4'-P energy: -18.666
bonds (distance) P-C4' energy: -20.350
flat angles C4'-P-C4' energy: -18.616
flat angles P-C4'-P energy: -14.620
tors. eta vs tors. theta energy: -16.478
Dist. restrs. and SS energy: -36.000 (S_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: 235
Temperature: 1.250000
Total energy: -289.249728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.249728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.249728 (E_RNA)
where:
Base-Base interactions energy: -170.848
where: short stacking energy: -71.671
Base-Backbone interact. energy: -0.324
local terms energy: -82.077808
where:
bonds (distance) C4'-P energy: -16.135
bonds (distance) P-C4' energy: -23.296
flat angles C4'-P-C4' energy: -14.702
flat angles P-C4'-P energy: -9.510
tors. eta vs tors. theta energy: -18.434
Dist. restrs. and SS energy: -36.000 (S_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: 235
Temperature: 1.300000
Total energy: -274.099800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.099800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.899800 (E_RNA)
where:
Base-Base interactions energy: -150.868
where: short stacking energy: -59.788
Base-Backbone interact. energy: 0.444
local terms energy: -89.475918
where:
bonds (distance) C4'-P energy: -19.362
bonds (distance) P-C4' energy: -27.397
flat angles C4'-P-C4' energy: -20.387
flat angles P-C4'-P energy: -5.893
tors. eta vs tors. theta energy: -16.437
Dist. restrs. and SS energy: -34.200 (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: 235
Temperature: 1.350000
Total energy: -254.000548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.000548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.800548 (E_RNA)
where:
Base-Base interactions energy: -137.872
where: short stacking energy: -57.866
Base-Backbone interact. energy: -0.211
local terms energy: -81.717612
where:
bonds (distance) C4'-P energy: -14.728
bonds (distance) P-C4' energy: -20.559
flat angles C4'-P-C4' energy: -19.709
flat angles P-C4'-P energy: -13.880
tors. eta vs tors. theta energy: -12.842
Dist. restrs. and SS energy: -34.200 (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: 8
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -422.292457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.292457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.892457 (E_RNA)
where:
Base-Base interactions energy: -265.025
where: short stacking energy: -98.518
Base-Backbone interact. energy: -1.061
local terms energy: -105.807053
where:
bonds (distance) C4'-P energy: -22.059
bonds (distance) P-C4' energy: -23.510
flat angles C4'-P-C4' energy: -22.240
flat angles P-C4'-P energy: -11.600
tors. eta vs tors. theta energy: -26.398
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -417.614093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.614093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.214093 (E_RNA)
where:
Base-Base interactions energy: -254.630
where: short stacking energy: -100.925
Base-Backbone interact. energy: 1.124
local terms energy: -113.707912
where:
bonds (distance) C4'-P energy: -21.874
bonds (distance) P-C4' energy: -22.216
flat angles C4'-P-C4' energy: -24.519
flat angles P-C4'-P energy: -14.858
tors. eta vs tors. theta energy: -30.240
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -404.569702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.569702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.169702 (E_RNA)
where:
Base-Base interactions energy: -246.079
where: short stacking energy: -92.987
Base-Backbone interact. energy: -0.297
local terms energy: -107.793252
where:
bonds (distance) C4'-P energy: -20.930
bonds (distance) P-C4' energy: -22.841
flat angles C4'-P-C4' energy: -24.213
flat angles P-C4'-P energy: -18.587
tors. eta vs tors. theta energy: -21.223
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -391.819803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.819803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.219803 (E_RNA)
where:
Base-Base interactions energy: -246.188
where: short stacking energy: -91.501
Base-Backbone interact. energy: -0.437
local terms energy: -96.595550
where:
bonds (distance) C4'-P energy: -17.342
bonds (distance) P-C4' energy: -19.450
flat angles C4'-P-C4' energy: -19.959
flat angles P-C4'-P energy: -17.506
tors. eta vs tors. theta energy: -22.338
Dist. restrs. and SS energy: -48.600 (S_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: 236
Temperature: 1.100000
Total energy: -369.647703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.647703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.247703 (E_RNA)
where:
Base-Base interactions energy: -225.964
where: short stacking energy: -95.307
Base-Backbone interact. energy: 1.386
local terms energy: -94.670236
where:
bonds (distance) C4'-P energy: -22.850
bonds (distance) P-C4' energy: -16.304
flat angles C4'-P-C4' energy: -21.293
flat angles P-C4'-P energy: -12.376
tors. eta vs tors. theta energy: -21.848
Dist. restrs. and SS energy: -50.400 (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: 236
Temperature: 1.150000
Total energy: -286.607300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.607300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.407300 (E_RNA)
where:
Base-Base interactions energy: -165.154
where: short stacking energy: -66.681
Base-Backbone interact. energy: 0.329
local terms energy: -87.581969
where:
bonds (distance) C4'-P energy: -19.118
bonds (distance) P-C4' energy: -23.453
flat angles C4'-P-C4' energy: -24.220
flat angles P-C4'-P energy: -10.067
tors. eta vs tors. theta energy: -10.723
Dist. restrs. and SS energy: -34.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -299.414508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.414508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.414508 (E_RNA)
where:
Base-Base interactions energy: -169.647
where: short stacking energy: -79.660
Base-Backbone interact. energy: -0.113
local terms energy: -93.654670
where:
bonds (distance) C4'-P energy: -18.515
bonds (distance) P-C4' energy: -20.646
flat angles C4'-P-C4' energy: -21.429
flat angles P-C4'-P energy: -11.703
tors. eta vs tors. theta energy: -21.362
Dist. restrs. and SS energy: -36.000 (S_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: 236
Temperature: 1.250000
Total energy: -278.669837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.669837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.669837 (E_RNA)
where:
Base-Base interactions energy: -162.397
where: short stacking energy: -62.804
Base-Backbone interact. energy: 2.520
local terms energy: -91.792877
where:
bonds (distance) C4'-P energy: -18.061
bonds (distance) P-C4' energy: -21.517
flat angles C4'-P-C4' energy: -27.273
flat angles P-C4'-P energy: -14.026
tors. eta vs tors. theta energy: -10.915
Dist. restrs. and SS energy: -27.000 (S_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: 236
Temperature: 1.300000
Total energy: -266.474757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.474757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.474757 (E_RNA)
where:
Base-Base interactions energy: -143.830
where: short stacking energy: -69.437
Base-Backbone interact. energy: -0.085
local terms energy: -86.559269
where:
bonds (distance) C4'-P energy: -16.924
bonds (distance) P-C4' energy: -19.750
flat angles C4'-P-C4' energy: -22.600
flat angles P-C4'-P energy: -13.796
tors. eta vs tors. theta energy: -13.489
Dist. restrs. and SS energy: -36.000 (S_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: 236
Temperature: 1.350000
Total energy: -270.290829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.290829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.090829 (E_RNA)
where:
Base-Base interactions energy: -159.803
where: short stacking energy: -57.124
Base-Backbone interact. energy: -0.302
local terms energy: -75.986132
where:
bonds (distance) C4'-P energy: -13.740
bonds (distance) P-C4' energy: -20.470
flat angles C4'-P-C4' energy: -21.403
flat angles P-C4'-P energy: -9.685
tors. eta vs tors. theta energy: -10.688
Dist. restrs. and SS energy: -34.200 (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: 8
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -419.393350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.393350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.993350 (E_RNA)
where:
Base-Base interactions energy: -256.564
where: short stacking energy: -91.230
Base-Backbone interact. energy: -0.413
local terms energy: -112.016829
where:
bonds (distance) C4'-P energy: -23.931
bonds (distance) P-C4' energy: -21.331
flat angles C4'-P-C4' energy: -24.445
flat angles P-C4'-P energy: -15.571
tors. eta vs tors. theta energy: -26.739
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -408.478789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.478789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.078789 (E_RNA)
where:
Base-Base interactions energy: -252.900
where: short stacking energy: -102.827
Base-Backbone interact. energy: -0.036
local terms energy: -105.143329
where:
bonds (distance) C4'-P energy: -18.400
bonds (distance) P-C4' energy: -20.520
flat angles C4'-P-C4' energy: -27.200
flat angles P-C4'-P energy: -12.233
tors. eta vs tors. theta energy: -26.792
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -402.055510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.055510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.655510 (E_RNA)
where:
Base-Base interactions energy: -246.517
where: short stacking energy: -92.158
Base-Backbone interact. energy: -0.524
local terms energy: -104.615278
where:
bonds (distance) C4'-P energy: -21.387
bonds (distance) P-C4' energy: -22.844
flat angles C4'-P-C4' energy: -21.202
flat angles P-C4'-P energy: -17.167
tors. eta vs tors. theta energy: -22.015
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -396.264027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.264027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.664027 (E_RNA)
where:
Base-Base interactions energy: -240.189
where: short stacking energy: -98.093
Base-Backbone interact. energy: -0.848
local terms energy: -106.626759
where:
bonds (distance) C4'-P energy: -18.414
bonds (distance) P-C4' energy: -21.516
flat angles C4'-P-C4' energy: -23.840
flat angles P-C4'-P energy: -13.684
tors. eta vs tors. theta energy: -29.173
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -360.873398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.873398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.473398 (E_RNA)
where:
Base-Base interactions energy: -211.073
where: short stacking energy: -78.260
Base-Backbone interact. energy: -0.977
local terms energy: -98.423946
where:
bonds (distance) C4'-P energy: -19.606
bonds (distance) P-C4' energy: -21.959
flat angles C4'-P-C4' energy: -19.469
flat angles P-C4'-P energy: -17.347
tors. eta vs tors. theta energy: -20.042
Dist. restrs. and SS energy: -50.400 (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: 9
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -321.851182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.851182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.851182 (E_RNA)
where:
Base-Base interactions energy: -187.592
where: short stacking energy: -81.953
Base-Backbone interact. energy: -0.089
local terms energy: -98.170780
where:
bonds (distance) C4'-P energy: -25.074
bonds (distance) P-C4' energy: -23.127
flat angles C4'-P-C4' energy: -21.098
flat angles P-C4'-P energy: -9.774
tors. eta vs tors. theta energy: -19.098
Dist. restrs. and SS energy: -36.000 (S_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: -279.436556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.436556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.436556 (E_RNA)
where:
Base-Base interactions energy: -150.711
where: short stacking energy: -72.302
Base-Backbone interact. energy: -0.306
local terms energy: -92.419447
where:
bonds (distance) C4'-P energy: -16.300
bonds (distance) P-C4' energy: -21.956
flat angles C4'-P-C4' energy: -20.000
flat angles P-C4'-P energy: -17.884
tors. eta vs tors. theta energy: -16.279
Dist. restrs. and SS energy: -36.000 (S_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: 237
Temperature: 1.250000
Total energy: -288.457662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.457662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.457662 (E_RNA)
where:
Base-Base interactions energy: -164.882
where: short stacking energy: -77.724
Base-Backbone interact. energy: 0.374
local terms energy: -87.950002
where:
bonds (distance) C4'-P energy: -16.239
bonds (distance) P-C4' energy: -18.946
flat angles C4'-P-C4' energy: -16.064
flat angles P-C4'-P energy: -16.069
tors. eta vs tors. theta energy: -20.633
Dist. restrs. and SS energy: -36.000 (S_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: 237
Temperature: 1.300000
Total energy: -282.184967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.184967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.184967 (E_RNA)
where:
Base-Base interactions energy: -156.236
where: short stacking energy: -71.752
Base-Backbone interact. energy: 1.199
local terms energy: -91.147532
where:
bonds (distance) C4'-P energy: -22.020
bonds (distance) P-C4' energy: -19.735
flat angles C4'-P-C4' energy: -21.615
flat angles P-C4'-P energy: -13.791
tors. eta vs tors. theta energy: -13.986
Dist. restrs. and SS energy: -36.000 (S_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: 237
Temperature: 1.350000
Total energy: -248.483339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.483339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.483339 (E_RNA)
where:
Base-Base interactions energy: -133.401
where: short stacking energy: -59.855
Base-Backbone interact. energy: -0.174
local terms energy: -78.908370
where:
bonds (distance) C4'-P energy: -19.025
bonds (distance) P-C4' energy: -23.408
flat angles C4'-P-C4' energy: -21.734
flat angles P-C4'-P energy: -7.769
tors. eta vs tors. theta energy: -6.971
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -416.282688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.282688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.882688 (E_RNA)
where:
Base-Base interactions energy: -250.792
where: short stacking energy: -99.106
Base-Backbone interact. energy: 0.138
local terms energy: -115.229052
where:
bonds (distance) C4'-P energy: -22.116
bonds (distance) P-C4' energy: -22.239
flat angles C4'-P-C4' energy: -21.618
flat angles P-C4'-P energy: -18.137
tors. eta vs tors. theta energy: -31.119
Dist. restrs. and SS energy: -50.400 (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: 8
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -406.197410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.197410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.797410 (E_RNA)
where:
Base-Base interactions energy: -250.105
where: short stacking energy: -89.411
Base-Backbone interact. energy: -0.626
local terms energy: -105.067129
where:
bonds (distance) C4'-P energy: -21.747
bonds (distance) P-C4' energy: -23.123
flat angles C4'-P-C4' energy: -16.937
flat angles P-C4'-P energy: -14.726
tors. eta vs tors. theta energy: -28.535
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -406.221635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.221635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.821635 (E_RNA)
where:
Base-Base interactions energy: -254.506
where: short stacking energy: -94.506
Base-Backbone interact. energy: -0.675
local terms energy: -100.640398
where:
bonds (distance) C4'-P energy: -23.004
bonds (distance) P-C4' energy: -19.989
flat angles C4'-P-C4' energy: -22.791
flat angles P-C4'-P energy: -10.754
tors. eta vs tors. theta energy: -24.102
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -385.962991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.962991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.562991 (E_RNA)
where:
Base-Base interactions energy: -234.438
where: short stacking energy: -87.531
Base-Backbone interact. energy: 0.803
local terms energy: -101.928386
where:
bonds (distance) C4'-P energy: -22.982
bonds (distance) P-C4' energy: -19.661
flat angles C4'-P-C4' energy: -22.461
flat angles P-C4'-P energy: -14.431
tors. eta vs tors. theta energy: -22.393
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -364.860821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.860821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.460821 (E_RNA)
where:
Base-Base interactions energy: -223.730
where: short stacking energy: -83.547
Base-Backbone interact. energy: -0.998
local terms energy: -89.732896
where:
bonds (distance) C4'-P energy: -22.015
bonds (distance) P-C4' energy: -14.172
flat angles C4'-P-C4' energy: -23.429
flat angles P-C4'-P energy: -11.765
tors. eta vs tors. theta energy: -18.352
Dist. restrs. and SS energy: -50.400 (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: 9
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -302.227440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.227440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.027440 (E_RNA)
where:
Base-Base interactions energy: -167.355
where: short stacking energy: -74.702
Base-Backbone interact. energy: -0.183
local terms energy: -100.488876
where:
bonds (distance) C4'-P energy: -19.130
bonds (distance) P-C4' energy: -21.630
flat angles C4'-P-C4' energy: -23.699
flat angles P-C4'-P energy: -20.689
tors. eta vs tors. theta energy: -15.342
Dist. restrs. and SS energy: -34.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -283.617530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.617530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.617530 (E_RNA)
where:
Base-Base interactions energy: -162.516
where: short stacking energy: -72.809
Base-Backbone interact. energy: 0.484
local terms energy: -85.585314
where:
bonds (distance) C4'-P energy: -22.272
bonds (distance) P-C4' energy: -19.156
flat angles C4'-P-C4' energy: -14.840
flat angles P-C4'-P energy: -16.085
tors. eta vs tors. theta energy: -13.233
Dist. restrs. and SS energy: -36.000 (S_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: -273.144824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.144824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.144824 (E_RNA)
where:
Base-Base interactions energy: -144.162
where: short stacking energy: -71.047
Base-Backbone interact. energy: -0.236
local terms energy: -92.747309
where:
bonds (distance) C4'-P energy: -17.656
bonds (distance) P-C4' energy: -21.642
flat angles C4'-P-C4' energy: -18.949
flat angles P-C4'-P energy: -18.356
tors. eta vs tors. theta energy: -16.144
Dist. restrs. and SS energy: -36.000 (S_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: 238
Temperature: 1.300000
Total energy: -281.408534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.408534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.408534 (E_RNA)
where:
Base-Base interactions energy: -159.750
where: short stacking energy: -73.382
Base-Backbone interact. energy: -0.188
local terms energy: -85.470722
where:
bonds (distance) C4'-P energy: -19.498
bonds (distance) P-C4' energy: -17.310
flat angles C4'-P-C4' energy: -18.829
flat angles P-C4'-P energy: -13.409
tors. eta vs tors. theta energy: -16.425
Dist. restrs. and SS energy: -36.000 (S_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: 238
Temperature: 1.350000
Total energy: -269.758941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.758941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.758941 (E_RNA)
where:
Base-Base interactions energy: -142.176
where: short stacking energy: -61.550
Base-Backbone interact. energy: -0.229
local terms energy: -91.354158
where:
bonds (distance) C4'-P energy: -23.600
bonds (distance) P-C4' energy: -22.388
flat angles C4'-P-C4' energy: -13.505
flat angles P-C4'-P energy: -13.587
tors. eta vs tors. theta energy: -18.275
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -419.580864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.580864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.180864 (E_RNA)
where:
Base-Base interactions energy: -255.063
where: short stacking energy: -105.379
Base-Backbone interact. energy: -0.359
local terms energy: -113.758801
where:
bonds (distance) C4'-P energy: -22.524
bonds (distance) P-C4' energy: -24.164
flat angles C4'-P-C4' energy: -21.415
flat angles P-C4'-P energy: -15.871
tors. eta vs tors. theta energy: -29.785
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -404.827928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.827928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.027928 (E_RNA)
where:
Base-Base interactions energy: -248.358
where: short stacking energy: -94.018
Base-Backbone interact. energy: -0.588
local terms energy: -109.081801
where:
bonds (distance) C4'-P energy: -22.065
bonds (distance) P-C4' energy: -22.460
flat angles C4'-P-C4' energy: -19.796
flat angles P-C4'-P energy: -18.461
tors. eta vs tors. theta energy: -26.300
Dist. restrs. and SS energy: -46.800 (S_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: -403.235296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.235296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.835296 (E_RNA)
where:
Base-Base interactions energy: -245.695
where: short stacking energy: -102.381
Base-Backbone interact. energy: -0.834
local terms energy: -106.306547
where:
bonds (distance) C4'-P energy: -19.197
bonds (distance) P-C4' energy: -21.787
flat angles C4'-P-C4' energy: -24.139
flat angles P-C4'-P energy: -15.646
tors. eta vs tors. theta energy: -25.537
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -384.779282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.779282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.379282 (E_RNA)
where:
Base-Base interactions energy: -241.291
where: short stacking energy: -84.715
Base-Backbone interact. energy: -0.569
local terms energy: -92.519611
where:
bonds (distance) C4'-P energy: -17.493
bonds (distance) P-C4' energy: -19.484
flat angles C4'-P-C4' energy: -23.047
flat angles P-C4'-P energy: -13.174
tors. eta vs tors. theta energy: -19.321
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -344.946672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.946672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.546672 (E_RNA)
where:
Base-Base interactions energy: -196.300
where: short stacking energy: -84.828
Base-Backbone interact. energy: -0.414
local terms energy: -97.833033
where:
bonds (distance) C4'-P energy: -20.603
bonds (distance) P-C4' energy: -22.157
flat angles C4'-P-C4' energy: -16.433
flat angles P-C4'-P energy: -14.093
tors. eta vs tors. theta energy: -24.547
Dist. restrs. and SS energy: -50.400 (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: 4
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -281.560318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.560318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.360318 (E_RNA)
where:
Base-Base interactions energy: -156.850
where: short stacking energy: -73.921
Base-Backbone interact. energy: -0.273
local terms energy: -90.236722
where:
bonds (distance) C4'-P energy: -17.303
bonds (distance) P-C4' energy: -19.470
flat angles C4'-P-C4' energy: -23.001
flat angles P-C4'-P energy: -11.593
tors. eta vs tors. theta energy: -18.869
Dist. restrs. and SS energy: -34.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -277.946701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.946701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.946701 (E_RNA)
where:
Base-Base interactions energy: -155.144
where: short stacking energy: -83.575
Base-Backbone interact. energy: -0.120
local terms energy: -86.681930
where:
bonds (distance) C4'-P energy: -11.921
bonds (distance) P-C4' energy: -25.265
flat angles C4'-P-C4' energy: -18.940
flat angles P-C4'-P energy: -17.407
tors. eta vs tors. theta energy: -13.148
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -288.997487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.997487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.997487 (E_RNA)
where:
Base-Base interactions energy: -168.634
where: short stacking energy: -75.837
Base-Backbone interact. energy: -0.029
local terms energy: -84.334306
where:
bonds (distance) C4'-P energy: -18.013
bonds (distance) P-C4' energy: -23.726
flat angles C4'-P-C4' energy: -18.053
flat angles P-C4'-P energy: -5.856
tors. eta vs tors. theta energy: -18.687
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -272.122993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.122993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.122993 (E_RNA)
where:
Base-Base interactions energy: -158.151
where: short stacking energy: -67.566
Base-Backbone interact. energy: -0.180
local terms energy: -77.791566
where:
bonds (distance) C4'-P energy: -23.000
bonds (distance) P-C4' energy: -21.632
flat angles C4'-P-C4' energy: -19.836
flat angles P-C4'-P energy: 0.307
tors. eta vs tors. theta energy: -13.630
Dist. restrs. and SS energy: -36.000 (S_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: 239
Temperature: 1.350000
Total energy: -273.938270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.938270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.938270 (E_RNA)
where:
Base-Base interactions energy: -152.326
where: short stacking energy: -69.499
Base-Backbone interact. energy: -0.490
local terms energy: -85.122166
where:
bonds (distance) C4'-P energy: -16.477
bonds (distance) P-C4' energy: -16.174
flat angles C4'-P-C4' energy: -18.515
flat angles P-C4'-P energy: -16.239
tors. eta vs tors. theta energy: -17.717
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -417.429423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.429423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.829423 (E_RNA)
where:
Base-Base interactions energy: -250.287
where: short stacking energy: -102.406
Base-Backbone interact. energy: -0.351
local terms energy: -118.191332
where:
bonds (distance) C4'-P energy: -23.341
bonds (distance) P-C4' energy: -24.164
flat angles C4'-P-C4' energy: -25.278
flat angles P-C4'-P energy: -16.382
tors. eta vs tors. theta energy: -29.027
Dist. restrs. and SS energy: -48.600 (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: 1
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -398.428142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.428142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.828142 (E_RNA)
where:
Base-Base interactions energy: -245.490
where: short stacking energy: -98.680
Base-Backbone interact. energy: -1.242
local terms energy: -103.095817
where:
bonds (distance) C4'-P energy: -21.551
bonds (distance) P-C4' energy: -18.918
flat angles C4'-P-C4' energy: -22.816
flat angles P-C4'-P energy: -12.290
tors. eta vs tors. theta energy: -27.520
Dist. restrs. and SS energy: -48.600 (S_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: 240
Temperature: 1.000000
Total energy: -405.770854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.770854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.770854 (E_RNA)
where:
Base-Base interactions energy: -250.435
where: short stacking energy: -93.725
Base-Backbone interact. energy: -1.540
local terms energy: -108.795878
where:
bonds (distance) C4'-P energy: -19.816
bonds (distance) P-C4' energy: -24.409
flat angles C4'-P-C4' energy: -16.193
flat angles P-C4'-P energy: -19.129
tors. eta vs tors. theta energy: -29.249
Dist. restrs. and SS energy: -45.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -377.126488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.126488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.726488 (E_RNA)
where:
Base-Base interactions energy: -221.638
where: short stacking energy: -97.554
Base-Backbone interact. energy: -0.550
local terms energy: -104.538269
where:
bonds (distance) C4'-P energy: -16.916
bonds (distance) P-C4' energy: -23.058
flat angles C4'-P-C4' energy: -22.147
flat angles P-C4'-P energy: -14.757
tors. eta vs tors. theta energy: -27.660
Dist. restrs. and SS energy: -50.400 (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: 4
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -294.453606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.453606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.453606 (E_RNA)
where:
Base-Base interactions energy: -162.406
where: short stacking energy: -72.782
Base-Backbone interact. energy: -0.061
local terms energy: -95.986840
where:
bonds (distance) C4'-P energy: -20.409
bonds (distance) P-C4' energy: -22.824
flat angles C4'-P-C4' energy: -20.011
flat angles P-C4'-P energy: -12.257
tors. eta vs tors. theta energy: -20.486
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -338.236527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.236527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.836527 (E_RNA)
where:
Base-Base interactions energy: -194.326
where: short stacking energy: -67.084
Base-Backbone interact. energy: -0.394
local terms energy: -93.116812
where:
bonds (distance) C4'-P energy: -19.300
bonds (distance) P-C4' energy: -24.281
flat angles C4'-P-C4' energy: -20.394
flat angles P-C4'-P energy: -12.811
tors. eta vs tors. theta energy: -16.331
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -273.982540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.982540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.982540 (E_RNA)
where:
Base-Base interactions energy: -160.526
where: short stacking energy: -68.142
Base-Backbone interact. energy: -0.336
local terms energy: -77.120093
where:
bonds (distance) C4'-P energy: -18.053
bonds (distance) P-C4' energy: -14.319
flat angles C4'-P-C4' energy: -22.564
flat angles P-C4'-P energy: -14.998
tors. eta vs tors. theta energy: -7.186
Dist. restrs. and SS energy: -36.000 (S_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: 240
Temperature: 1.250000
Total energy: -276.413890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.413890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.213890 (E_RNA)
where:
Base-Base interactions energy: -155.806
where: short stacking energy: -69.484
Base-Backbone interact. energy: -0.377
local terms energy: -86.031596
where:
bonds (distance) C4'-P energy: -17.215
bonds (distance) P-C4' energy: -17.461
flat angles C4'-P-C4' energy: -24.597
flat angles P-C4'-P energy: -13.971
tors. eta vs tors. theta energy: -12.787
Dist. restrs. and SS energy: -34.200 (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: 7
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -243.696247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.696247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.696247 (E_RNA)
where:
Base-Base interactions energy: -121.563
where: short stacking energy: -53.019
Base-Backbone interact. energy: -0.641
local terms energy: -85.492219
where:
bonds (distance) C4'-P energy: -22.335
bonds (distance) P-C4' energy: -26.758
flat angles C4'-P-C4' energy: -18.116
flat angles P-C4'-P energy: -12.826
tors. eta vs tors. theta energy: -5.458
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -268.944146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.944146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.744146 (E_RNA)
where:
Base-Base interactions energy: -163.328
where: short stacking energy: -77.573
Base-Backbone interact. energy: -0.313
local terms energy: -71.102686
where:
bonds (distance) C4'-P energy: -16.844
bonds (distance) P-C4' energy: -12.415
flat angles C4'-P-C4' energy: -22.284
flat angles P-C4'-P energy: -7.633
tors. eta vs tors. theta energy: -11.928
Dist. restrs. and SS energy: -34.200 (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: 5
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -420.003283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.003283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.603283 (E_RNA)
where:
Base-Base interactions energy: -262.125
where: short stacking energy: -103.935
Base-Backbone interact. energy: -0.784
local terms energy: -106.693888
where:
bonds (distance) C4'-P energy: -21.619
bonds (distance) P-C4' energy: -18.751
flat angles C4'-P-C4' energy: -23.009
flat angles P-C4'-P energy: -16.414
tors. eta vs tors. theta energy: -26.901
Dist. restrs. and SS energy: -50.400 (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: 8
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -406.676588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.676588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.276588 (E_RNA)
where:
Base-Base interactions energy: -249.042
where: short stacking energy: -98.194
Base-Backbone interact. energy: -0.974
local terms energy: -106.260361
where:
bonds (distance) C4'-P energy: -18.982
bonds (distance) P-C4' energy: -24.327
flat angles C4'-P-C4' energy: -20.418
flat angles P-C4'-P energy: -13.506
tors. eta vs tors. theta energy: -29.027
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -401.647534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.647534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.247534 (E_RNA)
where:
Base-Base interactions energy: -242.758
where: short stacking energy: -98.264
Base-Backbone interact. energy: 1.221
local terms energy: -109.709900
where:
bonds (distance) C4'-P energy: -23.638
bonds (distance) P-C4' energy: -25.909
flat angles C4'-P-C4' energy: -21.061
flat angles P-C4'-P energy: -12.757
tors. eta vs tors. theta energy: -26.346
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -384.234013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.234013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.434013 (E_RNA)
where:
Base-Base interactions energy: -241.187
where: short stacking energy: -90.109
Base-Backbone interact. energy: -0.204
local terms energy: -96.043224
where:
bonds (distance) C4'-P energy: -19.884
bonds (distance) P-C4' energy: -19.175
flat angles C4'-P-C4' energy: -19.777
flat angles P-C4'-P energy: -12.709
tors. eta vs tors. theta energy: -24.498
Dist. restrs. and SS energy: -46.800 (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: 4
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -299.355469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.355469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.355469 (E_RNA)
where:
Base-Base interactions energy: -172.377
where: short stacking energy: -77.613
Base-Backbone interact. energy: -0.406
local terms energy: -90.572548
where:
bonds (distance) C4'-P energy: -18.361
bonds (distance) P-C4' energy: -19.124
flat angles C4'-P-C4' energy: -20.570
flat angles P-C4'-P energy: -14.173
tors. eta vs tors. theta energy: -18.345
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -337.682675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.682675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.082675 (E_RNA)
where:
Base-Base interactions energy: -191.251
where: short stacking energy: -76.623
Base-Backbone interact. energy: -1.123
local terms energy: -96.708617
where:
bonds (distance) C4'-P energy: -17.995
bonds (distance) P-C4' energy: -23.648
flat angles C4'-P-C4' energy: -22.600
flat angles P-C4'-P energy: -17.071
tors. eta vs tors. theta energy: -15.395
Dist. restrs. and SS energy: -48.600 (S_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: 241
Temperature: 1.200000
Total energy: -283.931686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.931686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.931686 (E_RNA)
where:
Base-Base interactions energy: -151.445
where: short stacking energy: -73.591
Base-Backbone interact. energy: -0.643
local terms energy: -95.844199
where:
bonds (distance) C4'-P energy: -18.340
bonds (distance) P-C4' energy: -19.158
flat angles C4'-P-C4' energy: -22.060
flat angles P-C4'-P energy: -14.551
tors. eta vs tors. theta energy: -21.735
Dist. restrs. and SS energy: -36.000 (S_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: 241
Temperature: 1.250000
Total energy: -298.715561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.715561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.715561 (E_RNA)
where:
Base-Base interactions energy: -163.766
where: short stacking energy: -72.545
Base-Backbone interact. energy: -0.067
local terms energy: -98.883150
where:
bonds (distance) C4'-P energy: -19.622
bonds (distance) P-C4' energy: -23.338
flat angles C4'-P-C4' energy: -21.520
flat angles P-C4'-P energy: -16.434
tors. eta vs tors. theta energy: -17.969
Dist. restrs. and SS energy: -36.000 (S_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: 241
Temperature: 1.300000
Total energy: -263.536956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.536956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.536956 (E_RNA)
where:
Base-Base interactions energy: -150.469
where: short stacking energy: -61.717
Base-Backbone interact. energy: -0.043
local terms energy: -77.025374
where:
bonds (distance) C4'-P energy: -21.281
bonds (distance) P-C4' energy: -17.561
flat angles C4'-P-C4' energy: -17.745
flat angles P-C4'-P energy: -13.670
tors. eta vs tors. theta energy: -6.767
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -237.736910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.736910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.736910 (E_RNA)
where:
Base-Base interactions energy: -129.956
where: short stacking energy: -53.694
Base-Backbone interact. energy: -0.722
local terms energy: -71.058833
where:
bonds (distance) C4'-P energy: -14.074
bonds (distance) P-C4' energy: -19.395
flat angles C4'-P-C4' energy: -18.027
flat angles P-C4'-P energy: -13.885
tors. eta vs tors. theta energy: -5.678
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -420.093347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.093347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.693347 (E_RNA)
where:
Base-Base interactions energy: -262.138
where: short stacking energy: -103.704
Base-Backbone interact. energy: -2.097
local terms energy: -105.458562
where:
bonds (distance) C4'-P energy: -18.532
bonds (distance) P-C4' energy: -18.960
flat angles C4'-P-C4' energy: -21.782
flat angles P-C4'-P energy: -16.868
tors. eta vs tors. theta energy: -29.315
Dist. restrs. and SS energy: -50.400 (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: 8
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -402.649223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.649223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.249223 (E_RNA)
where:
Base-Base interactions energy: -249.411
where: short stacking energy: -88.511
Base-Backbone interact. energy: -2.215
local terms energy: -100.623245
where:
bonds (distance) C4'-P energy: -22.699
bonds (distance) P-C4' energy: -21.399
flat angles C4'-P-C4' energy: -17.658
flat angles P-C4'-P energy: -17.194
tors. eta vs tors. theta energy: -21.674
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -401.361019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.361019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.961019 (E_RNA)
where:
Base-Base interactions energy: -254.125
where: short stacking energy: -100.111
Base-Backbone interact. energy: -0.679
local terms energy: -96.156840
where:
bonds (distance) C4'-P energy: -18.111
bonds (distance) P-C4' energy: -15.383
flat angles C4'-P-C4' energy: -22.347
flat angles P-C4'-P energy: -11.623
tors. eta vs tors. theta energy: -28.692
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -372.797237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.797237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.397237 (E_RNA)
where:
Base-Base interactions energy: -230.602
where: short stacking energy: -86.905
Base-Backbone interact. energy: 2.093
local terms energy: -93.887895
where:
bonds (distance) C4'-P energy: -23.398
bonds (distance) P-C4' energy: -23.651
flat angles C4'-P-C4' energy: -14.718
flat angles P-C4'-P energy: -14.071
tors. eta vs tors. theta energy: -18.050
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -355.286511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.286511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.886511 (E_RNA)
where:
Base-Base interactions energy: -199.292
where: short stacking energy: -88.523
Base-Backbone interact. energy: -0.551
local terms energy: -105.043299
where:
bonds (distance) C4'-P energy: -23.493
bonds (distance) P-C4' energy: -22.105
flat angles C4'-P-C4' energy: -20.991
flat angles P-C4'-P energy: -14.046
tors. eta vs tors. theta energy: -24.407
Dist. restrs. and SS energy: -50.400 (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: 4
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -300.515320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.515320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.515320 (E_RNA)
where:
Base-Base interactions energy: -172.424
where: short stacking energy: -85.259
Base-Backbone interact. energy: -0.952
local terms energy: -91.139415
where:
bonds (distance) C4'-P energy: -19.321
bonds (distance) P-C4' energy: -17.584
flat angles C4'-P-C4' energy: -19.236
flat angles P-C4'-P energy: -17.185
tors. eta vs tors. theta energy: -17.814
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -296.097770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.097770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.097770 (E_RNA)
where:
Base-Base interactions energy: -182.143
where: short stacking energy: -71.613
Base-Backbone interact. energy: -0.150
local terms energy: -77.804394
where:
bonds (distance) C4'-P energy: -16.703
bonds (distance) P-C4' energy: -15.527
flat angles C4'-P-C4' energy: -19.552
flat angles P-C4'-P energy: -11.079
tors. eta vs tors. theta energy: -14.943
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -280.623338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.623338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.623338 (E_RNA)
where:
Base-Base interactions energy: -156.986
where: short stacking energy: -84.028
Base-Backbone interact. energy: -0.097
local terms energy: -87.540971
where:
bonds (distance) C4'-P energy: -20.670
bonds (distance) P-C4' energy: -20.143
flat angles C4'-P-C4' energy: -22.111
flat angles P-C4'-P energy: -5.579
tors. eta vs tors. theta energy: -19.038
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -247.208613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.208613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.208613 (E_RNA)
where:
Base-Base interactions energy: -127.995
where: short stacking energy: -56.438
Base-Backbone interact. energy: 0.789
local terms energy: -84.002956
where:
bonds (distance) C4'-P energy: -21.199
bonds (distance) P-C4' energy: -20.522
flat angles C4'-P-C4' energy: -19.137
flat angles P-C4'-P energy: -15.836
tors. eta vs tors. theta energy: -7.309
Dist. restrs. and SS energy: -36.000 (S_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: 242
Temperature: 1.350000
Total energy: -250.438004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.438004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.438004 (E_RNA)
where:
Base-Base interactions energy: -128.294
where: short stacking energy: -60.902
Base-Backbone interact. energy: -0.727
local terms energy: -85.417052
where:
bonds (distance) C4'-P energy: -20.331
bonds (distance) P-C4' energy: -21.534
flat angles C4'-P-C4' energy: -23.085
flat angles P-C4'-P energy: -5.304
tors. eta vs tors. theta energy: -15.163
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -414.955811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.955811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.555811 (E_RNA)
where:
Base-Base interactions energy: -261.648
where: short stacking energy: -107.700
Base-Backbone interact. energy: -1.891
local terms energy: -101.016900
where:
bonds (distance) C4'-P energy: -17.292
bonds (distance) P-C4' energy: -19.956
flat angles C4'-P-C4' energy: -22.932
flat angles P-C4'-P energy: -14.795
tors. eta vs tors. theta energy: -26.042
Dist. restrs. and SS energy: -50.400 (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: 8
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -417.824547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.824547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.824547 (E_RNA)
where:
Base-Base interactions energy: -252.840
where: short stacking energy: -99.687
Base-Backbone interact. energy: -1.937
local terms energy: -118.047954
where:
bonds (distance) C4'-P energy: -22.165
bonds (distance) P-C4' energy: -24.472
flat angles C4'-P-C4' energy: -24.012
flat angles P-C4'-P energy: -14.612
tors. eta vs tors. theta energy: -32.787
Dist. restrs. and SS energy: -45.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -393.977779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.977779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.577779 (E_RNA)
where:
Base-Base interactions energy: -238.045
where: short stacking energy: -97.843
Base-Backbone interact. energy: -1.157
local terms energy: -104.376226
where:
bonds (distance) C4'-P energy: -14.851
bonds (distance) P-C4' energy: -23.504
flat angles C4'-P-C4' energy: -21.401
flat angles P-C4'-P energy: -15.403
tors. eta vs tors. theta energy: -29.217
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -380.511018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.511018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.111018 (E_RNA)
where:
Base-Base interactions energy: -231.609
where: short stacking energy: -84.533
Base-Backbone interact. energy: -0.595
local terms energy: -97.906296
where:
bonds (distance) C4'-P energy: -18.347
bonds (distance) P-C4' energy: -18.048
flat angles C4'-P-C4' energy: -21.042
flat angles P-C4'-P energy: -20.663
tors. eta vs tors. theta energy: -19.805
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -348.739328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.739328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.339328 (E_RNA)
where:
Base-Base interactions energy: -196.790
where: short stacking energy: -69.082
Base-Backbone interact. energy: -0.845
local terms energy: -100.703638
where:
bonds (distance) C4'-P energy: -18.670
bonds (distance) P-C4' energy: -19.039
flat angles C4'-P-C4' energy: -24.650
flat angles P-C4'-P energy: -16.530
tors. eta vs tors. theta energy: -21.815
Dist. restrs. and SS energy: -50.400 (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: 4
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -317.875496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.875496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.875496 (E_RNA)
where:
Base-Base interactions energy: -179.019
where: short stacking energy: -96.782
Base-Backbone interact. energy: -0.630
local terms energy: -102.226302
where:
bonds (distance) C4'-P energy: -21.812
bonds (distance) P-C4' energy: -22.652
flat angles C4'-P-C4' energy: -18.196
flat angles P-C4'-P energy: -16.602
tors. eta vs tors. theta energy: -22.964
Dist. restrs. and SS energy: -36.000 (S_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: 243
Temperature: 1.200000
Total energy: -281.952054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.952054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.952054 (E_RNA)
where:
Base-Base interactions energy: -144.524
where: short stacking energy: -63.056
Base-Backbone interact. energy: -0.157
local terms energy: -101.270504
where:
bonds (distance) C4'-P energy: -20.653
bonds (distance) P-C4' energy: -25.135
flat angles C4'-P-C4' energy: -21.597
flat angles P-C4'-P energy: -19.273
tors. eta vs tors. theta energy: -14.612
Dist. restrs. and SS energy: -36.000 (S_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: 243
Temperature: 1.250000
Total energy: -261.567066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.567066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.367066 (E_RNA)
where:
Base-Base interactions energy: -146.119
where: short stacking energy: -62.297
Base-Backbone interact. energy: -0.255
local terms energy: -80.993296
where:
bonds (distance) C4'-P energy: -21.969
bonds (distance) P-C4' energy: -22.059
flat angles C4'-P-C4' energy: -21.711
flat angles P-C4'-P energy: -9.498
tors. eta vs tors. theta energy: -5.756
Dist. restrs. and SS energy: -34.200 (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: 9
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -268.625249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.625249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.625249 (E_RNA)
where:
Base-Base interactions energy: -143.819
where: short stacking energy: -65.422
Base-Backbone interact. energy: -0.477
local terms energy: -88.330048
where:
bonds (distance) C4'-P energy: -21.580
bonds (distance) P-C4' energy: -21.220
flat angles C4'-P-C4' energy: -21.816
flat angles P-C4'-P energy: -13.411
tors. eta vs tors. theta energy: -10.303
Dist. restrs. and SS energy: -36.000 (S_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: 243
Temperature: 1.350000
Total energy: -236.298805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.298805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.098805 (E_RNA)
where:
Base-Base interactions energy: -121.453
where: short stacking energy: -54.621
Base-Backbone interact. energy: -0.238
local terms energy: -80.407859
where:
bonds (distance) C4'-P energy: -21.729
bonds (distance) P-C4' energy: -22.634
flat angles C4'-P-C4' energy: -20.778
flat angles P-C4'-P energy: -8.976
tors. eta vs tors. theta energy: -6.291
Dist. restrs. and SS energy: -34.200 (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: 8
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -422.307380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.307380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.907380 (E_RNA)
where:
Base-Base interactions energy: -261.119
where: short stacking energy: -99.563
Base-Backbone interact. energy: -0.539
local terms energy: -110.249852
where:
bonds (distance) C4'-P energy: -21.760
bonds (distance) P-C4' energy: -25.473
flat angles C4'-P-C4' energy: -23.976
flat angles P-C4'-P energy: -13.247
tors. eta vs tors. theta energy: -25.794
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -408.259598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.259598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.859598 (E_RNA)
where:
Base-Base interactions energy: -254.865
where: short stacking energy: -104.324
Base-Backbone interact. energy: -0.832
local terms energy: -102.162537
where:
bonds (distance) C4'-P energy: -22.804
bonds (distance) P-C4' energy: -16.681
flat angles C4'-P-C4' energy: -19.346
flat angles P-C4'-P energy: -19.835
tors. eta vs tors. theta energy: -23.498
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -407.956782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.956782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.556782 (E_RNA)
where:
Base-Base interactions energy: -254.810
where: short stacking energy: -104.408
Base-Backbone interact. energy: -0.503
local terms energy: -102.243063
where:
bonds (distance) C4'-P energy: -20.649
bonds (distance) P-C4' energy: -15.627
flat angles C4'-P-C4' energy: -22.256
flat angles P-C4'-P energy: -16.057
tors. eta vs tors. theta energy: -27.654
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -367.655251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.655251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.255251 (E_RNA)
where:
Base-Base interactions energy: -219.383
where: short stacking energy: -83.264
Base-Backbone interact. energy: -0.634
local terms energy: -97.237931
where:
bonds (distance) C4'-P energy: -25.278
bonds (distance) P-C4' energy: -16.751
flat angles C4'-P-C4' energy: -25.053
flat angles P-C4'-P energy: -9.939
tors. eta vs tors. theta energy: -20.217
Dist. restrs. and SS energy: -50.400 (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: 4
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -315.899836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.899836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.699836 (E_RNA)
where:
Base-Base interactions energy: -176.073
where: short stacking energy: -84.803
Base-Backbone interact. energy: 2.346
local terms energy: -107.973522
where:
bonds (distance) C4'-P energy: -21.178
bonds (distance) P-C4' energy: -23.401
flat angles C4'-P-C4' energy: -26.135
flat angles P-C4'-P energy: -15.886
tors. eta vs tors. theta energy: -21.374
Dist. restrs. and SS energy: -34.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -332.635336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.635336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.235336 (E_RNA)
where:
Base-Base interactions energy: -194.902
where: short stacking energy: -76.335
Base-Backbone interact. energy: -1.276
local terms energy: -86.057800
where:
bonds (distance) C4'-P energy: -19.515
bonds (distance) P-C4' energy: -17.606
flat angles C4'-P-C4' energy: -19.144
flat angles P-C4'-P energy: -11.648
tors. eta vs tors. theta energy: -18.145
Dist. restrs. and SS energy: -50.400 (S_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: -295.096590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.096590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.096590 (E_RNA)
where:
Base-Base interactions energy: -162.413
where: short stacking energy: -75.825
Base-Backbone interact. energy: -0.845
local terms energy: -95.838386
where:
bonds (distance) C4'-P energy: -20.119
bonds (distance) P-C4' energy: -21.663
flat angles C4'-P-C4' energy: -23.946
flat angles P-C4'-P energy: -12.031
tors. eta vs tors. theta energy: -18.080
Dist. restrs. and SS energy: -36.000 (S_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: 244
Temperature: 1.250000
Total energy: -262.497391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.497391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.497391 (E_RNA)
where:
Base-Base interactions energy: -146.119
where: short stacking energy: -60.373
Base-Backbone interact. energy: -0.125
local terms energy: -80.252915
where:
bonds (distance) C4'-P energy: -21.250
bonds (distance) P-C4' energy: -14.084
flat angles C4'-P-C4' energy: -22.365
flat angles P-C4'-P energy: -14.746
tors. eta vs tors. theta energy: -7.808
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -275.412116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.412116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.212116 (E_RNA)
where:
Base-Base interactions energy: -145.341
where: short stacking energy: -64.322
Base-Backbone interact. energy: -0.946
local terms energy: -94.925404
where:
bonds (distance) C4'-P energy: -21.897
bonds (distance) P-C4' energy: -20.766
flat angles C4'-P-C4' energy: -21.307
flat angles P-C4'-P energy: -17.063
tors. eta vs tors. theta energy: -13.893
Dist. restrs. and SS energy: -34.200 (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: 244
Temperature: 1.350000
Total energy: -236.949696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.949696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.349696 (E_RNA)
where:
Base-Base interactions energy: -128.969
where: short stacking energy: -62.416
Base-Backbone interact. energy: -0.298
local terms energy: -77.082121
where:
bonds (distance) C4'-P energy: -15.889
bonds (distance) P-C4' energy: -19.917
flat angles C4'-P-C4' energy: -13.667
flat angles P-C4'-P energy: -15.837
tors. eta vs tors. theta energy: -11.772
Dist. restrs. and SS energy: -30.600 (S_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: 245
Temperature: 0.900000
Total energy: -420.780010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.780010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.380010 (E_RNA)
where:
Base-Base interactions energy: -256.075
where: short stacking energy: -100.119
Base-Backbone interact. energy: -2.107
local terms energy: -112.198811
where:
bonds (distance) C4'-P energy: -19.956
bonds (distance) P-C4' energy: -23.744
flat angles C4'-P-C4' energy: -24.513
flat angles P-C4'-P energy: -18.190
tors. eta vs tors. theta energy: -25.795
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -417.837712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.837712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.437712 (E_RNA)
where:
Base-Base interactions energy: -264.501
where: short stacking energy: -99.665
Base-Backbone interact. energy: -0.854
local terms energy: -102.082969
where:
bonds (distance) C4'-P energy: -19.038
bonds (distance) P-C4' energy: -20.985
flat angles C4'-P-C4' energy: -23.289
flat angles P-C4'-P energy: -12.520
tors. eta vs tors. theta energy: -26.250
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -411.728949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.728949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.328949 (E_RNA)
where:
Base-Base interactions energy: -251.305
where: short stacking energy: -95.892
Base-Backbone interact. energy: -1.540
local terms energy: -108.483935
where:
bonds (distance) C4'-P energy: -24.698
bonds (distance) P-C4' energy: -20.306
flat angles C4'-P-C4' energy: -20.630
flat angles P-C4'-P energy: -16.795
tors. eta vs tors. theta energy: -26.055
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -367.460421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.460421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.060421 (E_RNA)
where:
Base-Base interactions energy: -217.685
where: short stacking energy: -85.227
Base-Backbone interact. energy: -0.265
local terms energy: -108.110654
where:
bonds (distance) C4'-P energy: -22.246
bonds (distance) P-C4' energy: -20.709
flat angles C4'-P-C4' energy: -23.917
flat angles P-C4'-P energy: -15.388
tors. eta vs tors. theta energy: -25.851
Dist. restrs. and SS energy: -41.400 (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: 4
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -294.712239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.712239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.712239 (E_RNA)
where:
Base-Base interactions energy: -164.925
where: short stacking energy: -80.035
Base-Backbone interact. energy: -0.579
local terms energy: -93.207805
where:
bonds (distance) C4'-P energy: -21.669
bonds (distance) P-C4' energy: -16.479
flat angles C4'-P-C4' energy: -21.372
flat angles P-C4'-P energy: -13.535
tors. eta vs tors. theta energy: -20.153
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -299.441453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.441453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.841453 (E_RNA)
where:
Base-Base interactions energy: -167.822
where: short stacking energy: -68.902
Base-Backbone interact. energy: 0.096
local terms energy: -83.115469
where:
bonds (distance) C4'-P energy: -17.290
bonds (distance) P-C4' energy: -16.187
flat angles C4'-P-C4' energy: -25.097
flat angles P-C4'-P energy: -10.896
tors. eta vs tors. theta energy: -13.646
Dist. restrs. and SS energy: -48.600 (S_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: 245
Temperature: 1.200000
Total energy: -291.748560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.748560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.348560 (E_RNA)
where:
Base-Base interactions energy: -166.052
where: short stacking energy: -83.879
Base-Backbone interact. energy: -0.977
local terms energy: -92.319407
where:
bonds (distance) C4'-P energy: -13.479
bonds (distance) P-C4' energy: -24.960
flat angles C4'-P-C4' energy: -18.571
flat angles P-C4'-P energy: -12.394
tors. eta vs tors. theta energy: -22.916
Dist. restrs. and SS energy: -32.400 (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: 2
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -270.596526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.596526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.396526 (E_RNA)
where:
Base-Base interactions energy: -151.989
where: short stacking energy: -65.680
Base-Backbone interact. energy: -0.146
local terms energy: -84.261454
where:
bonds (distance) C4'-P energy: -16.410
bonds (distance) P-C4' energy: -22.636
flat angles C4'-P-C4' energy: -19.475
flat angles P-C4'-P energy: -9.607
tors. eta vs tors. theta energy: -16.134
Dist. restrs. and SS energy: -34.200 (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: 9
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -258.649609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.649609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.449609 (E_RNA)
where:
Base-Base interactions energy: -137.981
where: short stacking energy: -69.857
Base-Backbone interact. energy: -0.463
local terms energy: -86.005312
where:
bonds (distance) C4'-P energy: -20.863
bonds (distance) P-C4' energy: -14.944
flat angles C4'-P-C4' energy: -23.457
flat angles P-C4'-P energy: -6.157
tors. eta vs tors. theta energy: -20.584
Dist. restrs. and SS energy: -34.200 (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: 245
Temperature: 1.350000
Total energy: -241.310496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.310496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.110496 (E_RNA)
where:
Base-Base interactions energy: -131.315
where: short stacking energy: -59.985
Base-Backbone interact. energy: -0.809
local terms energy: -74.986679
where:
bonds (distance) C4'-P energy: -13.612
bonds (distance) P-C4' energy: -20.395
flat angles C4'-P-C4' energy: -18.975
flat angles P-C4'-P energy: -15.633
tors. eta vs tors. theta energy: -6.371
Dist. restrs. and SS energy: -34.200 (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: 246
Temperature: 0.900000
Total energy: -416.823487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.823487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.423487 (E_RNA)
where:
Base-Base interactions energy: -251.880
where: short stacking energy: -99.342
Base-Backbone interact. energy: -1.255
local terms energy: -113.288506
where:
bonds (distance) C4'-P energy: -22.397
bonds (distance) P-C4' energy: -25.047
flat angles C4'-P-C4' energy: -22.907
flat angles P-C4'-P energy: -16.179
tors. eta vs tors. theta energy: -26.758
Dist. restrs. and SS energy: -50.400 (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: 8
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -403.616382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.616382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.016382 (E_RNA)
where:
Base-Base interactions energy: -247.406
where: short stacking energy: -92.478
Base-Backbone interact. energy: -0.457
local terms energy: -107.153329
where:
bonds (distance) C4'-P energy: -18.222
bonds (distance) P-C4' energy: -26.089
flat angles C4'-P-C4' energy: -23.986
flat angles P-C4'-P energy: -10.745
tors. eta vs tors. theta energy: -28.110
Dist. restrs. and SS energy: -48.600 (S_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: 246
Temperature: 1.000000
Total energy: -390.205791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.205791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.605791 (E_RNA)
where:
Base-Base interactions energy: -233.939
where: short stacking energy: -96.649
Base-Backbone interact. energy: -0.670
local terms energy: -106.996602
where:
bonds (distance) C4'-P energy: -24.325
bonds (distance) P-C4' energy: -21.929
flat angles C4'-P-C4' energy: -20.984
flat angles P-C4'-P energy: -14.353
tors. eta vs tors. theta energy: -25.405
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -397.426070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.426070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.826070 (E_RNA)
where:
Base-Base interactions energy: -240.619
where: short stacking energy: -96.802
Base-Backbone interact. energy: -0.195
local terms energy: -108.011212
where:
bonds (distance) C4'-P energy: -20.057
bonds (distance) P-C4' energy: -23.749
flat angles C4'-P-C4' energy: -19.467
flat angles P-C4'-P energy: -18.090
tors. eta vs tors. theta energy: -26.648
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -286.297655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.297655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.697655 (E_RNA)
where:
Base-Base interactions energy: -159.199
where: short stacking energy: -81.934
Base-Backbone interact. energy: 0.132
local terms energy: -87.630686
where:
bonds (distance) C4'-P energy: -18.874
bonds (distance) P-C4' energy: -12.530
flat angles C4'-P-C4' energy: -22.313
flat angles P-C4'-P energy: -17.969
tors. eta vs tors. theta energy: -15.945
Dist. restrs. and SS energy: -39.600 (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: 4
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -295.897489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.897489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.897489 (E_RNA)
where:
Base-Base interactions energy: -174.034
where: short stacking energy: -73.577
Base-Backbone interact. energy: -0.192
local terms energy: -85.671930
where:
bonds (distance) C4'-P energy: -22.503
bonds (distance) P-C4' energy: -24.268
flat angles C4'-P-C4' energy: -18.336
flat angles P-C4'-P energy: -5.832
tors. eta vs tors. theta energy: -14.732
Dist. restrs. and SS energy: -36.000 (S_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: 246
Temperature: 1.200000
Total energy: -289.095106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.095106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.095106 (E_RNA)
where:
Base-Base interactions energy: -155.911
where: short stacking energy: -73.980
Base-Backbone interact. energy: -0.394
local terms energy: -96.790575
where:
bonds (distance) C4'-P energy: -20.139
bonds (distance) P-C4' energy: -18.690
flat angles C4'-P-C4' energy: -24.567
flat angles P-C4'-P energy: -15.114
tors. eta vs tors. theta energy: -18.281
Dist. restrs. and SS energy: -36.000 (S_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: 246
Temperature: 1.250000
Total energy: -278.541951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.541951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.541951 (E_RNA)
where:
Base-Base interactions energy: -148.982
where: short stacking energy: -62.696
Base-Backbone interact. energy: -0.285
local terms energy: -93.274886
where:
bonds (distance) C4'-P energy: -21.037
bonds (distance) P-C4' energy: -23.137
flat angles C4'-P-C4' energy: -19.081
flat angles P-C4'-P energy: -12.232
tors. eta vs tors. theta energy: -17.788
Dist. restrs. and SS energy: -36.000 (S_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: 246
Temperature: 1.300000
Total energy: -241.934067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.934067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.934067 (E_RNA)
where:
Base-Base interactions energy: -128.498
where: short stacking energy: -61.873
Base-Backbone interact. energy: -0.475
local terms energy: -76.960639
where:
bonds (distance) C4'-P energy: -19.449
bonds (distance) P-C4' energy: -18.089
flat angles C4'-P-C4' energy: -20.172
flat angles P-C4'-P energy: -9.134
tors. eta vs tors. theta energy: -10.117
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -247.403511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.403511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.403511 (E_RNA)
where:
Base-Base interactions energy: -139.075
where: short stacking energy: -52.125
Base-Backbone interact. energy: -0.970
local terms energy: -71.357625
where:
bonds (distance) C4'-P energy: -19.536
bonds (distance) P-C4' energy: -19.045
flat angles C4'-P-C4' energy: -13.275
flat angles P-C4'-P energy: -12.874
tors. eta vs tors. theta energy: -6.627
Dist. restrs. and SS energy: -36.000 (S_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: 247
Temperature: 0.900000
Total energy: -408.726964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.726964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.326964 (E_RNA)
where:
Base-Base interactions energy: -251.854
where: short stacking energy: -100.219
Base-Backbone interact. energy: -0.675
local terms energy: -105.798088
where:
bonds (distance) C4'-P energy: -19.983
bonds (distance) P-C4' energy: -22.505
flat angles C4'-P-C4' energy: -20.588
flat angles P-C4'-P energy: -12.966
tors. eta vs tors. theta energy: -29.756
Dist. restrs. and SS energy: -50.400 (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: 8
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -409.882394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.882394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.282394 (E_RNA)
where:
Base-Base interactions energy: -249.064
where: short stacking energy: -91.789
Base-Backbone interact. energy: -0.721
local terms energy: -111.497281
where:
bonds (distance) C4'-P energy: -23.420
bonds (distance) P-C4' energy: -21.187
flat angles C4'-P-C4' energy: -21.287
flat angles P-C4'-P energy: -19.150
tors. eta vs tors. theta energy: -26.453
Dist. restrs. and SS energy: -48.600 (S_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: 247
Temperature: 1.000000
Total energy: -388.090428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.090428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.290428 (E_RNA)
where:
Base-Base interactions energy: -234.697
where: short stacking energy: -95.443
Base-Backbone interact. energy: -1.289
local terms energy: -105.303980
where:
bonds (distance) C4'-P energy: -20.336
bonds (distance) P-C4' energy: -24.646
flat angles C4'-P-C4' energy: -19.401
flat angles P-C4'-P energy: -12.340
tors. eta vs tors. theta energy: -28.582
Dist. restrs. and SS energy: -46.800 (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: 5
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -392.244122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.244122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.844122 (E_RNA)
where:
Base-Base interactions energy: -233.556
where: short stacking energy: -91.069
Base-Backbone interact. energy: -0.120
local terms energy: -108.167480
where:
bonds (distance) C4'-P energy: -23.766
bonds (distance) P-C4' energy: -20.615
flat angles C4'-P-C4' energy: -21.072
flat angles P-C4'-P energy: -18.156
tors. eta vs tors. theta energy: -24.559
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -282.786981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.786981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.586981 (E_RNA)
where:
Base-Base interactions energy: -161.061
where: short stacking energy: -77.041
Base-Backbone interact. energy: 0.483
local terms energy: -88.009074
where:
bonds (distance) C4'-P energy: -21.377
bonds (distance) P-C4' energy: -14.188
flat angles C4'-P-C4' energy: -19.242
flat angles P-C4'-P energy: -13.615
tors. eta vs tors. theta energy: -19.587
Dist. restrs. and SS energy: -34.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -309.508728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.508728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.308728 (E_RNA)
where:
Base-Base interactions energy: -178.803
where: short stacking energy: -75.771
Base-Backbone interact. energy: -0.168
local terms energy: -96.337449
where:
bonds (distance) C4'-P energy: -23.965
bonds (distance) P-C4' energy: -17.375
flat angles C4'-P-C4' energy: -22.253
flat angles P-C4'-P energy: -16.394
tors. eta vs tors. theta energy: -16.350
Dist. restrs. and SS energy: -34.200 (S_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: 247
Temperature: 1.200000
Total energy: -302.435156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.435156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.435156 (E_RNA)
where:
Base-Base interactions energy: -168.805
where: short stacking energy: -65.017
Base-Backbone interact. energy: -0.244
local terms energy: -97.385554
where:
bonds (distance) C4'-P energy: -22.091
bonds (distance) P-C4' energy: -23.589
flat angles C4'-P-C4' energy: -18.230
flat angles P-C4'-P energy: -12.657
tors. eta vs tors. theta energy: -20.819
Dist. restrs. and SS energy: -36.000 (S_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: 247
Temperature: 1.250000
Total energy: -283.444045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.444045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.444045 (E_RNA)
where:
Base-Base interactions energy: -166.228
where: short stacking energy: -80.687
Base-Backbone interact. energy: 2.374
local terms energy: -83.590429
where:
bonds (distance) C4'-P energy: -16.439
bonds (distance) P-C4' energy: -15.131
flat angles C4'-P-C4' energy: -22.568
flat angles P-C4'-P energy: -14.494
tors. eta vs tors. theta energy: -14.958
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -271.401204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.401204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.401204 (E_RNA)
where:
Base-Base interactions energy: -149.508
where: short stacking energy: -66.495
Base-Backbone interact. energy: -1.441
local terms energy: -84.452579
where:
bonds (distance) C4'-P energy: -20.405
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -18.950
flat angles P-C4'-P energy: -11.066
tors. eta vs tors. theta energy: -18.069
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -239.503265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.503265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.503265 (E_RNA)
where:
Base-Base interactions energy: -122.412
where: short stacking energy: -56.108
Base-Backbone interact. energy: -0.340
local terms energy: -80.751401
where:
bonds (distance) C4'-P energy: -17.897
bonds (distance) P-C4' energy: -22.017
flat angles C4'-P-C4' energy: -20.255
flat angles P-C4'-P energy: -11.073
tors. eta vs tors. theta energy: -9.509
Dist. restrs. and SS energy: -36.000 (S_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: 248
Temperature: 0.900000
Total energy: -423.378748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.378748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.578748 (E_RNA)
where:
Base-Base interactions energy: -254.485
where: short stacking energy: -95.349
Base-Backbone interact. energy: -0.164
local terms energy: -121.930614
where:
bonds (distance) C4'-P energy: -24.163
bonds (distance) P-C4' energy: -24.063
flat angles C4'-P-C4' energy: -26.158
flat angles P-C4'-P energy: -18.529
tors. eta vs tors. theta energy: -29.017
Dist. restrs. and SS energy: -46.800 (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: 1
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -407.317189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.317189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.717189 (E_RNA)
where:
Base-Base interactions energy: -242.036
where: short stacking energy: -101.021
Base-Backbone interact. energy: -0.206
local terms energy: -116.475004
where:
bonds (distance) C4'-P energy: -21.986
bonds (distance) P-C4' energy: -19.621
flat angles C4'-P-C4' energy: -23.050
flat angles P-C4'-P energy: -19.175
tors. eta vs tors. theta energy: -32.644
Dist. restrs. and SS energy: -48.600 (S_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: 248
Temperature: 1.000000
Total energy: -397.675257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.675257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.275257 (E_RNA)
where:
Base-Base interactions energy: -244.586
where: short stacking energy: -95.451
Base-Backbone interact. energy: 1.461
local terms energy: -104.149590
where:
bonds (distance) C4'-P energy: -21.217
bonds (distance) P-C4' energy: -21.834
flat angles C4'-P-C4' energy: -19.005
flat angles P-C4'-P energy: -17.671
tors. eta vs tors. theta energy: -24.423
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -387.996056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.996056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.596056 (E_RNA)
where:
Base-Base interactions energy: -236.078
where: short stacking energy: -82.062
Base-Backbone interact. energy: -0.635
local terms energy: -100.883456
where:
bonds (distance) C4'-P energy: -17.909
bonds (distance) P-C4' energy: -21.906
flat angles C4'-P-C4' energy: -21.111
flat angles P-C4'-P energy: -13.071
tors. eta vs tors. theta energy: -26.887
Dist. restrs. and SS energy: -50.400 (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: 4
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -303.921985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.921985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.721985 (E_RNA)
where:
Base-Base interactions energy: -167.359
where: short stacking energy: -91.153
Base-Backbone interact. energy: -0.163
local terms energy: -102.200319
where:
bonds (distance) C4'-P energy: -15.226
bonds (distance) P-C4' energy: -22.408
flat angles C4'-P-C4' energy: -24.351
flat angles P-C4'-P energy: -17.010
tors. eta vs tors. theta energy: -23.206
Dist. restrs. and SS energy: -34.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -267.938536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.938536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.738536 (E_RNA)
where:
Base-Base interactions energy: -152.166
where: short stacking energy: -67.364
Base-Backbone interact. energy: 0.529
local terms energy: -82.101682
where:
bonds (distance) C4'-P energy: -23.791
bonds (distance) P-C4' energy: -20.305
flat angles C4'-P-C4' energy: -18.196
flat angles P-C4'-P energy: -11.104
tors. eta vs tors. theta energy: -8.705
Dist. restrs. and SS energy: -34.200 (S_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: 248
Temperature: 1.200000
Total energy: -286.145998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.145998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.145998 (E_RNA)
where:
Base-Base interactions energy: -162.829
where: short stacking energy: -80.937
Base-Backbone interact. energy: -0.139
local terms energy: -87.178373
where:
bonds (distance) C4'-P energy: -21.208
bonds (distance) P-C4' energy: -21.505
flat angles C4'-P-C4' energy: -17.297
flat angles P-C4'-P energy: -10.506
tors. eta vs tors. theta energy: -16.662
Dist. restrs. and SS energy: -36.000 (S_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: 248
Temperature: 1.250000
Total energy: -277.908964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.908964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.908964 (E_RNA)
where:
Base-Base interactions energy: -151.685
where: short stacking energy: -59.549
Base-Backbone interact. energy: -0.130
local terms energy: -90.093908
where:
bonds (distance) C4'-P energy: -21.302
bonds (distance) P-C4' energy: -25.666
flat angles C4'-P-C4' energy: -19.039
flat angles P-C4'-P energy: -11.657
tors. eta vs tors. theta energy: -12.430
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -243.297221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.297221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.297221 (E_RNA)
where:
Base-Base interactions energy: -126.383
where: short stacking energy: -56.158
Base-Backbone interact. energy: -0.976
local terms energy: -79.937630
where:
bonds (distance) C4'-P energy: -22.299
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -21.084
flat angles P-C4'-P energy: -15.219
tors. eta vs tors. theta energy: -5.809
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -263.872063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.872063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.672063 (E_RNA)
where:
Base-Base interactions energy: -157.704
where: short stacking energy: -65.729
Base-Backbone interact. energy: -0.618
local terms energy: -71.350380
where:
bonds (distance) C4'-P energy: -15.307
bonds (distance) P-C4' energy: -20.542
flat angles C4'-P-C4' energy: -17.177
flat angles P-C4'-P energy: -5.047
tors. eta vs tors. theta energy: -13.277
Dist. restrs. and SS energy: -34.200 (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: 8
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -411.156442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.156442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.756442 (E_RNA)
where:
Base-Base interactions energy: -247.990
where: short stacking energy: -97.326
Base-Backbone interact. energy: -2.377
local terms energy: -110.388965
where:
bonds (distance) C4'-P energy: -22.393
bonds (distance) P-C4' energy: -21.813
flat angles C4'-P-C4' energy: -22.775
flat angles P-C4'-P energy: -15.037
tors. eta vs tors. theta energy: -28.371
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -406.582620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.582620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.182620 (E_RNA)
where:
Base-Base interactions energy: -247.092
where: short stacking energy: -98.262
Base-Backbone interact. energy: -0.611
local terms energy: -108.479333
where:
bonds (distance) C4'-P energy: -22.369
bonds (distance) P-C4' energy: -16.509
flat angles C4'-P-C4' energy: -21.671
flat angles P-C4'-P energy: -19.319
tors. eta vs tors. theta energy: -28.611
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -406.919825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.919825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.119825 (E_RNA)
where:
Base-Base interactions energy: -253.260
where: short stacking energy: -98.715
Base-Backbone interact. energy: -1.181
local terms energy: -105.678591
where:
bonds (distance) C4'-P energy: -22.174
bonds (distance) P-C4' energy: -22.215
flat angles C4'-P-C4' energy: -22.150
flat angles P-C4'-P energy: -13.158
tors. eta vs tors. theta energy: -25.982
Dist. restrs. and SS energy: -46.800 (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: 5
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -395.074058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.074058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.674058 (E_RNA)
where:
Base-Base interactions energy: -237.745
where: short stacking energy: -96.510
Base-Backbone interact. energy: -0.918
local terms energy: -106.010716
where:
bonds (distance) C4'-P energy: -20.885
bonds (distance) P-C4' energy: -24.026
flat angles C4'-P-C4' energy: -22.899
flat angles P-C4'-P energy: -14.275
tors. eta vs tors. theta energy: -23.926
Dist. restrs. and SS energy: -50.400 (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: 4
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -315.902463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.902463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.902463 (E_RNA)
where:
Base-Base interactions energy: -178.415
where: short stacking energy: -85.749
Base-Backbone interact. energy: 0.711
local terms energy: -102.198196
where:
bonds (distance) C4'-P energy: -13.852
bonds (distance) P-C4' energy: -23.853
flat angles C4'-P-C4' energy: -25.106
flat angles P-C4'-P energy: -16.589
tors. eta vs tors. theta energy: -22.797
Dist. restrs. and SS energy: -36.000 (S_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: 249
Temperature: 1.150000
Total energy: -291.944371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.944371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.944371 (E_RNA)
where:
Base-Base interactions energy: -160.741
where: short stacking energy: -83.251
Base-Backbone interact. energy: -0.430
local terms energy: -94.773761
where:
bonds (distance) C4'-P energy: -17.700
bonds (distance) P-C4' energy: -22.595
flat angles C4'-P-C4' energy: -20.089
flat angles P-C4'-P energy: -14.510
tors. eta vs tors. theta energy: -19.880
Dist. restrs. and SS energy: -36.000 (S_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: 249
Temperature: 1.200000
Total energy: -266.342095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.342095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.342095 (E_RNA)
where:
Base-Base interactions energy: -147.959
where: short stacking energy: -73.491
Base-Backbone interact. energy: -0.434
local terms energy: -81.949856
where:
bonds (distance) C4'-P energy: -13.339
bonds (distance) P-C4' energy: -22.455
flat angles C4'-P-C4' energy: -19.514
flat angles P-C4'-P energy: -12.859
tors. eta vs tors. theta energy: -13.783
Dist. restrs. and SS energy: -36.000 (S_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: 249
Temperature: 1.250000
Total energy: -250.894214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.894214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.894214 (E_RNA)
where:
Base-Base interactions energy: -134.471
where: short stacking energy: -59.310
Base-Backbone interact. energy: -0.571
local terms energy: -79.852072
where:
bonds (distance) C4'-P energy: -17.355
bonds (distance) P-C4' energy: -24.617
flat angles C4'-P-C4' energy: -16.742
flat angles P-C4'-P energy: -12.281
tors. eta vs tors. theta energy: -8.857
Dist. restrs. and SS energy: -36.000 (S_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: 249
Temperature: 1.300000
Total energy: -267.496797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.496797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.496797 (E_RNA)
where:
Base-Base interactions energy: -154.913
where: short stacking energy: -63.426
Base-Backbone interact. energy: 0.629
local terms energy: -77.212573
where:
bonds (distance) C4'-P energy: -20.303
bonds (distance) P-C4' energy: -20.027
flat angles C4'-P-C4' energy: -16.085
flat angles P-C4'-P energy: -12.444
tors. eta vs tors. theta energy: -8.354
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -258.930641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.930641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.930641 (E_RNA)
where:
Base-Base interactions energy: -159.344
where: short stacking energy: -70.832
Base-Backbone interact. energy: -0.526
local terms energy: -63.060895
where:
bonds (distance) C4'-P energy: -22.672
bonds (distance) P-C4' energy: -8.695
flat angles C4'-P-C4' energy: -16.352
flat angles P-C4'-P energy: -1.220
tors. eta vs tors. theta energy: -14.122
Dist. restrs. and SS energy: -36.000 (S_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: 250
Temperature: 0.900000
Total energy: -414.022623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.022623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.622623 (E_RNA)
where:
Base-Base interactions energy: -253.727
where: short stacking energy: -97.197
Base-Backbone interact. energy: -0.326
local terms energy: -109.569263
where:
bonds (distance) C4'-P energy: -20.065
bonds (distance) P-C4' energy: -26.615
flat angles C4'-P-C4' energy: -20.514
flat angles P-C4'-P energy: -16.306
tors. eta vs tors. theta energy: -26.069
Dist. restrs. and SS energy: -50.400 (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: 8
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -402.485715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.485715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.085715 (E_RNA)
where:
Base-Base interactions energy: -239.995
where: short stacking energy: -94.926
Base-Backbone interact. energy: -0.902
local terms energy: -111.188311
where:
bonds (distance) C4'-P energy: -18.940
bonds (distance) P-C4' energy: -23.550
flat angles C4'-P-C4' energy: -22.919
flat angles P-C4'-P energy: -15.620
tors. eta vs tors. theta energy: -30.159
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -397.507878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.507878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.107878 (E_RNA)
where:
Base-Base interactions energy: -241.098
where: short stacking energy: -89.631
Base-Backbone interact. energy: -0.725
local terms energy: -105.284182
where:
bonds (distance) C4'-P energy: -24.863
bonds (distance) P-C4' energy: -22.394
flat angles C4'-P-C4' energy: -16.766
flat angles P-C4'-P energy: -15.762
tors. eta vs tors. theta energy: -25.499
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -399.787969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.787969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.387969 (E_RNA)
where:
Base-Base interactions energy: -243.429
where: short stacking energy: -100.497
Base-Backbone interact. energy: -0.617
local terms energy: -105.342019
where:
bonds (distance) C4'-P energy: -16.944
bonds (distance) P-C4' energy: -21.227
flat angles C4'-P-C4' energy: -22.739
flat angles P-C4'-P energy: -15.387
tors. eta vs tors. theta energy: -29.045
Dist. restrs. and SS energy: -50.400 (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: 4
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -323.869532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.869532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.669532 (E_RNA)
where:
Base-Base interactions energy: -190.499
where: short stacking energy: -80.571
Base-Backbone interact. energy: -0.278
local terms energy: -98.892018
where:
bonds (distance) C4'-P energy: -20.765
bonds (distance) P-C4' energy: -21.138
flat angles C4'-P-C4' energy: -23.159
flat angles P-C4'-P energy: -17.545
tors. eta vs tors. theta energy: -16.285
Dist. restrs. and SS energy: -34.200 (S_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: 250
Temperature: 1.150000
Total energy: -296.378838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.378838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.378838 (E_RNA)
where:
Base-Base interactions energy: -161.225
where: short stacking energy: -75.598
Base-Backbone interact. energy: -0.417
local terms energy: -98.736968
where:
bonds (distance) C4'-P energy: -15.819
bonds (distance) P-C4' energy: -21.351
flat angles C4'-P-C4' energy: -21.648
flat angles P-C4'-P energy: -19.373
tors. eta vs tors. theta energy: -20.547
Dist. restrs. and SS energy: -36.000 (S_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: 250
Temperature: 1.200000
Total energy: -289.526381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.526381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.526381 (E_RNA)
where:
Base-Base interactions energy: -165.919
where: short stacking energy: -78.330
Base-Backbone interact. energy: -0.216
local terms energy: -87.391223
where:
bonds (distance) C4'-P energy: -15.039
bonds (distance) P-C4' energy: -20.327
flat angles C4'-P-C4' energy: -21.457
flat angles P-C4'-P energy: -15.493
tors. eta vs tors. theta energy: -15.074
Dist. restrs. and SS energy: -36.000 (S_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: 250
Temperature: 1.250000
Total energy: -264.223736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.223736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.023736 (E_RNA)
where:
Base-Base interactions energy: -146.269
where: short stacking energy: -68.629
Base-Backbone interact. energy: -0.059
local terms energy: -83.695724
where:
bonds (distance) C4'-P energy: -11.420
bonds (distance) P-C4' energy: -21.456
flat angles C4'-P-C4' energy: -22.137
flat angles P-C4'-P energy: -15.408
tors. eta vs tors. theta energy: -13.274
Dist. restrs. and SS energy: -34.200 (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: 2
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -256.916696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.916696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.916696 (E_RNA)
where:
Base-Base interactions energy: -131.704
where: short stacking energy: -58.205
Base-Backbone interact. energy: -0.225
local terms energy: -88.987827
where:
bonds (distance) C4'-P energy: -23.909
bonds (distance) P-C4' energy: -18.111
flat angles C4'-P-C4' energy: -15.622
flat angles P-C4'-P energy: -18.680
tors. eta vs tors. theta energy: -12.666
Dist. restrs. and SS energy: -36.000 (S_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: 250
Temperature: 1.350000
Total energy: -274.048640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.048640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.048640 (E_RNA)
where:
Base-Base interactions energy: -149.730
where: short stacking energy: -68.209
Base-Backbone interact. energy: -0.288
local terms energy: -88.030161
where:
bonds (distance) C4'-P energy: -19.113
bonds (distance) P-C4' energy: -18.513
flat angles C4'-P-C4' energy: -23.377
flat angles P-C4'-P energy: -11.166
tors. eta vs tors. theta energy: -15.862
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -414.513734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.513734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.113734 (E_RNA)
where:
Base-Base interactions energy: -252.019
where: short stacking energy: -101.847
Base-Backbone interact. energy: -0.684
local terms energy: -111.410330
where:
bonds (distance) C4'-P energy: -25.108
bonds (distance) P-C4' energy: -22.463
flat angles C4'-P-C4' energy: -21.194
flat angles P-C4'-P energy: -15.481
tors. eta vs tors. theta energy: -27.164
Dist. restrs. and SS energy: -50.400 (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: 8
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -415.697212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.697212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.297212 (E_RNA)
where:
Base-Base interactions energy: -254.897
where: short stacking energy: -91.800
Base-Backbone interact. energy: -0.020
local terms energy: -110.379889
where:
bonds (distance) C4'-P energy: -20.275
bonds (distance) P-C4' energy: -25.674
flat angles C4'-P-C4' energy: -21.490
flat angles P-C4'-P energy: -12.883
tors. eta vs tors. theta energy: -30.058
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -386.204118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.204118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.804118 (E_RNA)
where:
Base-Base interactions energy: -239.861
where: short stacking energy: -97.769
Base-Backbone interact. energy: -2.111
local terms energy: -93.832290
where:
bonds (distance) C4'-P energy: -19.627
bonds (distance) P-C4' energy: -18.915
flat angles C4'-P-C4' energy: -16.926
flat angles P-C4'-P energy: -12.702
tors. eta vs tors. theta energy: -25.663
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -397.245665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.245665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.845665 (E_RNA)
where:
Base-Base interactions energy: -236.337
where: short stacking energy: -97.329
Base-Backbone interact. energy: -0.776
local terms energy: -109.732773
where:
bonds (distance) C4'-P energy: -16.670
bonds (distance) P-C4' energy: -25.632
flat angles C4'-P-C4' energy: -21.815
flat angles P-C4'-P energy: -17.943
tors. eta vs tors. theta energy: -27.673
Dist. restrs. and SS energy: -50.400 (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: 4
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -318.302777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.302777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.302777 (E_RNA)
where:
Base-Base interactions energy: -177.025
where: short stacking energy: -80.676
Base-Backbone interact. energy: -0.130
local terms energy: -105.147711
where:
bonds (distance) C4'-P energy: -15.892
bonds (distance) P-C4' energy: -27.420
flat angles C4'-P-C4' energy: -22.569
flat angles P-C4'-P energy: -18.590
tors. eta vs tors. theta energy: -20.676
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -285.897069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.897069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.897069 (E_RNA)
where:
Base-Base interactions energy: -168.098
where: short stacking energy: -53.971
Base-Backbone interact. energy: -0.446
local terms energy: -81.353373
where:
bonds (distance) C4'-P energy: -16.745
bonds (distance) P-C4' energy: -19.137
flat angles C4'-P-C4' energy: -20.068
flat angles P-C4'-P energy: -14.508
tors. eta vs tors. theta energy: -10.895
Dist. restrs. and SS energy: -36.000 (S_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: 251
Temperature: 1.200000
Total energy: -285.773870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.773870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.573870 (E_RNA)
where:
Base-Base interactions energy: -162.607
where: short stacking energy: -83.349
Base-Backbone interact. energy: -0.152
local terms energy: -88.814285
where:
bonds (distance) C4'-P energy: -17.855
bonds (distance) P-C4' energy: -20.597
flat angles C4'-P-C4' energy: -18.678
flat angles P-C4'-P energy: -10.370
tors. eta vs tors. theta energy: -21.314
Dist. restrs. and SS energy: -34.200 (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: 2
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -254.706151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.706151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.706151 (E_RNA)
where:
Base-Base interactions energy: -129.832
where: short stacking energy: -56.992
Base-Backbone interact. energy: 0.473
local terms energy: -89.347678
where:
bonds (distance) C4'-P energy: -21.076
bonds (distance) P-C4' energy: -23.548
flat angles C4'-P-C4' energy: -23.151
flat angles P-C4'-P energy: -16.767
tors. eta vs tors. theta energy: -4.807
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -240.796905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.796905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.796905 (E_RNA)
where:
Base-Base interactions energy: -131.380
where: short stacking energy: -62.012
Base-Backbone interact. energy: -0.375
local terms energy: -73.041542
where:
bonds (distance) C4'-P energy: -18.675
bonds (distance) P-C4' energy: -22.613
flat angles C4'-P-C4' energy: -11.335
flat angles P-C4'-P energy: -14.136
tors. eta vs tors. theta energy: -6.283
Dist. restrs. and SS energy: -36.000 (S_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: 251
Temperature: 1.350000
Total energy: -265.464576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.464576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.264576 (E_RNA)
where:
Base-Base interactions energy: -150.079
where: short stacking energy: -71.763
Base-Backbone interact. energy: -0.019
local terms energy: -81.166792
where:
bonds (distance) C4'-P energy: -17.855
bonds (distance) P-C4' energy: -21.655
flat angles C4'-P-C4' energy: -16.203
flat angles P-C4'-P energy: -9.469
tors. eta vs tors. theta energy: -15.986
Dist. restrs. and SS energy: -34.200 (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: 8
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -407.362619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.362619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.962619 (E_RNA)
where:
Base-Base interactions energy: -242.438
where: short stacking energy: -93.384
Base-Backbone interact. energy: -0.642
local terms energy: -113.882231
where:
bonds (distance) C4'-P energy: -21.936
bonds (distance) P-C4' energy: -23.578
flat angles C4'-P-C4' energy: -22.312
flat angles P-C4'-P energy: -18.999
tors. eta vs tors. theta energy: -27.057
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -402.892630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.892630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.492630 (E_RNA)
where:
Base-Base interactions energy: -243.672
where: short stacking energy: -94.616
Base-Backbone interact. energy: -1.277
local terms energy: -107.543335
where:
bonds (distance) C4'-P energy: -20.985
bonds (distance) P-C4' energy: -20.582
flat angles C4'-P-C4' energy: -23.396
flat angles P-C4'-P energy: -13.694
tors. eta vs tors. theta energy: -28.886
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -400.601206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.601206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.001206 (E_RNA)
where:
Base-Base interactions energy: -243.852
where: short stacking energy: -104.757
Base-Backbone interact. energy: -1.662
local terms energy: -106.487556
where:
bonds (distance) C4'-P energy: -21.693
bonds (distance) P-C4' energy: -18.667
flat angles C4'-P-C4' energy: -21.766
flat angles P-C4'-P energy: -16.596
tors. eta vs tors. theta energy: -27.766
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -392.770758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.770758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.370758 (E_RNA)
where:
Base-Base interactions energy: -233.188
where: short stacking energy: -96.471
Base-Backbone interact. energy: -0.400
local terms energy: -108.782558
where:
bonds (distance) C4'-P energy: -17.259
bonds (distance) P-C4' energy: -19.310
flat angles C4'-P-C4' energy: -26.184
flat angles P-C4'-P energy: -14.967
tors. eta vs tors. theta energy: -31.063
Dist. restrs. and SS energy: -50.400 (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: 4
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -315.157546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.157546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.157546 (E_RNA)
where:
Base-Base interactions energy: -182.714
where: short stacking energy: -93.766
Base-Backbone interact. energy: -0.380
local terms energy: -96.063120
where:
bonds (distance) C4'-P energy: -23.154
bonds (distance) P-C4' energy: -20.435
flat angles C4'-P-C4' energy: -23.060
flat angles P-C4'-P energy: -10.870
tors. eta vs tors. theta energy: -18.543
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -271.015411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.015411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.015411 (E_RNA)
where:
Base-Base interactions energy: -153.675
where: short stacking energy: -77.055
Base-Backbone interact. energy: 0.785
local terms energy: -82.125046
where:
bonds (distance) C4'-P energy: -19.842
bonds (distance) P-C4' energy: -22.284
flat angles C4'-P-C4' energy: -17.439
flat angles P-C4'-P energy: -13.273
tors. eta vs tors. theta energy: -9.288
Dist. restrs. and SS energy: -36.000 (S_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: 252
Temperature: 1.200000
Total energy: -263.295024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.295024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.095024 (E_RNA)
where:
Base-Base interactions energy: -144.168
where: short stacking energy: -71.365
Base-Backbone interact. energy: -0.387
local terms energy: -84.539267
where:
bonds (distance) C4'-P energy: -20.931
bonds (distance) P-C4' energy: -21.016
flat angles C4'-P-C4' energy: -17.677
flat angles P-C4'-P energy: -11.559
tors. eta vs tors. theta energy: -13.356
Dist. restrs. and SS energy: -34.200 (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: 7
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -293.423306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.423306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.423306 (E_RNA)
where:
Base-Base interactions energy: -164.851
where: short stacking energy: -78.734
Base-Backbone interact. energy: 0.285
local terms energy: -92.856979
where:
bonds (distance) C4'-P energy: -21.092
bonds (distance) P-C4' energy: -18.405
flat angles C4'-P-C4' energy: -20.224
flat angles P-C4'-P energy: -15.248
tors. eta vs tors. theta energy: -17.888
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -258.950107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.950107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.750107 (E_RNA)
where:
Base-Base interactions energy: -147.746
where: short stacking energy: -68.321
Base-Backbone interact. energy: -0.813
local terms energy: -76.191397
where:
bonds (distance) C4'-P energy: -16.476
bonds (distance) P-C4' energy: -10.076
flat angles C4'-P-C4' energy: -20.323
flat angles P-C4'-P energy: -13.860
tors. eta vs tors. theta energy: -15.458
Dist. restrs. and SS energy: -34.200 (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: 6
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -273.832873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.832873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.432873 (E_RNA)
where:
Base-Base interactions energy: -160.465
where: short stacking energy: -62.907
Base-Backbone interact. energy: -0.340
local terms energy: -71.628177
where:
bonds (distance) C4'-P energy: -18.977
bonds (distance) P-C4' energy: -19.779
flat angles C4'-P-C4' energy: -15.271
flat angles P-C4'-P energy: -7.478
tors. eta vs tors. theta energy: -10.123
Dist. restrs. and SS energy: -41.400 (S_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: 253
Temperature: 0.900000
Total energy: -406.916503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.916503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.516503 (E_RNA)
where:
Base-Base interactions energy: -246.361
where: short stacking energy: -91.397
Base-Backbone interact. energy: -0.315
local terms energy: -109.840823
where:
bonds (distance) C4'-P energy: -23.659
bonds (distance) P-C4' energy: -20.348
flat angles C4'-P-C4' energy: -20.048
flat angles P-C4'-P energy: -19.605
tors. eta vs tors. theta energy: -26.181
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -414.285775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.285775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.685775 (E_RNA)
where:
Base-Base interactions energy: -252.544
where: short stacking energy: -106.828
Base-Backbone interact. energy: -0.571
local terms energy: -112.569862
where:
bonds (distance) C4'-P energy: -15.112
bonds (distance) P-C4' energy: -22.695
flat angles C4'-P-C4' energy: -24.108
flat angles P-C4'-P energy: -17.834
tors. eta vs tors. theta energy: -32.821
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -405.285690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.285690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.885690 (E_RNA)
where:
Base-Base interactions energy: -239.848
where: short stacking energy: -98.450
Base-Backbone interact. energy: -0.657
local terms energy: -114.380568
where:
bonds (distance) C4'-P energy: -20.911
bonds (distance) P-C4' energy: -20.331
flat angles C4'-P-C4' energy: -24.727
flat angles P-C4'-P energy: -19.164
tors. eta vs tors. theta energy: -29.247
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -389.048190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.048190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.648190 (E_RNA)
where:
Base-Base interactions energy: -238.607
where: short stacking energy: -93.433
Base-Backbone interact. energy: -0.667
local terms energy: -99.373892
where:
bonds (distance) C4'-P energy: -16.689
bonds (distance) P-C4' energy: -18.595
flat angles C4'-P-C4' energy: -23.790
flat angles P-C4'-P energy: -18.697
tors. eta vs tors. theta energy: -21.603
Dist. restrs. and SS energy: -50.400 (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: 4
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -309.566483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.566483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.766483 (E_RNA)
where:
Base-Base interactions energy: -174.152
where: short stacking energy: -88.575
Base-Backbone interact. energy: 2.370
local terms energy: -99.985078
where:
bonds (distance) C4'-P energy: -16.927
bonds (distance) P-C4' energy: -21.166
flat angles C4'-P-C4' energy: -20.468
flat angles P-C4'-P energy: -16.950
tors. eta vs tors. theta energy: -24.473
Dist. restrs. and SS energy: -37.800 (S_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: 253
Temperature: 1.150000
Total energy: -286.684894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.684894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.684894 (E_RNA)
where:
Base-Base interactions energy: -153.845
where: short stacking energy: -63.707
Base-Backbone interact. energy: 0.770
local terms energy: -97.609306
where:
bonds (distance) C4'-P energy: -25.571
bonds (distance) P-C4' energy: -21.766
flat angles C4'-P-C4' energy: -15.424
flat angles P-C4'-P energy: -18.793
tors. eta vs tors. theta energy: -16.055
Dist. restrs. and SS energy: -36.000 (S_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: 253
Temperature: 1.200000
Total energy: -254.256392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.256392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.256392 (E_RNA)
where:
Base-Base interactions energy: -133.581
where: short stacking energy: -61.678
Base-Backbone interact. energy: -0.631
local terms energy: -84.043806
where:
bonds (distance) C4'-P energy: -21.714
bonds (distance) P-C4' energy: -19.551
flat angles C4'-P-C4' energy: -20.520
flat angles P-C4'-P energy: -14.430
tors. eta vs tors. theta energy: -7.829
Dist. restrs. and SS energy: -36.000 (S_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: 253
Temperature: 1.250000
Total energy: -288.568769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.568769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.568769 (E_RNA)
where:
Base-Base interactions energy: -174.064
where: short stacking energy: -75.210
Base-Backbone interact. energy: -0.372
local terms energy: -78.132443
where:
bonds (distance) C4'-P energy: -20.214
bonds (distance) P-C4' energy: -18.450
flat angles C4'-P-C4' energy: -16.604
flat angles P-C4'-P energy: -9.976
tors. eta vs tors. theta energy: -12.889
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -270.570069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.570069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.570069 (E_RNA)
where:
Base-Base interactions energy: -147.009
where: short stacking energy: -58.133
Base-Backbone interact. energy: -0.707
local terms energy: -86.854796
where:
bonds (distance) C4'-P energy: -21.629
bonds (distance) P-C4' energy: -15.294
flat angles C4'-P-C4' energy: -25.923
flat angles P-C4'-P energy: -10.552
tors. eta vs tors. theta energy: -13.456
Dist. restrs. and SS energy: -36.000 (S_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: 253
Temperature: 1.350000
Total energy: -263.914753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.914753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.714753 (E_RNA)
where:
Base-Base interactions energy: -136.785
where: short stacking energy: -62.850
Base-Backbone interact. energy: -0.661
local terms energy: -92.268867
where:
bonds (distance) C4'-P energy: -17.838
bonds (distance) P-C4' energy: -23.500
flat angles C4'-P-C4' energy: -22.016
flat angles P-C4'-P energy: -15.772
tors. eta vs tors. theta energy: -13.142
Dist. restrs. and SS energy: -34.200 (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: 10
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -416.579651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.579651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.779651 (E_RNA)
where:
Base-Base interactions energy: -252.707
where: short stacking energy: -98.862
Base-Backbone interact. energy: -1.112
local terms energy: -115.960904
where:
bonds (distance) C4'-P energy: -25.531
bonds (distance) P-C4' energy: -21.309
flat angles C4'-P-C4' energy: -22.730
flat angles P-C4'-P energy: -14.808
tors. eta vs tors. theta energy: -31.583
Dist. restrs. and SS energy: -46.800 (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: 8
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -408.719341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.719341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.319341 (E_RNA)
where:
Base-Base interactions energy: -245.169
where: short stacking energy: -91.068
Base-Backbone interact. energy: -0.173
local terms energy: -112.976636
where:
bonds (distance) C4'-P energy: -27.736
bonds (distance) P-C4' energy: -21.947
flat angles C4'-P-C4' energy: -19.140
flat angles P-C4'-P energy: -17.901
tors. eta vs tors. theta energy: -26.254
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -392.183889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.183889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.783889 (E_RNA)
where:
Base-Base interactions energy: -228.981
where: short stacking energy: -91.012
Base-Backbone interact. energy: -0.834
local terms energy: -111.968428
where:
bonds (distance) C4'-P energy: -19.838
bonds (distance) P-C4' energy: -26.826
flat angles C4'-P-C4' energy: -20.321
flat angles P-C4'-P energy: -19.826
tors. eta vs tors. theta energy: -25.157
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -393.835214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.835214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.035214 (E_RNA)
where:
Base-Base interactions energy: -229.946
where: short stacking energy: -91.962
Base-Backbone interact. energy: -0.820
local terms energy: -116.269085
where:
bonds (distance) C4'-P energy: -23.850
bonds (distance) P-C4' energy: -23.698
flat angles C4'-P-C4' energy: -23.913
flat angles P-C4'-P energy: -14.499
tors. eta vs tors. theta energy: -30.309
Dist. restrs. and SS energy: -46.800 (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: 4
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -330.697344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.697344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.897344 (E_RNA)
where:
Base-Base interactions energy: -186.970
where: short stacking energy: -92.288
Base-Backbone interact. energy: -0.180
local terms energy: -105.746568
where:
bonds (distance) C4'-P energy: -24.997
bonds (distance) P-C4' energy: -19.800
flat angles C4'-P-C4' energy: -22.611
flat angles P-C4'-P energy: -11.865
tors. eta vs tors. theta energy: -26.473
Dist. restrs. and SS energy: -37.800 (S_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: 254
Temperature: 1.150000
Total energy: -298.681587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.681587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.681587 (E_RNA)
where:
Base-Base interactions energy: -163.534
where: short stacking energy: -75.686
Base-Backbone interact. energy: -0.243
local terms energy: -98.904247
where:
bonds (distance) C4'-P energy: -22.819
bonds (distance) P-C4' energy: -21.415
flat angles C4'-P-C4' energy: -21.538
flat angles P-C4'-P energy: -19.291
tors. eta vs tors. theta energy: -13.842
Dist. restrs. and SS energy: -36.000 (S_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: 254
Temperature: 1.200000
Total energy: -308.349215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.349215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.549215 (E_RNA)
where:
Base-Base interactions energy: -177.646
where: short stacking energy: -69.734
Base-Backbone interact. energy: -0.084
local terms energy: -92.818965
where:
bonds (distance) C4'-P energy: -21.114
bonds (distance) P-C4' energy: -20.322
flat angles C4'-P-C4' energy: -21.715
flat angles P-C4'-P energy: -12.495
tors. eta vs tors. theta energy: -17.172
Dist. restrs. and SS energy: -37.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -250.827218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.827218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.627218 (E_RNA)
where:
Base-Base interactions energy: -136.019
where: short stacking energy: -56.337
Base-Backbone interact. energy: 1.612
local terms energy: -82.220414
where:
bonds (distance) C4'-P energy: -21.632
bonds (distance) P-C4' energy: -23.556
flat angles C4'-P-C4' energy: -14.527
flat angles P-C4'-P energy: -14.523
tors. eta vs tors. theta energy: -7.983
Dist. restrs. and SS energy: -34.200 (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: 6
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -257.349905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.349905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.149905 (E_RNA)
where:
Base-Base interactions energy: -153.906
where: short stacking energy: -62.024
Base-Backbone interact. energy: -0.016
local terms energy: -60.227964
where:
bonds (distance) C4'-P energy: -11.489
bonds (distance) P-C4' energy: -8.515
flat angles C4'-P-C4' energy: -18.508
flat angles P-C4'-P energy: -12.921
tors. eta vs tors. theta energy: -8.795
Dist. restrs. and SS energy: -43.200 (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: 9
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -271.236584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.236584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.236584 (E_RNA)
where:
Base-Base interactions energy: -159.615
where: short stacking energy: -68.318
Base-Backbone interact. energy: -0.781
local terms energy: -74.840510
where:
bonds (distance) C4'-P energy: -12.965
bonds (distance) P-C4' energy: -22.453
flat angles C4'-P-C4' energy: -15.888
flat angles P-C4'-P energy: -10.486
tors. eta vs tors. theta energy: -13.049
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -411.836813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.836813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.436813 (E_RNA)
where:
Base-Base interactions energy: -245.970
where: short stacking energy: -93.792
Base-Backbone interact. energy: -0.621
local terms energy: -114.845662
where:
bonds (distance) C4'-P energy: -23.128
bonds (distance) P-C4' energy: -24.486
flat angles C4'-P-C4' energy: -21.819
flat angles P-C4'-P energy: -13.509
tors. eta vs tors. theta energy: -31.904
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -415.036636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.036636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.636636 (E_RNA)
where:
Base-Base interactions energy: -245.660
where: short stacking energy: -101.892
Base-Backbone interact. energy: -0.652
local terms energy: -118.324548
where:
bonds (distance) C4'-P energy: -24.616
bonds (distance) P-C4' energy: -22.837
flat angles C4'-P-C4' energy: -26.528
flat angles P-C4'-P energy: -14.641
tors. eta vs tors. theta energy: -29.703
Dist. restrs. and SS energy: -50.400 (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: 255
Temperature: 1.000000
Total energy: -403.889945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.889945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.489945 (E_RNA)
where:
Base-Base interactions energy: -245.386
where: short stacking energy: -88.697
Base-Backbone interact. energy: -0.827
local terms energy: -107.276964
where:
bonds (distance) C4'-P energy: -17.101
bonds (distance) P-C4' energy: -23.458
flat angles C4'-P-C4' energy: -23.419
flat angles P-C4'-P energy: -17.190
tors. eta vs tors. theta energy: -26.109
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -393.938439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.938439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.538439 (E_RNA)
where:
Base-Base interactions energy: -243.221
where: short stacking energy: -93.345
Base-Backbone interact. energy: -1.025
local terms energy: -99.291971
where:
bonds (distance) C4'-P energy: -19.440
bonds (distance) P-C4' energy: -18.781
flat angles C4'-P-C4' energy: -20.642
flat angles P-C4'-P energy: -14.300
tors. eta vs tors. theta energy: -26.129
Dist. restrs. and SS energy: -50.400 (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: 4
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -323.156536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.156536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.356536 (E_RNA)
where:
Base-Base interactions energy: -192.960
where: short stacking energy: -79.247
Base-Backbone interact. energy: -0.531
local terms energy: -91.864679
where:
bonds (distance) C4'-P energy: -23.809
bonds (distance) P-C4' energy: -20.027
flat angles C4'-P-C4' energy: -19.824
flat angles P-C4'-P energy: -10.592
tors. eta vs tors. theta energy: -17.613
Dist. restrs. and SS energy: -37.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -307.253578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.253578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.053578 (E_RNA)
where:
Base-Base interactions energy: -174.897
where: short stacking energy: -72.722
Base-Backbone interact. energy: -0.813
local terms energy: -88.343111
where:
bonds (distance) C4'-P energy: -19.795
bonds (distance) P-C4' energy: -21.569
flat angles C4'-P-C4' energy: -17.917
flat angles P-C4'-P energy: -16.096
tors. eta vs tors. theta energy: -12.967
Dist. restrs. and SS energy: -43.200 (S_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: 255
Temperature: 1.200000
Total energy: -298.476540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.476540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.476540 (E_RNA)
where:
Base-Base interactions energy: -156.573
where: short stacking energy: -74.568
Base-Backbone interact. energy: -1.471
local terms energy: -104.433011
where:
bonds (distance) C4'-P energy: -22.470
bonds (distance) P-C4' energy: -23.486
flat angles C4'-P-C4' energy: -22.614
flat angles P-C4'-P energy: -13.148
tors. eta vs tors. theta energy: -22.715
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -274.971679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.971679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.771679 (E_RNA)
where:
Base-Base interactions energy: -162.138
where: short stacking energy: -71.971
Base-Backbone interact. energy: -0.156
local terms energy: -78.476958
where:
bonds (distance) C4'-P energy: -17.602
bonds (distance) P-C4' energy: -19.692
flat angles C4'-P-C4' energy: -19.721
flat angles P-C4'-P energy: -11.242
tors. eta vs tors. theta energy: -10.219
Dist. restrs. and SS energy: -34.200 (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: 3
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -264.732461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.732461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.732461 (E_RNA)
where:
Base-Base interactions energy: -147.427
where: short stacking energy: -61.205
Base-Backbone interact. energy: -0.191
local terms energy: -81.114687
where:
bonds (distance) C4'-P energy: -14.335
bonds (distance) P-C4' energy: -20.663
flat angles C4'-P-C4' energy: -18.846
flat angles P-C4'-P energy: -12.625
tors. eta vs tors. theta energy: -14.646
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -262.968486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.968486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.968486 (E_RNA)
where:
Base-Base interactions energy: -145.183
where: short stacking energy: -61.880
Base-Backbone interact. energy: 2.134
local terms energy: -83.919664
where:
bonds (distance) C4'-P energy: -19.282
bonds (distance) P-C4' energy: -22.410
flat angles C4'-P-C4' energy: -16.532
flat angles P-C4'-P energy: -12.277
tors. eta vs tors. theta energy: -13.418
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -419.940203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.940203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.540203 (E_RNA)
where:
Base-Base interactions energy: -259.576
where: short stacking energy: -100.272
Base-Backbone interact. energy: -0.731
local terms energy: -109.232736
where:
bonds (distance) C4'-P energy: -23.854
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -24.254
flat angles P-C4'-P energy: -17.349
tors. eta vs tors. theta energy: -29.088
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -410.967367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.967367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.567367 (E_RNA)
where:
Base-Base interactions energy: -248.247
where: short stacking energy: -97.693
Base-Backbone interact. energy: -0.397
local terms energy: -111.923334
where:
bonds (distance) C4'-P energy: -19.970
bonds (distance) P-C4' energy: -23.034
flat angles C4'-P-C4' energy: -22.318
flat angles P-C4'-P energy: -15.331
tors. eta vs tors. theta energy: -31.270
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -396.468866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.468866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.068866 (E_RNA)
where:
Base-Base interactions energy: -243.908
where: short stacking energy: -82.582
Base-Backbone interact. energy: -0.687
local terms energy: -101.473561
where:
bonds (distance) C4'-P energy: -16.236
bonds (distance) P-C4' energy: -22.627
flat angles C4'-P-C4' energy: -21.188
flat angles P-C4'-P energy: -14.712
tors. eta vs tors. theta energy: -26.710
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -401.482602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.482602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.082602 (E_RNA)
where:
Base-Base interactions energy: -245.558
where: short stacking energy: -90.322
Base-Backbone interact. energy: -0.444
local terms energy: -105.080117
where:
bonds (distance) C4'-P energy: -22.047
bonds (distance) P-C4' energy: -23.412
flat angles C4'-P-C4' energy: -19.957
flat angles P-C4'-P energy: -14.327
tors. eta vs tors. theta energy: -25.337
Dist. restrs. and SS energy: -50.400 (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: 4
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -318.153559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.153559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.753559 (E_RNA)
where:
Base-Base interactions energy: -191.332
where: short stacking energy: -73.665
Base-Backbone interact. energy: -1.132
local terms energy: -84.289697
where:
bonds (distance) C4'-P energy: -20.488
bonds (distance) P-C4' energy: -22.698
flat angles C4'-P-C4' energy: -14.933
flat angles P-C4'-P energy: -7.743
tors. eta vs tors. theta energy: -18.427
Dist. restrs. and SS energy: -41.400 (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: 7
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -286.464963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.464963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.464963 (E_RNA)
where:
Base-Base interactions energy: -164.305
where: short stacking energy: -83.572
Base-Backbone interact. energy: -0.171
local terms energy: -85.988804
where:
bonds (distance) C4'-P energy: -13.463
bonds (distance) P-C4' energy: -19.777
flat angles C4'-P-C4' energy: -19.025
flat angles P-C4'-P energy: -13.563
tors. eta vs tors. theta energy: -20.160
Dist. restrs. and SS energy: -36.000 (S_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: 256
Temperature: 1.200000
Total energy: -288.137767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.137767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.937767 (E_RNA)
where:
Base-Base interactions energy: -166.590
where: short stacking energy: -80.907
Base-Backbone interact. energy: -0.160
local terms energy: -87.187298
where:
bonds (distance) C4'-P energy: -21.250
bonds (distance) P-C4' energy: -19.175
flat angles C4'-P-C4' energy: -13.025
flat angles P-C4'-P energy: -15.287
tors. eta vs tors. theta energy: -18.449
Dist. restrs. and SS energy: -34.200 (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: 6
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -285.648530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.648530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.448530 (E_RNA)
where:
Base-Base interactions energy: -151.979
where: short stacking energy: -62.885
Base-Backbone interact. energy: -0.143
local terms energy: -90.325947
where:
bonds (distance) C4'-P energy: -20.447
bonds (distance) P-C4' energy: -23.613
flat angles C4'-P-C4' energy: -20.970
flat angles P-C4'-P energy: -10.325
tors. eta vs tors. theta energy: -14.971
Dist. restrs. and SS energy: -43.200 (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: 9
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -262.135174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.135174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.935174 (E_RNA)
where:
Base-Base interactions energy: -140.877
where: short stacking energy: -59.033
Base-Backbone interact. energy: -0.144
local terms energy: -86.913442
where:
bonds (distance) C4'-P energy: -23.267
bonds (distance) P-C4' energy: -16.545
flat angles C4'-P-C4' energy: -19.206
flat angles P-C4'-P energy: -16.398
tors. eta vs tors. theta energy: -11.497
Dist. restrs. and SS energy: -34.200 (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: 3
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -251.104283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.104283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.104283 (E_RNA)
where:
Base-Base interactions energy: -128.495
where: short stacking energy: -61.193
Base-Backbone interact. energy: -0.278
local terms energy: -86.331233
where:
bonds (distance) C4'-P energy: -22.376
bonds (distance) P-C4' energy: -22.369
flat angles C4'-P-C4' energy: -20.389
flat angles P-C4'-P energy: -10.541
tors. eta vs tors. theta energy: -10.656
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -416.380161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.380161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.380161 (E_RNA)
where:
Base-Base interactions energy: -252.530
where: short stacking energy: -101.216
Base-Backbone interact. energy: -1.044
local terms energy: -117.805557
where:
bonds (distance) C4'-P energy: -21.903
bonds (distance) P-C4' energy: -23.262
flat angles C4'-P-C4' energy: -21.414
flat angles P-C4'-P energy: -19.741
tors. eta vs tors. theta energy: -31.486
Dist. restrs. and SS energy: -45.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -418.151276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.151276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.551276 (E_RNA)
where:
Base-Base interactions energy: -251.657
where: short stacking energy: -99.558
Base-Backbone interact. energy: -1.366
local terms energy: -116.528448
where:
bonds (distance) C4'-P energy: -25.481
bonds (distance) P-C4' energy: -24.511
flat angles C4'-P-C4' energy: -22.303
flat angles P-C4'-P energy: -16.577
tors. eta vs tors. theta energy: -27.657
Dist. restrs. and SS energy: -48.600 (S_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: 257
Temperature: 1.000000
Total energy: -413.224834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.224834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.824834 (E_RNA)
where:
Base-Base interactions energy: -246.186
where: short stacking energy: -100.613
Base-Backbone interact. energy: -1.283
local terms energy: -115.356214
where:
bonds (distance) C4'-P energy: -22.923
bonds (distance) P-C4' energy: -23.924
flat angles C4'-P-C4' energy: -21.251
flat angles P-C4'-P energy: -16.489
tors. eta vs tors. theta energy: -30.769
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -394.246526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.246526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.846526 (E_RNA)
where:
Base-Base interactions energy: -238.748
where: short stacking energy: -90.702
Base-Backbone interact. energy: -0.391
local terms energy: -104.707983
where:
bonds (distance) C4'-P energy: -18.698
bonds (distance) P-C4' energy: -22.989
flat angles C4'-P-C4' energy: -23.853
flat angles P-C4'-P energy: -8.671
tors. eta vs tors. theta energy: -30.498
Dist. restrs. and SS energy: -50.400 (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: 4
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -284.834595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.834595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.834595 (E_RNA)
where:
Base-Base interactions energy: -154.301
where: short stacking energy: -71.062
Base-Backbone interact. energy: -1.313
local terms energy: -93.220337
where:
bonds (distance) C4'-P energy: -21.846
bonds (distance) P-C4' energy: -22.412
flat angles C4'-P-C4' energy: -22.348
flat angles P-C4'-P energy: -15.105
tors. eta vs tors. theta energy: -11.509
Dist. restrs. and SS energy: -36.000 (S_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: 257
Temperature: 1.150000
Total energy: -289.984641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.984641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.984641 (E_RNA)
where:
Base-Base interactions energy: -172.273
where: short stacking energy: -69.663
Base-Backbone interact. energy: -1.154
local terms energy: -80.557741
where:
bonds (distance) C4'-P energy: -22.097
bonds (distance) P-C4' energy: -18.344
flat angles C4'-P-C4' energy: -17.280
flat angles P-C4'-P energy: -11.879
tors. eta vs tors. theta energy: -10.957
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -291.688651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.688651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.688651 (E_RNA)
where:
Base-Base interactions energy: -171.612
where: short stacking energy: -81.955
Base-Backbone interact. energy: -0.143
local terms energy: -83.934115
where:
bonds (distance) C4'-P energy: -9.917
bonds (distance) P-C4' energy: -23.163
flat angles C4'-P-C4' energy: -17.314
flat angles P-C4'-P energy: -15.746
tors. eta vs tors. theta energy: -17.794
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -264.811921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.811921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.811921 (E_RNA)
where:
Base-Base interactions energy: -153.132
where: short stacking energy: -54.643
Base-Backbone interact. energy: -1.715
local terms energy: -73.965053
where:
bonds (distance) C4'-P energy: -13.897
bonds (distance) P-C4' energy: -22.845
flat angles C4'-P-C4' energy: -16.904
flat angles P-C4'-P energy: -12.105
tors. eta vs tors. theta energy: -8.214
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -254.242377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.242377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.242377 (E_RNA)
where:
Base-Base interactions energy: -139.849
where: short stacking energy: -60.791
Base-Backbone interact. energy: 3.592
local terms energy: -81.986344
where:
bonds (distance) C4'-P energy: -22.895
bonds (distance) P-C4' energy: -18.489
flat angles C4'-P-C4' energy: -21.167
flat angles P-C4'-P energy: -7.779
tors. eta vs tors. theta energy: -11.656
Dist. restrs. and SS energy: -36.000 (S_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: -260.815173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.815173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.815173 (E_RNA)
where:
Base-Base interactions energy: -140.065
where: short stacking energy: -56.783
Base-Backbone interact. energy: -0.184
local terms energy: -84.566694
where:
bonds (distance) C4'-P energy: -19.461
bonds (distance) P-C4' energy: -18.416
flat angles C4'-P-C4' energy: -23.238
flat angles P-C4'-P energy: -10.314
tors. eta vs tors. theta energy: -13.138
Dist. restrs. and SS energy: -36.000 (S_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: 258
Temperature: 0.900000
Total energy: -421.672144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.672144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.272144 (E_RNA)
where:
Base-Base interactions energy: -263.967
where: short stacking energy: -97.241
Base-Backbone interact. energy: 0.778
local terms energy: -108.082753
where:
bonds (distance) C4'-P energy: -23.129
bonds (distance) P-C4' energy: -23.720
flat angles C4'-P-C4' energy: -15.564
flat angles P-C4'-P energy: -19.091
tors. eta vs tors. theta energy: -26.578
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -412.611763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.611763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.211763 (E_RNA)
where:
Base-Base interactions energy: -254.833
where: short stacking energy: -102.842
Base-Backbone interact. energy: -0.985
local terms energy: -106.393356
where:
bonds (distance) C4'-P energy: -15.747
bonds (distance) P-C4' energy: -25.808
flat angles C4'-P-C4' energy: -18.261
flat angles P-C4'-P energy: -19.192
tors. eta vs tors. theta energy: -27.384
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -397.569287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.569287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.169287 (E_RNA)
where:
Base-Base interactions energy: -238.444
where: short stacking energy: -88.836
Base-Backbone interact. energy: -0.721
local terms energy: -108.005127
where:
bonds (distance) C4'-P energy: -23.993
bonds (distance) P-C4' energy: -24.375
flat angles C4'-P-C4' energy: -18.281
flat angles P-C4'-P energy: -15.676
tors. eta vs tors. theta energy: -25.681
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -382.598627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.598627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.198627 (E_RNA)
where:
Base-Base interactions energy: -236.957
where: short stacking energy: -78.293
Base-Backbone interact. energy: -1.212
local terms energy: -94.028865
where:
bonds (distance) C4'-P energy: -18.322
bonds (distance) P-C4' energy: -20.546
flat angles C4'-P-C4' energy: -22.973
flat angles P-C4'-P energy: -13.547
tors. eta vs tors. theta energy: -18.641
Dist. restrs. and SS energy: -50.400 (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: 258
Temperature: 1.100000
Total energy: -315.123513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.123513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.123513 (E_RNA)
where:
Base-Base interactions energy: -186.927
where: short stacking energy: -84.113
Base-Backbone interact. energy: -0.046
local terms energy: -92.150240
where:
bonds (distance) C4'-P energy: -23.925
bonds (distance) P-C4' energy: -22.232
flat angles C4'-P-C4' energy: -11.412
flat angles P-C4'-P energy: -15.514
tors. eta vs tors. theta energy: -19.067
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -297.938147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.938147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.938147 (E_RNA)
where:
Base-Base interactions energy: -169.491
where: short stacking energy: -84.842
Base-Backbone interact. energy: -0.246
local terms energy: -92.201473
where:
bonds (distance) C4'-P energy: -18.273
bonds (distance) P-C4' energy: -17.526
flat angles C4'-P-C4' energy: -20.241
flat angles P-C4'-P energy: -17.202
tors. eta vs tors. theta energy: -18.960
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -267.738854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.738854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.738854 (E_RNA)
where:
Base-Base interactions energy: -153.678
where: short stacking energy: -81.172
Base-Backbone interact. energy: 1.266
local terms energy: -79.326580
where:
bonds (distance) C4'-P energy: -18.688
bonds (distance) P-C4' energy: -15.109
flat angles C4'-P-C4' energy: -17.913
flat angles P-C4'-P energy: -14.878
tors. eta vs tors. theta energy: -12.739
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -289.267930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.267930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.267930 (E_RNA)
where:
Base-Base interactions energy: -164.920
where: short stacking energy: -72.982
Base-Backbone interact. energy: 2.008
local terms energy: -90.356402
where:
bonds (distance) C4'-P energy: -21.987
bonds (distance) P-C4' energy: -14.464
flat angles C4'-P-C4' energy: -21.858
flat angles P-C4'-P energy: -13.830
tors. eta vs tors. theta energy: -18.217
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -281.018102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.018102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.018102 (E_RNA)
where:
Base-Base interactions energy: -148.790
where: short stacking energy: -66.148
Base-Backbone interact. energy: -0.354
local terms energy: -95.874416
where:
bonds (distance) C4'-P energy: -19.151
bonds (distance) P-C4' energy: -20.241
flat angles C4'-P-C4' energy: -26.503
flat angles P-C4'-P energy: -10.845
tors. eta vs tors. theta energy: -19.135
Dist. restrs. and SS energy: -36.000 (S_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: 258
Temperature: 1.350000
Total energy: -261.363027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.363027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.363027 (E_RNA)
where:
Base-Base interactions energy: -144.913
where: short stacking energy: -66.445
Base-Backbone interact. energy: 0.009
local terms energy: -80.459277
where:
bonds (distance) C4'-P energy: -15.482
bonds (distance) P-C4' energy: -18.111
flat angles C4'-P-C4' energy: -22.291
flat angles P-C4'-P energy: -11.980
tors. eta vs tors. theta energy: -12.596
Dist. restrs. and SS energy: -36.000 (S_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: 259
Temperature: 0.900000
Total energy: -413.474762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.474762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.074762 (E_RNA)
where:
Base-Base interactions energy: -246.712
where: short stacking energy: -94.928
Base-Backbone interact. energy: -0.410
local terms energy: -115.952819
where:
bonds (distance) C4'-P energy: -22.873
bonds (distance) P-C4' energy: -25.708
flat angles C4'-P-C4' energy: -21.687
flat angles P-C4'-P energy: -17.915
tors. eta vs tors. theta energy: -27.770
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -402.375439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.375439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.975439 (E_RNA)
where:
Base-Base interactions energy: -232.206
where: short stacking energy: -95.460
Base-Backbone interact. energy: -0.464
local terms energy: -119.305480
where:
bonds (distance) C4'-P energy: -26.549
bonds (distance) P-C4' energy: -19.522
flat angles C4'-P-C4' energy: -26.220
flat angles P-C4'-P energy: -19.089
tors. eta vs tors. theta energy: -27.925
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -400.548991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.548991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.148991 (E_RNA)
where:
Base-Base interactions energy: -249.811
where: short stacking energy: -86.081
Base-Backbone interact. energy: -0.875
local terms energy: -99.462784
where:
bonds (distance) C4'-P energy: -19.546
bonds (distance) P-C4' energy: -21.134
flat angles C4'-P-C4' energy: -20.052
flat angles P-C4'-P energy: -15.572
tors. eta vs tors. theta energy: -23.159
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -359.783555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.783555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.383555 (E_RNA)
where:
Base-Base interactions energy: -229.352
where: short stacking energy: -87.933
Base-Backbone interact. energy: -0.103
local terms energy: -79.929177
where:
bonds (distance) C4'-P energy: -14.763
bonds (distance) P-C4' energy: -13.652
flat angles C4'-P-C4' energy: -24.405
flat angles P-C4'-P energy: -7.580
tors. eta vs tors. theta energy: -19.529
Dist. restrs. and SS energy: -50.400 (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: 259
Temperature: 1.100000
Total energy: -296.232270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.232270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.232270 (E_RNA)
where:
Base-Base interactions energy: -171.807
where: short stacking energy: -80.551
Base-Backbone interact. energy: -0.449
local terms energy: -87.976674
where:
bonds (distance) C4'-P energy: -20.931
bonds (distance) P-C4' energy: -19.139
flat angles C4'-P-C4' energy: -16.063
flat angles P-C4'-P energy: -12.037
tors. eta vs tors. theta energy: -19.806
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -300.953167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.953167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.753167 (E_RNA)
where:
Base-Base interactions energy: -168.219
where: short stacking energy: -73.528
Base-Backbone interact. energy: -1.055
local terms energy: -97.478565
where:
bonds (distance) C4'-P energy: -24.172
bonds (distance) P-C4' energy: -21.806
flat angles C4'-P-C4' energy: -18.054
flat angles P-C4'-P energy: -14.679
tors. eta vs tors. theta energy: -18.767
Dist. restrs. and SS energy: -34.200 (S_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: 259
Temperature: 1.200000
Total energy: -269.776556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.776556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.776556 (E_RNA)
where:
Base-Base interactions energy: -150.208
where: short stacking energy: -76.435
Base-Backbone interact. energy: -0.601
local terms energy: -82.967747
where:
bonds (distance) C4'-P energy: -15.813
bonds (distance) P-C4' energy: -19.541
flat angles C4'-P-C4' energy: -26.471
flat angles P-C4'-P energy: -11.053
tors. eta vs tors. theta energy: -10.091
Dist. restrs. and SS energy: -36.000 (S_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: 259
Temperature: 1.250000
Total energy: -273.653851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.653851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.653851 (E_RNA)
where:
Base-Base interactions energy: -155.751
where: short stacking energy: -64.768
Base-Backbone interact. energy: -0.215
local terms energy: -81.687899
where:
bonds (distance) C4'-P energy: -18.882
bonds (distance) P-C4' energy: -22.105
flat angles C4'-P-C4' energy: -18.563
flat angles P-C4'-P energy: -5.328
tors. eta vs tors. theta energy: -16.810
Dist. restrs. and SS energy: -36.000 (S_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: 259
Temperature: 1.300000
Total energy: -292.108907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.108907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.108907 (E_RNA)
where:
Base-Base interactions energy: -174.746
where: short stacking energy: -80.550
Base-Backbone interact. energy: 1.268
local terms energy: -82.631410
where:
bonds (distance) C4'-P energy: -16.387
bonds (distance) P-C4' energy: -22.416
flat angles C4'-P-C4' energy: -13.045
flat angles P-C4'-P energy: -18.138
tors. eta vs tors. theta energy: -12.646
Dist. restrs. and SS energy: -36.000 (S_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: 259
Temperature: 1.350000
Total energy: -274.169641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.169641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.169641 (E_RNA)
where:
Base-Base interactions energy: -161.948
where: short stacking energy: -67.149
Base-Backbone interact. energy: -0.515
local terms energy: -75.706966
where:
bonds (distance) C4'-P energy: -17.912
bonds (distance) P-C4' energy: -15.043
flat angles C4'-P-C4' energy: -12.387
flat angles P-C4'-P energy: -15.186
tors. eta vs tors. theta energy: -15.178
Dist. restrs. and SS energy: -36.000 (S_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: 260
Temperature: 0.900000
Total energy: -414.960953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.960953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.960953 (E_RNA)
where:
Base-Base interactions energy: -252.486
where: short stacking energy: -97.083
Base-Backbone interact. energy: -1.216
local terms energy: -116.258401
where:
bonds (distance) C4'-P energy: -23.399
bonds (distance) P-C4' energy: -24.246
flat angles C4'-P-C4' energy: -25.603
flat angles P-C4'-P energy: -15.403
tors. eta vs tors. theta energy: -27.607
Dist. restrs. and SS energy: -45.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -400.283541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.283541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.883541 (E_RNA)
where:
Base-Base interactions energy: -248.526
where: short stacking energy: -99.827
Base-Backbone interact. energy: -0.559
local terms energy: -100.798999
where:
bonds (distance) C4'-P energy: -19.706
bonds (distance) P-C4' energy: -19.692
flat angles C4'-P-C4' energy: -20.058
flat angles P-C4'-P energy: -15.585
tors. eta vs tors. theta energy: -25.758
Dist. restrs. and SS energy: -50.400 (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: 260
Temperature: 1.000000
Total energy: -371.661532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.661532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.261532 (E_RNA)
where:
Base-Base interactions energy: -225.265
where: short stacking energy: -88.762
Base-Backbone interact. energy: -0.459
local terms energy: -95.538018
where:
bonds (distance) C4'-P energy: -22.567
bonds (distance) P-C4' energy: -17.153
flat angles C4'-P-C4' energy: -19.168
flat angles P-C4'-P energy: -16.420
tors. eta vs tors. theta energy: -20.231
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -393.292695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.292695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.892695 (E_RNA)
where:
Base-Base interactions energy: -234.406
where: short stacking energy: -91.937
Base-Backbone interact. energy: -0.428
local terms energy: -108.058681
where:
bonds (distance) C4'-P energy: -19.184
bonds (distance) P-C4' energy: -24.305
flat angles C4'-P-C4' energy: -20.897
flat angles P-C4'-P energy: -17.101
tors. eta vs tors. theta energy: -26.571
Dist. restrs. and SS energy: -50.400 (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: 4
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -304.965359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.965359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.965359 (E_RNA)
where:
Base-Base interactions energy: -171.805
where: short stacking energy: -69.546
Base-Backbone interact. energy: -1.730
local terms energy: -95.429877
where:
bonds (distance) C4'-P energy: -15.540
bonds (distance) P-C4' energy: -20.047
flat angles C4'-P-C4' energy: -22.371
flat angles P-C4'-P energy: -15.807
tors. eta vs tors. theta energy: -21.666
Dist. restrs. and SS energy: -36.000 (S_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: 260
Temperature: 1.150000
Total energy: -307.101338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.101338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.101338 (E_RNA)
where:
Base-Base interactions energy: -168.173
where: short stacking energy: -84.712
Base-Backbone interact. energy: -0.131
local terms energy: -102.796853
where:
bonds (distance) C4'-P energy: -22.421
bonds (distance) P-C4' energy: -16.755
flat angles C4'-P-C4' energy: -23.221
flat angles P-C4'-P energy: -18.919
tors. eta vs tors. theta energy: -21.480
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -271.810985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.810985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.810985 (E_RNA)
where:
Base-Base interactions energy: -158.513
where: short stacking energy: -74.709
Base-Backbone interact. energy: 0.150
local terms energy: -77.447769
where:
bonds (distance) C4'-P energy: -18.705
bonds (distance) P-C4' energy: -14.717
flat angles C4'-P-C4' energy: -17.467
flat angles P-C4'-P energy: -14.612
tors. eta vs tors. theta energy: -11.947
Dist. restrs. and SS energy: -36.000 (S_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: 260
Temperature: 1.250000
Total energy: -269.547787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.547787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.547787 (E_RNA)
where:
Base-Base interactions energy: -148.942
where: short stacking energy: -73.615
Base-Backbone interact. energy: -0.209
local terms energy: -84.397078
where:
bonds (distance) C4'-P energy: -20.169
bonds (distance) P-C4' energy: -19.697
flat angles C4'-P-C4' energy: -18.196
flat angles P-C4'-P energy: -11.800
tors. eta vs tors. theta energy: -14.535
Dist. restrs. and SS energy: -36.000 (S_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: 260
Temperature: 1.300000
Total energy: -282.833522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.833522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.833522 (E_RNA)
where:
Base-Base interactions energy: -167.259
where: short stacking energy: -64.909
Base-Backbone interact. energy: -0.535
local terms energy: -79.038950
where:
bonds (distance) C4'-P energy: -14.251
bonds (distance) P-C4' energy: -24.009
flat angles C4'-P-C4' energy: -21.821
flat angles P-C4'-P energy: -8.773
tors. eta vs tors. theta energy: -10.184
Dist. restrs. and SS energy: -36.000 (S_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: 260
Temperature: 1.350000
Total energy: -266.458682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.458682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.258682 (E_RNA)
where:
Base-Base interactions energy: -142.366
where: short stacking energy: -61.886
Base-Backbone interact. energy: -0.145
local terms energy: -89.747966
where:
bonds (distance) C4'-P energy: -18.214
bonds (distance) P-C4' energy: -13.557
flat angles C4'-P-C4' energy: -23.599
flat angles P-C4'-P energy: -14.691
tors. eta vs tors. theta energy: -19.687
Dist. restrs. and SS energy: -34.200 (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: 261
Temperature: 0.900000
Total energy: -416.799223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.799223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.399223 (E_RNA)
where:
Base-Base interactions energy: -256.469
where: short stacking energy: -98.927
Base-Backbone interact. energy: -1.224
local terms energy: -108.706802
where:
bonds (distance) C4'-P energy: -21.486
bonds (distance) P-C4' energy: -21.777
flat angles C4'-P-C4' energy: -18.739
flat angles P-C4'-P energy: -15.949
tors. eta vs tors. theta energy: -30.756
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -405.100781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.100781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.700781 (E_RNA)
where:
Base-Base interactions energy: -241.905
where: short stacking energy: -103.886
Base-Backbone interact. energy: -1.037
local terms energy: -111.758250
where:
bonds (distance) C4'-P energy: -20.269
bonds (distance) P-C4' energy: -24.761
flat angles C4'-P-C4' energy: -23.076
flat angles P-C4'-P energy: -18.007
tors. eta vs tors. theta energy: -25.644
Dist. restrs. and SS energy: -50.400 (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: 261
Temperature: 1.000000
Total energy: -377.573334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.573334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.173334 (E_RNA)
where:
Base-Base interactions energy: -232.788
where: short stacking energy: -84.104
Base-Backbone interact. energy: -0.202
local terms energy: -94.183212
where:
bonds (distance) C4'-P energy: -16.873
bonds (distance) P-C4' energy: -22.855
flat angles C4'-P-C4' energy: -20.997
flat angles P-C4'-P energy: -15.725
tors. eta vs tors. theta energy: -17.733
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -395.873866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.873866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.473866 (E_RNA)
where:
Base-Base interactions energy: -238.173
where: short stacking energy: -84.622
Base-Backbone interact. energy: -0.273
local terms energy: -107.027506
where:
bonds (distance) C4'-P energy: -20.457
bonds (distance) P-C4' energy: -18.646
flat angles C4'-P-C4' energy: -23.593
flat angles P-C4'-P energy: -18.828
tors. eta vs tors. theta energy: -25.503
Dist. restrs. and SS energy: -50.400 (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: 4
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -307.651800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.651800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.651800 (E_RNA)
where:
Base-Base interactions energy: -166.951
where: short stacking energy: -72.018
Base-Backbone interact. energy: -0.229
local terms energy: -104.472315
where:
bonds (distance) C4'-P energy: -20.250
bonds (distance) P-C4' energy: -19.130
flat angles C4'-P-C4' energy: -26.293
flat angles P-C4'-P energy: -18.225
tors. eta vs tors. theta energy: -20.575
Dist. restrs. and SS energy: -36.000 (S_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: 261
Temperature: 1.150000
Total energy: -286.448410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.448410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.248410 (E_RNA)
where:
Base-Base interactions energy: -161.518
where: short stacking energy: -68.298
Base-Backbone interact. energy: -0.348
local terms energy: -90.382590
where:
bonds (distance) C4'-P energy: -23.198
bonds (distance) P-C4' energy: -23.238
flat angles C4'-P-C4' energy: -19.124
flat angles P-C4'-P energy: -8.826
tors. eta vs tors. theta energy: -15.996
Dist. restrs. and SS energy: -34.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -279.117890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.117890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.117890 (E_RNA)
where:
Base-Base interactions energy: -160.311
where: short stacking energy: -73.114
Base-Backbone interact. energy: -1.009
local terms energy: -81.798539
where:
bonds (distance) C4'-P energy: -18.985
bonds (distance) P-C4' energy: -21.859
flat angles C4'-P-C4' energy: -13.585
flat angles P-C4'-P energy: -13.986
tors. eta vs tors. theta energy: -13.385
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -274.580189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.580189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.580189 (E_RNA)
where:
Base-Base interactions energy: -152.749
where: short stacking energy: -66.017
Base-Backbone interact. energy: -2.106
local terms energy: -83.725223
where:
bonds (distance) C4'-P energy: -15.368
bonds (distance) P-C4' energy: -25.229
flat angles C4'-P-C4' energy: -19.390
flat angles P-C4'-P energy: -12.342
tors. eta vs tors. theta energy: -11.396
Dist. restrs. and SS energy: -36.000 (S_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: 261
Temperature: 1.300000
Total energy: -260.900452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.900452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.900452 (E_RNA)
where:
Base-Base interactions energy: -141.807
where: short stacking energy: -64.731
Base-Backbone interact. energy: -0.211
local terms energy: -82.882890
where:
bonds (distance) C4'-P energy: -20.869
bonds (distance) P-C4' energy: -26.072
flat angles C4'-P-C4' energy: -15.191
flat angles P-C4'-P energy: -8.391
tors. eta vs tors. theta energy: -12.359
Dist. restrs. and SS energy: -36.000 (S_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: 261
Temperature: 1.350000
Total energy: -254.091893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.091893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.891893 (E_RNA)
where:
Base-Base interactions energy: -133.078
where: short stacking energy: -62.877
Base-Backbone interact. energy: -0.364
local terms energy: -86.449967
where:
bonds (distance) C4'-P energy: -18.744
bonds (distance) P-C4' energy: -20.783
flat angles C4'-P-C4' energy: -21.732
flat angles P-C4'-P energy: -14.494
tors. eta vs tors. theta energy: -10.698
Dist. restrs. and SS energy: -34.200 (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: 262
Temperature: 0.900000
Total energy: -416.752985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.752985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.152985 (E_RNA)
where:
Base-Base interactions energy: -258.500
where: short stacking energy: -102.284
Base-Backbone interact. energy: -1.348
local terms energy: -108.305034
where:
bonds (distance) C4'-P energy: -20.753
bonds (distance) P-C4' energy: -21.432
flat angles C4'-P-C4' energy: -23.634
flat angles P-C4'-P energy: -14.841
tors. eta vs tors. theta energy: -27.645
Dist. restrs. and SS energy: -48.600 (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: 10
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -411.470092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.470092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.870092 (E_RNA)
where:
Base-Base interactions energy: -251.888
where: short stacking energy: -94.511
Base-Backbone interact. energy: -0.048
local terms energy: -110.934123
where:
bonds (distance) C4'-P energy: -22.958
bonds (distance) P-C4' energy: -26.509
flat angles C4'-P-C4' energy: -19.788
flat angles P-C4'-P energy: -15.825
tors. eta vs tors. theta energy: -25.853
Dist. restrs. and SS energy: -48.600 (S_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: 262
Temperature: 1.000000
Total energy: -406.503793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.503793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.103793 (E_RNA)
where:
Base-Base interactions energy: -245.555
where: short stacking energy: -103.391
Base-Backbone interact. energy: 0.873
local terms energy: -111.421187
where:
bonds (distance) C4'-P energy: -21.229
bonds (distance) P-C4' energy: -21.851
flat angles C4'-P-C4' energy: -23.357
flat angles P-C4'-P energy: -17.124
tors. eta vs tors. theta energy: -27.861
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -372.883847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.883847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.483847 (E_RNA)
where:
Base-Base interactions energy: -228.851
where: short stacking energy: -83.233
Base-Backbone interact. energy: -1.744
local terms energy: -91.888557
where:
bonds (distance) C4'-P energy: -21.219
bonds (distance) P-C4' energy: -21.188
flat angles C4'-P-C4' energy: -16.741
flat angles P-C4'-P energy: -11.929
tors. eta vs tors. theta energy: -20.811
Dist. restrs. and SS energy: -50.400 (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: 4
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -312.557349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.557349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.557349 (E_RNA)
where:
Base-Base interactions energy: -175.428
where: short stacking energy: -86.194
Base-Backbone interact. energy: -0.690
local terms energy: -100.439511
where:
bonds (distance) C4'-P energy: -23.917
bonds (distance) P-C4' energy: -24.906
flat angles C4'-P-C4' energy: -15.576
flat angles P-C4'-P energy: -13.555
tors. eta vs tors. theta energy: -22.486
Dist. restrs. and SS energy: -36.000 (S_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: 262
Temperature: 1.150000
Total energy: -284.923295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.923295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.923295 (E_RNA)
where:
Base-Base interactions energy: -164.890
where: short stacking energy: -65.042
Base-Backbone interact. energy: -0.296
local terms energy: -83.737214
where:
bonds (distance) C4'-P energy: -17.539
bonds (distance) P-C4' energy: -20.734
flat angles C4'-P-C4' energy: -20.795
flat angles P-C4'-P energy: -12.274
tors. eta vs tors. theta energy: -12.396
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -288.613826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.613826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.613826 (E_RNA)
where:
Base-Base interactions energy: -153.613
where: short stacking energy: -68.470
Base-Backbone interact. energy: -0.419
local terms energy: -98.581875
where:
bonds (distance) C4'-P energy: -21.701
bonds (distance) P-C4' energy: -19.107
flat angles C4'-P-C4' energy: -18.851
flat angles P-C4'-P energy: -17.666
tors. eta vs tors. theta energy: -21.258
Dist. restrs. and SS energy: -36.000 (S_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: 262
Temperature: 1.250000
Total energy: -266.137060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.137060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.137060 (E_RNA)
where:
Base-Base interactions energy: -139.837
where: short stacking energy: -69.429
Base-Backbone interact. energy: 2.226
local terms energy: -92.526069
where:
bonds (distance) C4'-P energy: -26.483
bonds (distance) P-C4' energy: -19.289
flat angles C4'-P-C4' energy: -16.734
flat angles P-C4'-P energy: -15.521
tors. eta vs tors. theta energy: -14.500
Dist. restrs. and SS energy: -36.000 (S_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: 262
Temperature: 1.300000
Total energy: -259.656360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.656360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.656360 (E_RNA)
where:
Base-Base interactions energy: -138.556
where: short stacking energy: -56.548
Base-Backbone interact. energy: -0.805
local terms energy: -84.295506
where:
bonds (distance) C4'-P energy: -21.244
bonds (distance) P-C4' energy: -21.949
flat angles C4'-P-C4' energy: -23.073
flat angles P-C4'-P energy: -7.836
tors. eta vs tors. theta energy: -10.193
Dist. restrs. and SS energy: -36.000 (S_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: 262
Temperature: 1.350000
Total energy: -241.807361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.807361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.807361 (E_RNA)
where:
Base-Base interactions energy: -131.563
where: short stacking energy: -62.260
Base-Backbone interact. energy: -0.176
local terms energy: -74.068733
where:
bonds (distance) C4'-P energy: -17.227
bonds (distance) P-C4' energy: -10.849
flat angles C4'-P-C4' energy: -19.255
flat angles P-C4'-P energy: -19.662
tors. eta vs tors. theta energy: -7.076
Dist. restrs. and SS energy: -36.000 (S_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: 263
Temperature: 0.900000
Total energy: -412.850600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.850600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.250600 (E_RNA)
where:
Base-Base interactions energy: -247.710
where: short stacking energy: -104.361
Base-Backbone interact. energy: -0.315
local terms energy: -116.225962
where:
bonds (distance) C4'-P energy: -19.742
bonds (distance) P-C4' energy: -25.728
flat angles C4'-P-C4' energy: -26.003
flat angles P-C4'-P energy: -15.499
tors. eta vs tors. theta energy: -29.254
Dist. restrs. and SS energy: -48.600 (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: 10
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -403.399502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.399502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.999502 (E_RNA)
where:
Base-Base interactions energy: -242.762
where: short stacking energy: -94.682
Base-Backbone interact. energy: -1.516
local terms energy: -108.721991
where:
bonds (distance) C4'-P energy: -26.337
bonds (distance) P-C4' energy: -21.856
flat angles C4'-P-C4' energy: -22.429
flat angles P-C4'-P energy: -12.401
tors. eta vs tors. theta energy: -25.699
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -403.796726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.796726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.396726 (E_RNA)
where:
Base-Base interactions energy: -252.721
where: short stacking energy: -90.045
Base-Backbone interact. energy: -0.440
local terms energy: -100.236139
where:
bonds (distance) C4'-P energy: -15.199
bonds (distance) P-C4' energy: -21.018
flat angles C4'-P-C4' energy: -20.508
flat angles P-C4'-P energy: -15.604
tors. eta vs tors. theta energy: -27.907
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -370.732887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.732887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.332887 (E_RNA)
where:
Base-Base interactions energy: -222.395
where: short stacking energy: -91.449
Base-Backbone interact. energy: -0.239
local terms energy: -97.698081
where:
bonds (distance) C4'-P energy: -21.038
bonds (distance) P-C4' energy: -20.428
flat angles C4'-P-C4' energy: -19.914
flat angles P-C4'-P energy: -11.920
tors. eta vs tors. theta energy: -24.398
Dist. restrs. and SS energy: -50.400 (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: 4
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -328.436496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.436496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.436496 (E_RNA)
where:
Base-Base interactions energy: -184.415
where: short stacking energy: -82.528
Base-Backbone interact. energy: -0.460
local terms energy: -107.560930
where:
bonds (distance) C4'-P energy: -23.216
bonds (distance) P-C4' energy: -24.092
flat angles C4'-P-C4' energy: -20.914
flat angles P-C4'-P energy: -14.572
tors. eta vs tors. theta energy: -24.767
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -303.658803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.658803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.658803 (E_RNA)
where:
Base-Base interactions energy: -163.943
where: short stacking energy: -80.337
Base-Backbone interact. energy: -0.077
local terms energy: -103.639081
where:
bonds (distance) C4'-P energy: -25.240
bonds (distance) P-C4' energy: -26.565
flat angles C4'-P-C4' energy: -19.353
flat angles P-C4'-P energy: -17.508
tors. eta vs tors. theta energy: -14.973
Dist. restrs. and SS energy: -36.000 (S_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: 263
Temperature: 1.200000
Total energy: -289.456260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.456260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.456260 (E_RNA)
where:
Base-Base interactions energy: -165.890
where: short stacking energy: -68.220
Base-Backbone interact. energy: 0.942
local terms energy: -88.508241
where:
bonds (distance) C4'-P energy: -22.198
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -15.484
flat angles P-C4'-P energy: -15.245
tors. eta vs tors. theta energy: -18.494
Dist. restrs. and SS energy: -36.000 (S_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: 263
Temperature: 1.250000
Total energy: -280.535617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.535617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.535617 (E_RNA)
where:
Base-Base interactions energy: -157.910
where: short stacking energy: -81.842
Base-Backbone interact. energy: -0.102
local terms energy: -86.523277
where:
bonds (distance) C4'-P energy: -16.308
bonds (distance) P-C4' energy: -26.271
flat angles C4'-P-C4' energy: -15.786
flat angles P-C4'-P energy: -10.119
tors. eta vs tors. theta energy: -18.039
Dist. restrs. and SS energy: -36.000 (S_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: 263
Temperature: 1.300000
Total energy: -275.964941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.964941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.964941 (E_RNA)
where:
Base-Base interactions energy: -158.488
where: short stacking energy: -63.431
Base-Backbone interact. energy: -1.028
local terms energy: -80.449135
where:
bonds (distance) C4'-P energy: -20.635
bonds (distance) P-C4' energy: -16.121
flat angles C4'-P-C4' energy: -17.272
flat angles P-C4'-P energy: -13.294
tors. eta vs tors. theta energy: -13.128
Dist. restrs. and SS energy: -36.000 (S_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: 263
Temperature: 1.350000
Total energy: -253.207659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.207659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.207659 (E_RNA)
where:
Base-Base interactions energy: -154.058
where: short stacking energy: -59.128
Base-Backbone interact. energy: 1.769
local terms energy: -64.918567
where:
bonds (distance) C4'-P energy: -17.825
bonds (distance) P-C4' energy: -20.162
flat angles C4'-P-C4' energy: -12.147
flat angles P-C4'-P energy: -9.254
tors. eta vs tors. theta energy: -5.529
Dist. restrs. and SS energy: -36.000 (S_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: 264
Temperature: 0.900000
Total energy: -404.633317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.633317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.233317 (E_RNA)
where:
Base-Base interactions energy: -239.203
where: short stacking energy: -94.943
Base-Backbone interact. energy: -0.993
local terms energy: -114.037702
where:
bonds (distance) C4'-P energy: -22.487
bonds (distance) P-C4' energy: -25.857
flat angles C4'-P-C4' energy: -25.699
flat angles P-C4'-P energy: -15.010
tors. eta vs tors. theta energy: -24.986
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -415.093359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.093359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.693359 (E_RNA)
where:
Base-Base interactions energy: -249.990
where: short stacking energy: -95.012
Base-Backbone interact. energy: -1.404
local terms energy: -113.300176
where:
bonds (distance) C4'-P energy: -21.183
bonds (distance) P-C4' energy: -23.309
flat angles C4'-P-C4' energy: -24.903
flat angles P-C4'-P energy: -16.483
tors. eta vs tors. theta energy: -27.422
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -407.240677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.240677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.840677 (E_RNA)
where:
Base-Base interactions energy: -246.222
where: short stacking energy: -101.526
Base-Backbone interact. energy: 1.173
local terms energy: -111.791178
where:
bonds (distance) C4'-P energy: -21.886
bonds (distance) P-C4' energy: -19.768
flat angles C4'-P-C4' energy: -23.223
flat angles P-C4'-P energy: -17.452
tors. eta vs tors. theta energy: -29.462
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -383.889669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.889669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.289669 (E_RNA)
where:
Base-Base interactions energy: -231.131
where: short stacking energy: -84.717
Base-Backbone interact. energy: -0.951
local terms energy: -103.207449
where:
bonds (distance) C4'-P energy: -23.464
bonds (distance) P-C4' energy: -22.787
flat angles C4'-P-C4' energy: -20.196
flat angles P-C4'-P energy: -16.970
tors. eta vs tors. theta energy: -19.791
Dist. restrs. and SS energy: -48.600 (S_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: 264
Temperature: 1.100000
Total energy: -308.806732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.806732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.806732 (E_RNA)
where:
Base-Base interactions energy: -176.430
where: short stacking energy: -87.147
Base-Backbone interact. energy: -0.274
local terms energy: -96.102890
where:
bonds (distance) C4'-P energy: -19.691
bonds (distance) P-C4' energy: -16.423
flat angles C4'-P-C4' energy: -24.511
flat angles P-C4'-P energy: -14.760
tors. eta vs tors. theta energy: -20.717
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -295.133696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.133696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.133696 (E_RNA)
where:
Base-Base interactions energy: -169.061
where: short stacking energy: -83.185
Base-Backbone interact. energy: 0.837
local terms energy: -90.909435
where:
bonds (distance) C4'-P energy: -17.449
bonds (distance) P-C4' energy: -18.761
flat angles C4'-P-C4' energy: -23.276
flat angles P-C4'-P energy: -9.985
tors. eta vs tors. theta energy: -21.437
Dist. restrs. and SS energy: -36.000 (S_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: 264
Temperature: 1.200000
Total energy: -268.535027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.535027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.335027 (E_RNA)
where:
Base-Base interactions energy: -142.770
where: short stacking energy: -70.297
Base-Backbone interact. energy: -0.155
local terms energy: -91.409714
where:
bonds (distance) C4'-P energy: -16.414
bonds (distance) P-C4' energy: -20.607
flat angles C4'-P-C4' energy: -23.225
flat angles P-C4'-P energy: -15.010
tors. eta vs tors. theta energy: -16.154
Dist. restrs. and SS energy: -34.200 (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: 2
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -281.285236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.285236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.285236 (E_RNA)
where:
Base-Base interactions energy: -158.813
where: short stacking energy: -74.953
Base-Backbone interact. energy: -0.670
local terms energy: -85.802587
where:
bonds (distance) C4'-P energy: -14.802
bonds (distance) P-C4' energy: -22.587
flat angles C4'-P-C4' energy: -23.820
flat angles P-C4'-P energy: -10.506
tors. eta vs tors. theta energy: -14.087
Dist. restrs. and SS energy: -36.000 (S_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: 264
Temperature: 1.300000
Total energy: -255.888978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.888978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.888978 (E_RNA)
where:
Base-Base interactions energy: -138.075
where: short stacking energy: -67.646
Base-Backbone interact. energy: -0.338
local terms energy: -81.476152
where:
bonds (distance) C4'-P energy: -18.256
bonds (distance) P-C4' energy: -23.533
flat angles C4'-P-C4' energy: -18.592
flat angles P-C4'-P energy: -4.551
tors. eta vs tors. theta energy: -16.543
Dist. restrs. and SS energy: -36.000 (S_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: 264
Temperature: 1.350000
Total energy: -262.065632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.065632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.065632 (E_RNA)
where:
Base-Base interactions energy: -151.758
where: short stacking energy: -66.027
Base-Backbone interact. energy: -0.395
local terms energy: -73.911814
where:
bonds (distance) C4'-P energy: -18.095
bonds (distance) P-C4' energy: -12.630
flat angles C4'-P-C4' energy: -17.931
flat angles P-C4'-P energy: -16.521
tors. eta vs tors. theta energy: -8.735
Dist. restrs. and SS energy: -36.000 (S_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: 265
Temperature: 0.900000
Total energy: -418.558069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.558069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.958069 (E_RNA)
where:
Base-Base interactions energy: -253.449
where: short stacking energy: -98.420
Base-Backbone interact. energy: 0.075
local terms energy: -116.583781
where:
bonds (distance) C4'-P energy: -22.043
bonds (distance) P-C4' energy: -27.312
flat angles C4'-P-C4' energy: -24.958
flat angles P-C4'-P energy: -14.274
tors. eta vs tors. theta energy: -27.997
Dist. restrs. and SS energy: -48.600 (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: 10
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -399.488855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.488855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.088855 (E_RNA)
where:
Base-Base interactions energy: -241.783
where: short stacking energy: -88.547
Base-Backbone interact. energy: -0.915
local terms energy: -106.390760
where:
bonds (distance) C4'-P energy: -24.467
bonds (distance) P-C4' energy: -20.740
flat angles C4'-P-C4' energy: -23.423
flat angles P-C4'-P energy: -10.754
tors. eta vs tors. theta energy: -27.006
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -402.034649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.034649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.434649 (E_RNA)
where:
Base-Base interactions energy: -240.528
where: short stacking energy: -84.456
Base-Backbone interact. energy: -1.721
local terms energy: -111.185042
where:
bonds (distance) C4'-P energy: -22.644
bonds (distance) P-C4' energy: -24.938
flat angles C4'-P-C4' energy: -22.134
flat angles P-C4'-P energy: -14.090
tors. eta vs tors. theta energy: -27.379
Dist. restrs. and SS energy: -48.600 (S_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: 265
Temperature: 1.050000
Total energy: -383.692170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.692170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.292170 (E_RNA)
where:
Base-Base interactions energy: -232.712
where: short stacking energy: -90.283
Base-Backbone interact. energy: -0.531
local terms energy: -100.049096
where:
bonds (distance) C4'-P energy: -16.605
bonds (distance) P-C4' energy: -23.192
flat angles C4'-P-C4' energy: -21.189
flat angles P-C4'-P energy: -14.983
tors. eta vs tors. theta energy: -24.080
Dist. restrs. and SS energy: -50.400 (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: 4
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -315.043666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.043666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.043666 (E_RNA)
where:
Base-Base interactions energy: -186.833
where: short stacking energy: -99.587
Base-Backbone interact. energy: -0.414
local terms energy: -91.796951
where:
bonds (distance) C4'-P energy: -16.818
bonds (distance) P-C4' energy: -22.178
flat angles C4'-P-C4' energy: -19.208
flat angles P-C4'-P energy: -10.718
tors. eta vs tors. theta energy: -22.875
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -294.410008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.410008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.210008 (E_RNA)
where:
Base-Base interactions energy: -166.481
where: short stacking energy: -83.495
Base-Backbone interact. energy: -0.143
local terms energy: -93.585653
where:
bonds (distance) C4'-P energy: -21.275
bonds (distance) P-C4' energy: -18.596
flat angles C4'-P-C4' energy: -22.406
flat angles P-C4'-P energy: -16.193
tors. eta vs tors. theta energy: -15.114
Dist. restrs. and SS energy: -34.200 (S_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: 265
Temperature: 1.200000
Total energy: -266.563323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.563323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.363323 (E_RNA)
where:
Base-Base interactions energy: -143.572
where: short stacking energy: -57.070
Base-Backbone interact. energy: -0.079
local terms energy: -88.712393
where:
bonds (distance) C4'-P energy: -22.487
bonds (distance) P-C4' energy: -19.575
flat angles C4'-P-C4' energy: -20.797
flat angles P-C4'-P energy: -15.486
tors. eta vs tors. theta energy: -10.368
Dist. restrs. and SS energy: -34.200 (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: 6
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -283.162450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.162450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.162450 (E_RNA)
where:
Base-Base interactions energy: -167.756
where: short stacking energy: -74.732
Base-Backbone interact. energy: 0.913
local terms energy: -80.319583
where:
bonds (distance) C4'-P energy: -14.239
bonds (distance) P-C4' energy: -19.275
flat angles C4'-P-C4' energy: -19.211
flat angles P-C4'-P energy: -15.997
tors. eta vs tors. theta energy: -11.597
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -280.488744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.488744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.488744 (E_RNA)
where:
Base-Base interactions energy: -163.004
where: short stacking energy: -71.110
Base-Backbone interact. energy: -0.123
local terms energy: -81.361562
where:
bonds (distance) C4'-P energy: -19.198
bonds (distance) P-C4' energy: -18.137
flat angles C4'-P-C4' energy: -14.548
flat angles P-C4'-P energy: -13.033
tors. eta vs tors. theta energy: -16.445
Dist. restrs. and SS energy: -36.000 (S_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: 265
Temperature: 1.350000
Total energy: -239.778018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.778018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.578018 (E_RNA)
where:
Base-Base interactions energy: -126.796
where: short stacking energy: -58.946
Base-Backbone interact. energy: -0.220
local terms energy: -78.561393
where:
bonds (distance) C4'-P energy: -18.390
bonds (distance) P-C4' energy: -16.351
flat angles C4'-P-C4' energy: -25.580
flat angles P-C4'-P energy: -12.746
tors. eta vs tors. theta energy: -5.494
Dist. restrs. and SS energy: -34.200 (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: 10
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -406.092771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.092771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.492771 (E_RNA)
where:
Base-Base interactions energy: -250.512
where: short stacking energy: -90.144
Base-Backbone interact. energy: 0.562
local terms energy: -107.542785
where:
bonds (distance) C4'-P energy: -23.301
bonds (distance) P-C4' energy: -25.433
flat angles C4'-P-C4' energy: -25.027
flat angles P-C4'-P energy: -14.058
tors. eta vs tors. theta energy: -19.724
Dist. restrs. and SS energy: -48.600 (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: 1
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -409.529100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.529100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.129100 (E_RNA)
where:
Base-Base interactions energy: -252.600
where: short stacking energy: -98.942
Base-Backbone interact. energy: -0.393
local terms energy: -106.136798
where:
bonds (distance) C4'-P energy: -20.892
bonds (distance) P-C4' energy: -22.277
flat angles C4'-P-C4' energy: -19.546
flat angles P-C4'-P energy: -15.586
tors. eta vs tors. theta energy: -27.835
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -403.439900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.439900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.039900 (E_RNA)
where:
Base-Base interactions energy: -246.108
where: short stacking energy: -87.078
Base-Backbone interact. energy: -1.816
local terms energy: -105.115619
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -22.969
flat angles C4'-P-C4' energy: -25.371
flat angles P-C4'-P energy: -13.818
tors. eta vs tors. theta energy: -28.693
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -391.530544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.530544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.130544 (E_RNA)
where:
Base-Base interactions energy: -239.732
where: short stacking energy: -91.848
Base-Backbone interact. energy: -0.919
local terms energy: -100.479089
where:
bonds (distance) C4'-P energy: -24.287
bonds (distance) P-C4' energy: -18.344
flat angles C4'-P-C4' energy: -20.782
flat angles P-C4'-P energy: -15.356
tors. eta vs tors. theta energy: -21.709
Dist. restrs. and SS energy: -50.400 (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: 9
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -319.970625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.970625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.970625 (E_RNA)
where:
Base-Base interactions energy: -193.782
where: short stacking energy: -77.117
Base-Backbone interact. energy: -0.261
local terms energy: -89.927309
where:
bonds (distance) C4'-P energy: -14.608
bonds (distance) P-C4' energy: -25.448
flat angles C4'-P-C4' energy: -20.968
flat angles P-C4'-P energy: -12.067
tors. eta vs tors. theta energy: -16.836
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -298.181125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.181125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.181125 (E_RNA)
where:
Base-Base interactions energy: -161.669
where: short stacking energy: -75.064
Base-Backbone interact. energy: -0.657
local terms energy: -99.855631
where:
bonds (distance) C4'-P energy: -23.862
bonds (distance) P-C4' energy: -16.601
flat angles C4'-P-C4' energy: -24.010
flat angles P-C4'-P energy: -15.026
tors. eta vs tors. theta energy: -20.356
Dist. restrs. and SS energy: -36.000 (S_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: -292.229792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.229792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.229792 (E_RNA)
where:
Base-Base interactions energy: -168.871
where: short stacking energy: -86.768
Base-Backbone interact. energy: -0.023
local terms energy: -87.335730
where:
bonds (distance) C4'-P energy: -18.016
bonds (distance) P-C4' energy: -17.486
flat angles C4'-P-C4' energy: -19.095
flat angles P-C4'-P energy: -12.580
tors. eta vs tors. theta energy: -20.159
Dist. restrs. and SS energy: -36.000 (S_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: 266
Temperature: 1.250000
Total energy: -272.075654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.075654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.075654 (E_RNA)
where:
Base-Base interactions energy: -146.866
where: short stacking energy: -69.787
Base-Backbone interact. energy: -0.387
local terms energy: -88.822211
where:
bonds (distance) C4'-P energy: -24.885
bonds (distance) P-C4' energy: -14.491
flat angles C4'-P-C4' energy: -20.189
flat angles P-C4'-P energy: -15.723
tors. eta vs tors. theta energy: -13.535
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -277.970550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.970550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.970550 (E_RNA)
where:
Base-Base interactions energy: -147.186
where: short stacking energy: -71.538
Base-Backbone interact. energy: 0.279
local terms energy: -95.063261
where:
bonds (distance) C4'-P energy: -20.901
bonds (distance) P-C4' energy: -19.776
flat angles C4'-P-C4' energy: -24.101
flat angles P-C4'-P energy: -9.873
tors. eta vs tors. theta energy: -20.413
Dist. restrs. and SS energy: -36.000 (S_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: 266
Temperature: 1.350000
Total energy: -242.633140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.633140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.433140 (E_RNA)
where:
Base-Base interactions energy: -138.401
where: short stacking energy: -69.283
Base-Backbone interact. energy: -0.402
local terms energy: -69.629751
where:
bonds (distance) C4'-P energy: -22.332
bonds (distance) P-C4' energy: -16.253
flat angles C4'-P-C4' energy: -12.329
flat angles P-C4'-P energy: -8.363
tors. eta vs tors. theta energy: -10.353
Dist. restrs. and SS energy: -34.200 (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: 10
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -406.658075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.658075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.258075 (E_RNA)
where:
Base-Base interactions energy: -249.316
where: short stacking energy: -88.452
Base-Backbone interact. energy: -0.595
local terms energy: -106.346478
where:
bonds (distance) C4'-P energy: -20.987
bonds (distance) P-C4' energy: -26.639
flat angles C4'-P-C4' energy: -22.023
flat angles P-C4'-P energy: -10.425
tors. eta vs tors. theta energy: -26.272
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -420.495204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.495204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.095204 (E_RNA)
where:
Base-Base interactions energy: -264.010
where: short stacking energy: -112.519
Base-Backbone interact. energy: -0.489
local terms energy: -105.596558
where:
bonds (distance) C4'-P energy: -18.285
bonds (distance) P-C4' energy: -25.441
flat angles C4'-P-C4' energy: -20.985
flat angles P-C4'-P energy: -13.968
tors. eta vs tors. theta energy: -26.916
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -395.956754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.956754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.556754 (E_RNA)
where:
Base-Base interactions energy: -244.225
where: short stacking energy: -92.222
Base-Backbone interact. energy: -0.614
local terms energy: -100.716990
where:
bonds (distance) C4'-P energy: -18.657
bonds (distance) P-C4' energy: -25.096
flat angles C4'-P-C4' energy: -19.959
flat angles P-C4'-P energy: -13.520
tors. eta vs tors. theta energy: -23.486
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -373.216014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.216014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.816014 (E_RNA)
where:
Base-Base interactions energy: -228.214
where: short stacking energy: -85.182
Base-Backbone interact. energy: 1.342
local terms energy: -95.943697
where:
bonds (distance) C4'-P energy: -18.713
bonds (distance) P-C4' energy: -19.070
flat angles C4'-P-C4' energy: -25.261
flat angles P-C4'-P energy: -13.503
tors. eta vs tors. theta energy: -19.397
Dist. restrs. and SS energy: -50.400 (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: 9
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -297.129257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.129257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.129257 (E_RNA)
where:
Base-Base interactions energy: -174.135
where: short stacking energy: -77.006
Base-Backbone interact. energy: -0.468
local terms energy: -86.526542
where:
bonds (distance) C4'-P energy: -18.873
bonds (distance) P-C4' energy: -10.618
flat angles C4'-P-C4' energy: -20.522
flat angles P-C4'-P energy: -15.606
tors. eta vs tors. theta energy: -20.908
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. 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: -318.689825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.689825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.489825 (E_RNA)
where:
Base-Base interactions energy: -172.658
where: short stacking energy: -82.363
Base-Backbone interact. energy: -0.011
local terms energy: -111.821223
where:
bonds (distance) C4'-P energy: -20.108
bonds (distance) P-C4' energy: -22.559
flat angles C4'-P-C4' energy: -27.990
flat angles P-C4'-P energy: -13.829
tors. eta vs tors. theta energy: -27.336
Dist. restrs. and SS energy: -34.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -277.791741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.791741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.591741 (E_RNA)
where:
Base-Base interactions energy: -155.723
where: short stacking energy: -81.516
Base-Backbone interact. energy: -0.211
local terms energy: -87.658222
where:
bonds (distance) C4'-P energy: -19.019
bonds (distance) P-C4' energy: -20.459
flat angles C4'-P-C4' energy: -19.214
flat angles P-C4'-P energy: -13.196
tors. eta vs tors. theta energy: -15.771
Dist. restrs. and SS energy: -34.200 (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: 3
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -286.780940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.780940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.380940 (E_RNA)
where:
Base-Base interactions energy: -154.948
where: short stacking energy: -71.966
Base-Backbone interact. energy: -1.022
local terms energy: -98.410343
where:
bonds (distance) C4'-P energy: -17.616
bonds (distance) P-C4' energy: -25.036
flat angles C4'-P-C4' energy: -22.560
flat angles P-C4'-P energy: -15.865
tors. eta vs tors. theta energy: -17.333
Dist. restrs. and SS energy: -32.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -248.023906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.023906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.023906 (E_RNA)
where:
Base-Base interactions energy: -127.072
where: short stacking energy: -55.405
Base-Backbone interact. energy: -0.298
local terms energy: -84.654176
where:
bonds (distance) C4'-P energy: -21.954
bonds (distance) P-C4' energy: -22.212
flat angles C4'-P-C4' energy: -18.399
flat angles P-C4'-P energy: -11.530
tors. eta vs tors. theta energy: -10.560
Dist. restrs. and SS energy: -36.000 (S_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: 267
Temperature: 1.350000
Total energy: -241.215000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.215000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.215000 (E_RNA)
where:
Base-Base interactions energy: -122.951
where: short stacking energy: -53.996
Base-Backbone interact. energy: -0.220
local terms energy: -82.043526
where:
bonds (distance) C4'-P energy: -16.495
bonds (distance) P-C4' energy: -17.918
flat angles C4'-P-C4' energy: -23.349
flat angles P-C4'-P energy: -13.932
tors. eta vs tors. theta energy: -10.350
Dist. restrs. and SS energy: -36.000 (S_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: 268
Temperature: 0.900000
Total energy: -420.127175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.127175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.727175 (E_RNA)
where:
Base-Base interactions energy: -257.281
where: short stacking energy: -98.504
Base-Backbone interact. energy: -0.598
local terms energy: -111.848494
where:
bonds (distance) C4'-P energy: -21.113
bonds (distance) P-C4' energy: -26.509
flat angles C4'-P-C4' energy: -23.183
flat angles P-C4'-P energy: -11.751
tors. eta vs tors. theta energy: -29.292
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -400.963851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.963851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.563851 (E_RNA)
where:
Base-Base interactions energy: -236.229
where: short stacking energy: -91.715
Base-Backbone interact. energy: -0.664
local terms energy: -113.670897
where:
bonds (distance) C4'-P energy: -19.888
bonds (distance) P-C4' energy: -25.272
flat angles C4'-P-C4' energy: -22.864
flat angles P-C4'-P energy: -18.289
tors. eta vs tors. theta energy: -27.358
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -398.815709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.815709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.415709 (E_RNA)
where:
Base-Base interactions energy: -227.590
where: short stacking energy: -90.693
Base-Backbone interact. energy: -0.555
local terms energy: -120.270738
where:
bonds (distance) C4'-P energy: -24.892
bonds (distance) P-C4' energy: -23.791
flat angles C4'-P-C4' energy: -25.953
flat angles P-C4'-P energy: -20.708
tors. eta vs tors. theta energy: -24.926
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -384.628291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.628291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.228291 (E_RNA)
where:
Base-Base interactions energy: -239.081
where: short stacking energy: -85.131
Base-Backbone interact. energy: 1.021
local terms energy: -96.168240
where:
bonds (distance) C4'-P energy: -18.587
bonds (distance) P-C4' energy: -15.649
flat angles C4'-P-C4' energy: -22.801
flat angles P-C4'-P energy: -14.801
tors. eta vs tors. theta energy: -24.330
Dist. restrs. and SS energy: -50.400 (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: 9
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -305.668737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.668737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.668737 (E_RNA)
where:
Base-Base interactions energy: -174.640
where: short stacking energy: -77.393
Base-Backbone interact. energy: -0.001
local terms energy: -95.027890
where:
bonds (distance) C4'-P energy: -19.321
bonds (distance) P-C4' energy: -21.503
flat angles C4'-P-C4' energy: -18.975
flat angles P-C4'-P energy: -12.007
tors. eta vs tors. theta energy: -23.222
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. 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: -299.768606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.768606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.768606 (E_RNA)
where:
Base-Base interactions energy: -168.237
where: short stacking energy: -79.394
Base-Backbone interact. energy: -0.110
local terms energy: -95.421500
where:
bonds (distance) C4'-P energy: -15.711
bonds (distance) P-C4' energy: -20.804
flat angles C4'-P-C4' energy: -21.741
flat angles P-C4'-P energy: -17.160
tors. eta vs tors. theta energy: -20.006
Dist. restrs. and SS energy: -36.000 (S_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: 268
Temperature: 1.200000
Total energy: -290.392288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.392288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.392288 (E_RNA)
where:
Base-Base interactions energy: -156.505
where: short stacking energy: -67.087
Base-Backbone interact. energy: -0.709
local terms energy: -97.178713
where:
bonds (distance) C4'-P energy: -23.759
bonds (distance) P-C4' energy: -19.034
flat angles C4'-P-C4' energy: -23.653
flat angles P-C4'-P energy: -10.888
tors. eta vs tors. theta energy: -19.846
Dist. restrs. and SS energy: -36.000 (S_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: 268
Temperature: 1.250000
Total energy: -257.801299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.801299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.201299 (E_RNA)
where:
Base-Base interactions energy: -142.574
where: short stacking energy: -70.336
Base-Backbone interact. energy: 1.187
local terms energy: -85.814843
where:
bonds (distance) C4'-P energy: -20.770
bonds (distance) P-C4' energy: -19.082
flat angles C4'-P-C4' energy: -19.717
flat angles P-C4'-P energy: -11.252
tors. eta vs tors. theta energy: -14.994
Dist. restrs. and SS energy: -30.600 (S_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: 268
Temperature: 1.300000
Total energy: -265.991628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.991628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.791628 (E_RNA)
where:
Base-Base interactions energy: -146.286
where: short stacking energy: -67.974
Base-Backbone interact. energy: 1.012
local terms energy: -86.516715
where:
bonds (distance) C4'-P energy: -25.032
bonds (distance) P-C4' energy: -18.282
flat angles C4'-P-C4' energy: -17.774
flat angles P-C4'-P energy: -8.624
tors. eta vs tors. theta energy: -16.804
Dist. restrs. and SS energy: -34.200 (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: 2
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -244.735467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.735467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.735467 (E_RNA)
where:
Base-Base interactions energy: -122.646
where: short stacking energy: -60.141
Base-Backbone interact. energy: -0.173
local terms energy: -85.916103
where:
bonds (distance) C4'-P energy: -15.450
bonds (distance) P-C4' energy: -22.213
flat angles C4'-P-C4' energy: -23.860
flat angles P-C4'-P energy: -10.616
tors. eta vs tors. theta energy: -13.776
Dist. restrs. and SS energy: -36.000 (S_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: 269
Temperature: 0.900000
Total energy: -412.461456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.461456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.061456 (E_RNA)
where:
Base-Base interactions energy: -253.667
where: short stacking energy: -97.327
Base-Backbone interact. energy: -0.911
local terms energy: -107.483171
where:
bonds (distance) C4'-P energy: -20.402
bonds (distance) P-C4' energy: -19.721
flat angles C4'-P-C4' energy: -23.690
flat angles P-C4'-P energy: -15.355
tors. eta vs tors. theta energy: -28.314
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -409.709418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.709418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.309418 (E_RNA)
where:
Base-Base interactions energy: -250.632
where: short stacking energy: -96.512
Base-Backbone interact. energy: -0.669
local terms energy: -108.008983
where:
bonds (distance) C4'-P energy: -24.034
bonds (distance) P-C4' energy: -19.301
flat angles C4'-P-C4' energy: -19.963
flat angles P-C4'-P energy: -14.855
tors. eta vs tors. theta energy: -29.856
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -408.797321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.797321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.397321 (E_RNA)
where:
Base-Base interactions energy: -257.472
where: short stacking energy: -94.581
Base-Backbone interact. energy: -0.437
local terms energy: -100.488965
where:
bonds (distance) C4'-P energy: -19.810
bonds (distance) P-C4' energy: -17.006
flat angles C4'-P-C4' energy: -20.516
flat angles P-C4'-P energy: -16.934
tors. eta vs tors. theta energy: -26.223
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -368.811625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.811625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.411625 (E_RNA)
where:
Base-Base interactions energy: -230.460
where: short stacking energy: -92.550
Base-Backbone interact. energy: -1.337
local terms energy: -86.613986
where:
bonds (distance) C4'-P energy: -14.907
bonds (distance) P-C4' energy: -21.652
flat angles C4'-P-C4' energy: -14.284
flat angles P-C4'-P energy: -13.959
tors. eta vs tors. theta energy: -21.812
Dist. restrs. and SS energy: -50.400 (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: 9
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -308.244399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.244399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.444399 (E_RNA)
where:
Base-Base interactions energy: -170.877
where: short stacking energy: -87.643
Base-Backbone interact. energy: -0.029
local terms energy: -108.538263
where:
bonds (distance) C4'-P energy: -22.524
bonds (distance) P-C4' energy: -24.249
flat angles C4'-P-C4' energy: -21.856
flat angles P-C4'-P energy: -16.736
tors. eta vs tors. theta energy: -23.173
Dist. restrs. and SS energy: -28.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -299.129930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.129930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.129930 (E_RNA)
where:
Base-Base interactions energy: -161.693
where: short stacking energy: -80.002
Base-Backbone interact. energy: -0.526
local terms energy: -100.910795
where:
bonds (distance) C4'-P energy: -25.231
bonds (distance) P-C4' energy: -23.407
flat angles C4'-P-C4' energy: -23.139
flat angles P-C4'-P energy: -10.806
tors. eta vs tors. theta energy: -18.328
Dist. restrs. and SS energy: -36.000 (S_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: -310.858335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.858335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.858335 (E_RNA)
where:
Base-Base interactions energy: -184.837
where: short stacking energy: -87.630
Base-Backbone interact. energy: -0.070
local terms energy: -89.951036
where:
bonds (distance) C4'-P energy: -14.084
bonds (distance) P-C4' energy: -20.409
flat angles C4'-P-C4' energy: -20.421
flat angles P-C4'-P energy: -17.741
tors. eta vs tors. theta energy: -17.297
Dist. restrs. and SS energy: -36.000 (S_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: 269
Temperature: 1.250000
Total energy: -266.231678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.231678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.231678 (E_RNA)
where:
Base-Base interactions energy: -136.220
where: short stacking energy: -66.518
Base-Backbone interact. energy: -0.167
local terms energy: -93.844899
where:
bonds (distance) C4'-P energy: -20.322
bonds (distance) P-C4' energy: -21.808
flat angles C4'-P-C4' energy: -22.500
flat angles P-C4'-P energy: -15.740
tors. eta vs tors. theta energy: -13.475
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -259.336179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.336179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.336179 (E_RNA)
where:
Base-Base interactions energy: -140.924
where: short stacking energy: -67.161
Base-Backbone interact. energy: -0.241
local terms energy: -82.171666
where:
bonds (distance) C4'-P energy: -18.642
bonds (distance) P-C4' energy: -23.750
flat angles C4'-P-C4' energy: -17.320
flat angles P-C4'-P energy: -13.271
tors. eta vs tors. theta energy: -9.189
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. 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: -247.249405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.249405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.249405 (E_RNA)
where:
Base-Base interactions energy: -133.439
where: short stacking energy: -55.013
Base-Backbone interact. energy: -0.324
local terms energy: -77.486653
where:
bonds (distance) C4'-P energy: -18.679
bonds (distance) P-C4' energy: -22.562
flat angles C4'-P-C4' energy: -18.653
flat angles P-C4'-P energy: -6.015
tors. eta vs tors. theta energy: -11.577
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -419.260305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.260305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.860305 (E_RNA)
where:
Base-Base interactions energy: -260.386
where: short stacking energy: -100.816
Base-Backbone interact. energy: -0.320
local terms energy: -108.154563
where:
bonds (distance) C4'-P energy: -19.843
bonds (distance) P-C4' energy: -18.219
flat angles C4'-P-C4' energy: -23.632
flat angles P-C4'-P energy: -18.386
tors. eta vs tors. theta energy: -28.075
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -399.526875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.526875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.926875 (E_RNA)
where:
Base-Base interactions energy: -249.353
where: short stacking energy: -89.133
Base-Backbone interact. energy: -1.828
local terms energy: -99.746191
where:
bonds (distance) C4'-P energy: -18.425
bonds (distance) P-C4' energy: -21.205
flat angles C4'-P-C4' energy: -21.691
flat angles P-C4'-P energy: -13.863
tors. eta vs tors. theta energy: -24.563
Dist. restrs. and SS energy: -48.600 (S_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: 270
Temperature: 1.000000
Total energy: -407.081055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.081055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.681055 (E_RNA)
where:
Base-Base interactions energy: -239.092
where: short stacking energy: -99.590
Base-Backbone interact. energy: 0.325
local terms energy: -117.914078
where:
bonds (distance) C4'-P energy: -21.493
bonds (distance) P-C4' energy: -24.062
flat angles C4'-P-C4' energy: -24.399
flat angles P-C4'-P energy: -19.487
tors. eta vs tors. theta energy: -28.473
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -369.208562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.208562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.808562 (E_RNA)
where:
Base-Base interactions energy: -224.176
where: short stacking energy: -88.483
Base-Backbone interact. energy: -0.414
local terms energy: -94.218456
where:
bonds (distance) C4'-P energy: -25.252
bonds (distance) P-C4' energy: -21.253
flat angles C4'-P-C4' energy: -16.135
flat angles P-C4'-P energy: -13.331
tors. eta vs tors. theta energy: -18.248
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -306.354333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.354333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.154333 (E_RNA)
where:
Base-Base interactions energy: -170.102
where: short stacking energy: -65.504
Base-Backbone interact. energy: -0.415
local terms energy: -92.636563
where:
bonds (distance) C4'-P energy: -21.542
bonds (distance) P-C4' energy: -19.629
flat angles C4'-P-C4' energy: -20.042
flat angles P-C4'-P energy: -17.121
tors. eta vs tors. theta energy: -14.302
Dist. restrs. and SS energy: -43.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -294.618390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.618390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.618390 (E_RNA)
where:
Base-Base interactions energy: -166.907
where: short stacking energy: -78.108
Base-Backbone interact. energy: -0.121
local terms energy: -91.589545
where:
bonds (distance) C4'-P energy: -19.787
bonds (distance) P-C4' energy: -24.430
flat angles C4'-P-C4' energy: -19.209
flat angles P-C4'-P energy: -10.519
tors. eta vs tors. theta energy: -17.645
Dist. restrs. and SS energy: -36.000 (S_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: 270
Temperature: 1.200000
Total energy: -279.360427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.360427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.360427 (E_RNA)
where:
Base-Base interactions energy: -158.864
where: short stacking energy: -66.325
Base-Backbone interact. energy: -0.490
local terms energy: -84.006818
where:
bonds (distance) C4'-P energy: -20.706
bonds (distance) P-C4' energy: -15.463
flat angles C4'-P-C4' energy: -19.879
flat angles P-C4'-P energy: -15.381
tors. eta vs tors. theta energy: -12.578
Dist. restrs. and SS energy: -36.000 (S_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: 270
Temperature: 1.250000
Total energy: -269.474081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.474081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.474081 (E_RNA)
where:
Base-Base interactions energy: -152.002
where: short stacking energy: -65.579
Base-Backbone interact. energy: -0.720
local terms energy: -80.751239
where:
bonds (distance) C4'-P energy: -15.960
bonds (distance) P-C4' energy: -22.420
flat angles C4'-P-C4' energy: -20.524
flat angles P-C4'-P energy: -11.378
tors. eta vs tors. theta energy: -10.469
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. 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: -261.558454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.558454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.558454 (E_RNA)
where:
Base-Base interactions energy: -144.595
where: short stacking energy: -69.443
Base-Backbone interact. energy: -0.127
local terms energy: -80.836942
where:
bonds (distance) C4'-P energy: -22.607
bonds (distance) P-C4' energy: -15.649
flat angles C4'-P-C4' energy: -18.754
flat angles P-C4'-P energy: -11.263
tors. eta vs tors. theta energy: -12.564
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -238.758470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.758470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.558470 (E_RNA)
where:
Base-Base interactions energy: -123.502
where: short stacking energy: -54.692
Base-Backbone interact. energy: -0.061
local terms energy: -80.996101
where:
bonds (distance) C4'-P energy: -18.779
bonds (distance) P-C4' energy: -21.504
flat angles C4'-P-C4' energy: -18.219
flat angles P-C4'-P energy: -12.037
tors. eta vs tors. theta energy: -10.458
Dist. restrs. and SS energy: -34.200 (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: 271
Temperature: 0.900000
Total energy: -419.663330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.663330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.263330 (E_RNA)
where:
Base-Base interactions energy: -263.404
where: short stacking energy: -103.889
Base-Backbone interact. energy: 0.101
local terms energy: -105.960515
where:
bonds (distance) C4'-P energy: -20.772
bonds (distance) P-C4' energy: -16.314
flat angles C4'-P-C4' energy: -24.867
flat angles P-C4'-P energy: -15.563
tors. eta vs tors. theta energy: -28.445
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -415.568666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.568666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.168666 (E_RNA)
where:
Base-Base interactions energy: -255.136
where: short stacking energy: -91.920
Base-Backbone interact. energy: -0.373
local terms energy: -109.659701
where:
bonds (distance) C4'-P energy: -23.651
bonds (distance) P-C4' energy: -20.273
flat angles C4'-P-C4' energy: -22.003
flat angles P-C4'-P energy: -16.807
tors. eta vs tors. theta energy: -26.926
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -385.226463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.226463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.826463 (E_RNA)
where:
Base-Base interactions energy: -227.379
where: short stacking energy: -86.279
Base-Backbone interact. energy: -0.312
local terms energy: -107.135187
where:
bonds (distance) C4'-P energy: -23.795
bonds (distance) P-C4' energy: -21.282
flat angles C4'-P-C4' energy: -25.524
flat angles P-C4'-P energy: -16.405
tors. eta vs tors. theta energy: -20.129
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -378.549238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.549238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.149238 (E_RNA)
where:
Base-Base interactions energy: -223.075
where: short stacking energy: -91.868
Base-Backbone interact. energy: 0.485
local terms energy: -105.559223
where:
bonds (distance) C4'-P energy: -18.951
bonds (distance) P-C4' energy: -26.529
flat angles C4'-P-C4' energy: -21.153
flat angles P-C4'-P energy: -16.090
tors. eta vs tors. theta energy: -22.836
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -300.358607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.358607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.158607 (E_RNA)
where:
Base-Base interactions energy: -170.099
where: short stacking energy: -65.675
Base-Backbone interact. energy: -0.307
local terms energy: -86.751793
where:
bonds (distance) C4'-P energy: -17.617
bonds (distance) P-C4' energy: -21.707
flat angles C4'-P-C4' energy: -24.570
flat angles P-C4'-P energy: -11.576
tors. eta vs tors. theta energy: -11.283
Dist. restrs. and SS energy: -43.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -304.501599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.501599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.501599 (E_RNA)
where:
Base-Base interactions energy: -166.714
where: short stacking energy: -86.067
Base-Backbone interact. energy: -0.138
local terms energy: -101.648870
where:
bonds (distance) C4'-P energy: -24.433
bonds (distance) P-C4' energy: -20.409
flat angles C4'-P-C4' energy: -24.328
flat angles P-C4'-P energy: -10.037
tors. eta vs tors. theta energy: -22.442
Dist. restrs. and SS energy: -36.000 (S_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: 271
Temperature: 1.200000
Total energy: -280.621349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.621349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.621349 (E_RNA)
where:
Base-Base interactions energy: -160.069
where: short stacking energy: -69.367
Base-Backbone interact. energy: -0.188
local terms energy: -84.364937
where:
bonds (distance) C4'-P energy: -19.431
bonds (distance) P-C4' energy: -20.026
flat angles C4'-P-C4' energy: -17.505
flat angles P-C4'-P energy: -10.665
tors. eta vs tors. theta energy: -16.738
Dist. restrs. and SS energy: -36.000 (S_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: -243.939582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.939582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.939582 (E_RNA)
where:
Base-Base interactions energy: -126.799
where: short stacking energy: -45.116
Base-Backbone interact. energy: 0.091
local terms energy: -81.232429
where:
bonds (distance) C4'-P energy: -22.607
bonds (distance) P-C4' energy: -22.022
flat angles C4'-P-C4' energy: -17.948
flat angles P-C4'-P energy: -12.069
tors. eta vs tors. theta energy: -6.586
Dist. restrs. and SS energy: -36.000 (S_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: 271
Temperature: 1.300000
Total energy: -266.801464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.801464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.401464 (E_RNA)
where:
Base-Base interactions energy: -148.788
where: short stacking energy: -67.583
Base-Backbone interact. energy: -0.255
local terms energy: -85.358525
where:
bonds (distance) C4'-P energy: -16.560
bonds (distance) P-C4' energy: -22.423
flat angles C4'-P-C4' energy: -22.337
flat angles P-C4'-P energy: -13.591
tors. eta vs tors. theta energy: -10.448
Dist. restrs. and SS energy: -32.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -238.772623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.772623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.572623 (E_RNA)
where:
Base-Base interactions energy: -129.873
where: short stacking energy: -53.832
Base-Backbone interact. energy: -0.176
local terms energy: -74.523996
where:
bonds (distance) C4'-P energy: -17.416
bonds (distance) P-C4' energy: -24.194
flat angles C4'-P-C4' energy: -14.766
flat angles P-C4'-P energy: -11.638
tors. eta vs tors. theta energy: -6.510
Dist. restrs. and SS energy: -34.200 (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: 5
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -410.331004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.331004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.931004 (E_RNA)
where:
Base-Base interactions energy: -243.733
where: short stacking energy: -101.181
Base-Backbone interact. energy: -1.038
local terms energy: -115.160649
where:
bonds (distance) C4'-P energy: -19.442
bonds (distance) P-C4' energy: -24.264
flat angles C4'-P-C4' energy: -25.195
flat angles P-C4'-P energy: -19.646
tors. eta vs tors. theta energy: -26.613
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -404.242237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.242237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.442237 (E_RNA)
where:
Base-Base interactions energy: -255.586
where: short stacking energy: -97.674
Base-Backbone interact. energy: -0.703
local terms energy: -101.153063
where:
bonds (distance) C4'-P energy: -18.190
bonds (distance) P-C4' energy: -21.268
flat angles C4'-P-C4' energy: -16.653
flat angles P-C4'-P energy: -19.359
tors. eta vs tors. theta energy: -25.684
Dist. restrs. and SS energy: -46.800 (S_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: 272
Temperature: 1.000000
Total energy: -388.877549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.877549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.477549 (E_RNA)
where:
Base-Base interactions energy: -226.247
where: short stacking energy: -94.093
Base-Backbone interact. energy: -1.217
local terms energy: -111.014175
where:
bonds (distance) C4'-P energy: -24.664
bonds (distance) P-C4' energy: -21.162
flat angles C4'-P-C4' energy: -22.815
flat angles P-C4'-P energy: -14.280
tors. eta vs tors. theta energy: -28.093
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -383.268544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.268544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.868544 (E_RNA)
where:
Base-Base interactions energy: -236.211
where: short stacking energy: -95.207
Base-Backbone interact. energy: -0.627
local terms energy: -96.030425
where:
bonds (distance) C4'-P energy: -17.106
bonds (distance) P-C4' energy: -16.936
flat angles C4'-P-C4' energy: -21.916
flat angles P-C4'-P energy: -16.815
tors. eta vs tors. theta energy: -23.257
Dist. restrs. and SS energy: -50.400 (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: 9
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -306.190543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.190543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.190543 (E_RNA)
where:
Base-Base interactions energy: -173.458
where: short stacking energy: -83.998
Base-Backbone interact. energy: -0.122
local terms energy: -96.611318
where:
bonds (distance) C4'-P energy: -20.222
bonds (distance) P-C4' energy: -21.573
flat angles C4'-P-C4' energy: -22.241
flat angles P-C4'-P energy: -15.215
tors. eta vs tors. theta energy: -17.359
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. 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: -291.080913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.080913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.880913 (E_RNA)
where:
Base-Base interactions energy: -162.667
where: short stacking energy: -75.601
Base-Backbone interact. energy: 1.500
local terms energy: -86.713393
where:
bonds (distance) C4'-P energy: -18.653
bonds (distance) P-C4' energy: -14.545
flat angles C4'-P-C4' energy: -22.121
flat angles P-C4'-P energy: -13.965
tors. eta vs tors. theta energy: -17.429
Dist. restrs. and SS energy: -43.200 (S_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: 272
Temperature: 1.200000
Total energy: -267.230377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.230377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.230377 (E_RNA)
where:
Base-Base interactions energy: -141.167
where: short stacking energy: -62.454
Base-Backbone interact. energy: -0.306
local terms energy: -89.757392
where:
bonds (distance) C4'-P energy: -19.063
bonds (distance) P-C4' energy: -24.187
flat angles C4'-P-C4' energy: -21.652
flat angles P-C4'-P energy: -17.857
tors. eta vs tors. theta energy: -6.998
Dist. restrs. and SS energy: -36.000 (S_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: 272
Temperature: 1.250000
Total energy: -252.678678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.678678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.478678 (E_RNA)
where:
Base-Base interactions energy: -135.656
where: short stacking energy: -60.853
Base-Backbone interact. energy: 0.307
local terms energy: -83.130262
where:
bonds (distance) C4'-P energy: -18.211
bonds (distance) P-C4' energy: -20.755
flat angles C4'-P-C4' energy: -24.118
flat angles P-C4'-P energy: -10.182
tors. eta vs tors. theta energy: -9.865
Dist. restrs. and SS energy: -34.200 (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: 4
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -252.582467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.582467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.582467 (E_RNA)
where:
Base-Base interactions energy: -134.843
where: short stacking energy: -67.420
Base-Backbone interact. energy: -0.373
local terms energy: -81.366200
where:
bonds (distance) C4'-P energy: -18.910
bonds (distance) P-C4' energy: -21.172
flat angles C4'-P-C4' energy: -19.834
flat angles P-C4'-P energy: -10.008
tors. eta vs tors. theta energy: -11.442
Dist. restrs. and SS energy: -36.000 (S_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: 272
Temperature: 1.350000
Total energy: -272.073174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.073174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.073174 (E_RNA)
where:
Base-Base interactions energy: -156.188
where: short stacking energy: -70.112
Base-Backbone interact. energy: -0.331
local terms energy: -79.554153
where:
bonds (distance) C4'-P energy: -17.225
bonds (distance) P-C4' energy: -14.914
flat angles C4'-P-C4' energy: -17.964
flat angles P-C4'-P energy: -15.552
tors. eta vs tors. theta energy: -13.900
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -413.335976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.335976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.935976 (E_RNA)
where:
Base-Base interactions energy: -248.293
where: short stacking energy: -99.779
Base-Backbone interact. energy: -1.189
local terms energy: -113.453876
where:
bonds (distance) C4'-P energy: -21.786
bonds (distance) P-C4' energy: -24.685
flat angles C4'-P-C4' energy: -22.254
flat angles P-C4'-P energy: -17.720
tors. eta vs tors. theta energy: -27.009
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -412.790794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.790794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.190794 (E_RNA)
where:
Base-Base interactions energy: -249.335
where: short stacking energy: -102.384
Base-Backbone interact. energy: -0.454
local terms energy: -114.401411
where:
bonds (distance) C4'-P energy: -18.501
bonds (distance) P-C4' energy: -25.899
flat angles C4'-P-C4' energy: -25.672
flat angles P-C4'-P energy: -15.506
tors. eta vs tors. theta energy: -28.824
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -371.450731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.450731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.050731 (E_RNA)
where:
Base-Base interactions energy: -217.625
where: short stacking energy: -80.781
Base-Backbone interact. energy: -0.914
local terms energy: -102.510963
where:
bonds (distance) C4'-P energy: -18.339
bonds (distance) P-C4' energy: -24.408
flat angles C4'-P-C4' energy: -19.312
flat angles P-C4'-P energy: -21.168
tors. eta vs tors. theta energy: -19.283
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -390.183765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.183765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.783765 (E_RNA)
where:
Base-Base interactions energy: -232.938
where: short stacking energy: -93.481
Base-Backbone interact. energy: -0.809
local terms energy: -106.037356
where:
bonds (distance) C4'-P energy: -19.119
bonds (distance) P-C4' energy: -22.506
flat angles C4'-P-C4' energy: -24.019
flat angles P-C4'-P energy: -15.186
tors. eta vs tors. theta energy: -25.208
Dist. restrs. and SS energy: -50.400 (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: 9
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -304.294247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.294247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.294247 (E_RNA)
where:
Base-Base interactions energy: -175.850
where: short stacking energy: -80.072
Base-Backbone interact. energy: -0.123
local terms energy: -92.320890
where:
bonds (distance) C4'-P energy: -20.521
bonds (distance) P-C4' energy: -23.560
flat angles C4'-P-C4' energy: -16.458
flat angles P-C4'-P energy: -13.642
tors. eta vs tors. theta energy: -18.139
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -273.648643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.648643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.648643 (E_RNA)
where:
Base-Base interactions energy: -144.182
where: short stacking energy: -66.446
Base-Backbone interact. energy: -0.234
local terms energy: -93.233438
where:
bonds (distance) C4'-P energy: -16.576
bonds (distance) P-C4' energy: -22.033
flat angles C4'-P-C4' energy: -25.226
flat angles P-C4'-P energy: -13.132
tors. eta vs tors. theta energy: -16.267
Dist. restrs. and SS energy: -36.000 (S_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: -284.483051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.483051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.483051 (E_RNA)
where:
Base-Base interactions energy: -163.202
where: short stacking energy: -68.213
Base-Backbone interact. energy: -0.109
local terms energy: -76.171836
where:
bonds (distance) C4'-P energy: -22.778
bonds (distance) P-C4' energy: -18.508
flat angles C4'-P-C4' energy: -17.369
flat angles P-C4'-P energy: -7.261
tors. eta vs tors. theta energy: -10.256
Dist. restrs. and SS energy: -45.000 (S_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: 273
Temperature: 1.250000
Total energy: -271.706682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.706682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.706682 (E_RNA)
where:
Base-Base interactions energy: -142.266
where: short stacking energy: -71.532
Base-Backbone interact. energy: -0.322
local terms energy: -93.118998
where:
bonds (distance) C4'-P energy: -19.113
bonds (distance) P-C4' energy: -21.993
flat angles C4'-P-C4' energy: -17.875
flat angles P-C4'-P energy: -17.310
tors. eta vs tors. theta energy: -16.827
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -261.790351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.790351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.590351 (E_RNA)
where:
Base-Base interactions energy: -134.742
where: short stacking energy: -70.379
Base-Backbone interact. energy: -0.228
local terms energy: -92.620819
where:
bonds (distance) C4'-P energy: -21.030
bonds (distance) P-C4' energy: -20.019
flat angles C4'-P-C4' energy: -24.726
flat angles P-C4'-P energy: -13.734
tors. eta vs tors. theta energy: -13.111
Dist. restrs. and SS energy: -34.200 (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: 273
Temperature: 1.350000
Total energy: -259.520043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.520043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.520043 (E_RNA)
where:
Base-Base interactions energy: -144.549
where: short stacking energy: -65.135
Base-Backbone interact. energy: -0.335
local terms energy: -78.636580
where:
bonds (distance) C4'-P energy: -12.025
bonds (distance) P-C4' energy: -19.210
flat angles C4'-P-C4' energy: -20.648
flat angles P-C4'-P energy: -10.717
tors. eta vs tors. theta energy: -16.036
Dist. restrs. and SS energy: -36.000 (S_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: 274
Temperature: 0.900000
Total energy: -412.916403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.916403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.516403 (E_RNA)
where:
Base-Base interactions energy: -253.115
where: short stacking energy: -99.465
Base-Backbone interact. energy: -1.288
local terms energy: -108.113901
where:
bonds (distance) C4'-P energy: -16.828
bonds (distance) P-C4' energy: -23.104
flat angles C4'-P-C4' energy: -22.707
flat angles P-C4'-P energy: -17.213
tors. eta vs tors. theta energy: -28.262
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -407.818007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.818007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.418007 (E_RNA)
where:
Base-Base interactions energy: -253.287
where: short stacking energy: -95.765
Base-Backbone interact. energy: -0.966
local terms energy: -103.164301
where:
bonds (distance) C4'-P energy: -18.111
bonds (distance) P-C4' energy: -19.885
flat angles C4'-P-C4' energy: -21.655
flat angles P-C4'-P energy: -18.174
tors. eta vs tors. theta energy: -25.339
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -384.037660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.037660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.637660 (E_RNA)
where:
Base-Base interactions energy: -226.874
where: short stacking energy: -87.262
Base-Backbone interact. energy: -0.437
local terms energy: -106.325896
where:
bonds (distance) C4'-P energy: -18.549
bonds (distance) P-C4' energy: -22.400
flat angles C4'-P-C4' energy: -23.252
flat angles P-C4'-P energy: -21.369
tors. eta vs tors. theta energy: -20.756
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -380.773516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.773516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.173516 (E_RNA)
where:
Base-Base interactions energy: -237.278
where: short stacking energy: -93.499
Base-Backbone interact. energy: -2.283
local terms energy: -92.611783
where:
bonds (distance) C4'-P energy: -19.798
bonds (distance) P-C4' energy: -17.504
flat angles C4'-P-C4' energy: -20.945
flat angles P-C4'-P energy: -12.265
tors. eta vs tors. theta energy: -22.100
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -285.065703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.065703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.865703 (E_RNA)
where:
Base-Base interactions energy: -151.974
where: short stacking energy: -77.326
Base-Backbone interact. energy: 0.418
local terms energy: -99.309865
where:
bonds (distance) C4'-P energy: -23.482
bonds (distance) P-C4' energy: -19.952
flat angles C4'-P-C4' energy: -22.922
flat angles P-C4'-P energy: -18.147
tors. eta vs tors. theta energy: -14.807
Dist. restrs. and SS energy: -34.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -302.474142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.474142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.474142 (E_RNA)
where:
Base-Base interactions energy: -179.267
where: short stacking energy: -81.295
Base-Backbone interact. energy: -0.301
local terms energy: -86.906418
where:
bonds (distance) C4'-P energy: -21.242
bonds (distance) P-C4' energy: -17.208
flat angles C4'-P-C4' energy: -14.737
flat angles P-C4'-P energy: -10.782
tors. eta vs tors. theta energy: -22.938
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -265.217721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.217721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.017721 (E_RNA)
where:
Base-Base interactions energy: -145.473
where: short stacking energy: -61.887
Base-Backbone interact. energy: -1.198
local terms energy: -84.347274
where:
bonds (distance) C4'-P energy: -20.348
bonds (distance) P-C4' energy: -19.748
flat angles C4'-P-C4' energy: -21.278
flat angles P-C4'-P energy: -12.035
tors. eta vs tors. theta energy: -10.939
Dist. restrs. and SS energy: -34.200 (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: 3
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -281.805307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.805307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.205307 (E_RNA)
where:
Base-Base interactions energy: -152.104
where: short stacking energy: -52.943
Base-Backbone interact. energy: -0.814
local terms energy: -80.287204
where:
bonds (distance) C4'-P energy: -22.537
bonds (distance) P-C4' energy: -20.252
flat angles C4'-P-C4' energy: -10.337
flat angles P-C4'-P energy: -12.180
tors. eta vs tors. theta energy: -14.981
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -262.413412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.413412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.413412 (E_RNA)
where:
Base-Base interactions energy: -145.490
where: short stacking energy: -73.650
Base-Backbone interact. energy: 1.053
local terms energy: -81.976823
where:
bonds (distance) C4'-P energy: -17.544
bonds (distance) P-C4' energy: -19.297
flat angles C4'-P-C4' energy: -17.578
flat angles P-C4'-P energy: -13.013
tors. eta vs tors. theta energy: -14.545
Dist. restrs. and SS energy: -36.000 (S_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: 274
Temperature: 1.350000
Total energy: -252.672518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.672518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.672518 (E_RNA)
where:
Base-Base interactions energy: -139.711
where: short stacking energy: -52.335
Base-Backbone interact. energy: -0.075
local terms energy: -76.886884
where:
bonds (distance) C4'-P energy: -20.446
bonds (distance) P-C4' energy: -28.448
flat angles C4'-P-C4' energy: -17.016
flat angles P-C4'-P energy: -7.614
tors. eta vs tors. theta energy: -3.363
Dist. restrs. and SS energy: -36.000 (S_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: 275
Temperature: 0.900000
Total energy: -411.944076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.944076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.544076 (E_RNA)
where:
Base-Base interactions energy: -254.910
where: short stacking energy: -87.173
Base-Backbone interact. energy: -0.628
local terms energy: -106.006467
where:
bonds (distance) C4'-P energy: -16.046
bonds (distance) P-C4' energy: -24.607
flat angles C4'-P-C4' energy: -27.044
flat angles P-C4'-P energy: -17.100
tors. eta vs tors. theta energy: -21.209
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -383.736318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.736318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.136318 (E_RNA)
where:
Base-Base interactions energy: -229.789
where: short stacking energy: -81.271
Base-Backbone interact. energy: 0.200
local terms energy: -105.547215
where:
bonds (distance) C4'-P energy: -19.297
bonds (distance) P-C4' energy: -25.039
flat angles C4'-P-C4' energy: -24.525
flat angles P-C4'-P energy: -14.848
tors. eta vs tors. theta energy: -21.839
Dist. restrs. and SS energy: -48.600 (S_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: 275
Temperature: 1.000000
Total energy: -395.750105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.750105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.350105 (E_RNA)
where:
Base-Base interactions energy: -241.899
where: short stacking energy: -90.570
Base-Backbone interact. energy: -0.604
local terms energy: -102.848096
where:
bonds (distance) C4'-P energy: -24.644
bonds (distance) P-C4' energy: -16.020
flat angles C4'-P-C4' energy: -22.175
flat angles P-C4'-P energy: -15.050
tors. eta vs tors. theta energy: -24.958
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -365.609961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.609961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.209961 (E_RNA)
where:
Base-Base interactions energy: -214.830
where: short stacking energy: -83.077
Base-Backbone interact. energy: -0.676
local terms energy: -99.704091
where:
bonds (distance) C4'-P energy: -18.662
bonds (distance) P-C4' energy: -20.876
flat angles C4'-P-C4' energy: -22.462
flat angles P-C4'-P energy: -16.407
tors. eta vs tors. theta energy: -21.297
Dist. restrs. and SS energy: -50.400 (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: 6
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -295.279122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.279122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.279122 (E_RNA)
where:
Base-Base interactions energy: -165.667
where: short stacking energy: -69.351
Base-Backbone interact. energy: -1.961
local terms energy: -91.650744
where:
bonds (distance) C4'-P energy: -18.127
bonds (distance) P-C4' energy: -24.919
flat angles C4'-P-C4' energy: -22.305
flat angles P-C4'-P energy: -12.036
tors. eta vs tors. theta energy: -14.264
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -282.132083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.132083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.132083 (E_RNA)
where:
Base-Base interactions energy: -156.379
where: short stacking energy: -64.335
Base-Backbone interact. energy: -1.373
local terms energy: -88.380534
where:
bonds (distance) C4'-P energy: -17.003
bonds (distance) P-C4' energy: -23.867
flat angles C4'-P-C4' energy: -22.423
flat angles P-C4'-P energy: -12.660
tors. eta vs tors. theta energy: -12.428
Dist. restrs. and SS energy: -36.000 (S_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: 275
Temperature: 1.200000
Total energy: -302.697635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.697635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.697635 (E_RNA)
where:
Base-Base interactions energy: -174.640
where: short stacking energy: -78.144
Base-Backbone interact. energy: -1.110
local terms energy: -90.947299
where:
bonds (distance) C4'-P energy: -21.146
bonds (distance) P-C4' energy: -20.815
flat angles C4'-P-C4' energy: -18.963
flat angles P-C4'-P energy: -10.033
tors. eta vs tors. theta energy: -19.991
Dist. restrs. and SS energy: -36.000 (S_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: 275
Temperature: 1.250000
Total energy: -297.052559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.052559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.052559 (E_RNA)
where:
Base-Base interactions energy: -162.012
where: short stacking energy: -70.177
Base-Backbone interact. energy: -0.949
local terms energy: -98.091308
where:
bonds (distance) C4'-P energy: -14.391
bonds (distance) P-C4' energy: -22.954
flat angles C4'-P-C4' energy: -21.021
flat angles P-C4'-P energy: -12.116
tors. eta vs tors. theta energy: -27.608
Dist. restrs. and SS energy: -36.000 (S_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: -271.822874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.822874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.622874 (E_RNA)
where:
Base-Base interactions energy: -152.222
where: short stacking energy: -60.475
Base-Backbone interact. energy: -0.471
local terms energy: -84.929920
where:
bonds (distance) C4'-P energy: -18.004
bonds (distance) P-C4' energy: -20.997
flat angles C4'-P-C4' energy: -19.901
flat angles P-C4'-P energy: -16.016
tors. eta vs tors. theta energy: -10.012
Dist. restrs. and SS energy: -34.200 (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: 275
Temperature: 1.350000
Total energy: -260.329353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.329353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.329353 (E_RNA)
where:
Base-Base interactions energy: -142.113
where: short stacking energy: -58.431
Base-Backbone interact. energy: 0.365
local terms energy: -82.581580
where:
bonds (distance) C4'-P energy: -19.041
bonds (distance) P-C4' energy: -18.284
flat angles C4'-P-C4' energy: -22.427
flat angles P-C4'-P energy: -14.562
tors. eta vs tors. theta energy: -8.268
Dist. restrs. and SS energy: -36.000 (S_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: -416.191615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.191615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.791615 (E_RNA)
where:
Base-Base interactions energy: -260.784
where: short stacking energy: -94.529
Base-Backbone interact. energy: -1.105
local terms energy: -103.903024
where:
bonds (distance) C4'-P energy: -24.351
bonds (distance) P-C4' energy: -20.814
flat angles C4'-P-C4' energy: -19.996
flat angles P-C4'-P energy: -9.925
tors. eta vs tors. theta energy: -28.818
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -406.321277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.321277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.921277 (E_RNA)
where:
Base-Base interactions energy: -240.569
where: short stacking energy: -93.830
Base-Backbone interact. energy: -0.728
local terms energy: -114.624805
where:
bonds (distance) C4'-P energy: -23.924
bonds (distance) P-C4' energy: -24.645
flat angles C4'-P-C4' energy: -22.091
flat angles P-C4'-P energy: -14.354
tors. eta vs tors. theta energy: -29.612
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -402.361340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.361340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.761340 (E_RNA)
where:
Base-Base interactions energy: -240.563
where: short stacking energy: -96.820
Base-Backbone interact. energy: -0.444
local terms energy: -112.755010
where:
bonds (distance) C4'-P energy: -21.559
bonds (distance) P-C4' energy: -24.645
flat angles C4'-P-C4' energy: -20.552
flat angles P-C4'-P energy: -17.167
tors. eta vs tors. theta energy: -28.832
Dist. restrs. and SS energy: -48.600 (S_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: -371.592837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.592837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.192837 (E_RNA)
where:
Base-Base interactions energy: -224.340
where: short stacking energy: -80.003
Base-Backbone interact. energy: -0.875
local terms energy: -95.977809
where:
bonds (distance) C4'-P energy: -20.977
bonds (distance) P-C4' energy: -16.133
flat angles C4'-P-C4' energy: -19.767
flat angles P-C4'-P energy: -15.471
tors. eta vs tors. theta energy: -23.631
Dist. restrs. and SS energy: -50.400 (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: 6
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -295.052141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.052141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.052141 (E_RNA)
where:
Base-Base interactions energy: -159.885
where: short stacking energy: -73.180
Base-Backbone interact. energy: 0.785
local terms energy: -99.952303
where:
bonds (distance) C4'-P energy: -21.030
bonds (distance) P-C4' energy: -19.678
flat angles C4'-P-C4' energy: -24.508
flat angles P-C4'-P energy: -17.743
tors. eta vs tors. theta energy: -16.994
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -291.204262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.204262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.204262 (E_RNA)
where:
Base-Base interactions energy: -163.868
where: short stacking energy: -67.009
Base-Backbone interact. energy: -0.277
local terms energy: -91.059856
where:
bonds (distance) C4'-P energy: -20.092
bonds (distance) P-C4' energy: -20.647
flat angles C4'-P-C4' energy: -16.344
flat angles P-C4'-P energy: -15.867
tors. eta vs tors. theta energy: -18.109
Dist. restrs. and SS energy: -36.000 (S_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: 276
Temperature: 1.200000
Total energy: -291.128541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.128541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.128541 (E_RNA)
where:
Base-Base interactions energy: -158.362
where: short stacking energy: -70.309
Base-Backbone interact. energy: -0.540
local terms energy: -96.226827
where:
bonds (distance) C4'-P energy: -24.458
bonds (distance) P-C4' energy: -17.173
flat angles C4'-P-C4' energy: -18.597
flat angles P-C4'-P energy: -19.738
tors. eta vs tors. theta energy: -16.260
Dist. restrs. and SS energy: -36.000 (S_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: 276
Temperature: 1.250000
Total energy: -300.128577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.128577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.128577 (E_RNA)
where:
Base-Base interactions energy: -175.881
where: short stacking energy: -59.268
Base-Backbone interact. energy: -1.841
local terms energy: -86.406101
where:
bonds (distance) C4'-P energy: -19.832
bonds (distance) P-C4' energy: -20.897
flat angles C4'-P-C4' energy: -16.429
flat angles P-C4'-P energy: -16.777
tors. eta vs tors. theta energy: -12.470
Dist. restrs. and SS energy: -36.000 (S_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: -283.538265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.538265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.338265 (E_RNA)
where:
Base-Base interactions energy: -154.036
where: short stacking energy: -69.938
Base-Backbone interact. energy: -0.078
local terms energy: -95.224490
where:
bonds (distance) C4'-P energy: -24.080
bonds (distance) P-C4' energy: -21.555
flat angles C4'-P-C4' energy: -19.435
flat angles P-C4'-P energy: -14.146
tors. eta vs tors. theta energy: -16.009
Dist. restrs. and SS energy: -34.200 (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: 276
Temperature: 1.350000
Total energy: -250.506017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.506017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.306017 (E_RNA)
where:
Base-Base interactions energy: -143.549
where: short stacking energy: -68.799
Base-Backbone interact. energy: 1.292
local terms energy: -74.048498
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -16.842
flat angles C4'-P-C4' energy: -15.319
flat angles P-C4'-P energy: -15.669
tors. eta vs tors. theta energy: -12.862
Dist. restrs. and SS energy: -34.200 (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: 277
Temperature: 0.900000
Total energy: -419.373469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.373469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.973469 (E_RNA)
where:
Base-Base interactions energy: -259.855
where: short stacking energy: -93.170
Base-Backbone interact. energy: -0.579
local terms energy: -108.539518
where:
bonds (distance) C4'-P energy: -13.719
bonds (distance) P-C4' energy: -24.680
flat angles C4'-P-C4' energy: -24.811
flat angles P-C4'-P energy: -14.963
tors. eta vs tors. theta energy: -30.365
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -404.880520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.880520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.480520 (E_RNA)
where:
Base-Base interactions energy: -241.139
where: short stacking energy: -95.646
Base-Backbone interact. energy: -0.277
local terms energy: -113.064512
where:
bonds (distance) C4'-P energy: -24.048
bonds (distance) P-C4' energy: -23.572
flat angles C4'-P-C4' energy: -21.075
flat angles P-C4'-P energy: -16.223
tors. eta vs tors. theta energy: -28.146
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -407.813689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.813689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.013689 (E_RNA)
where:
Base-Base interactions energy: -248.308
where: short stacking energy: -94.020
Base-Backbone interact. energy: -0.408
local terms energy: -112.297229
where:
bonds (distance) C4'-P energy: -21.767
bonds (distance) P-C4' energy: -23.108
flat angles C4'-P-C4' energy: -23.509
flat angles P-C4'-P energy: -18.802
tors. eta vs tors. theta energy: -25.111
Dist. restrs. and SS energy: -46.800 (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: 8
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -369.773837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.773837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.373837 (E_RNA)
where:
Base-Base interactions energy: -221.107
where: short stacking energy: -88.741
Base-Backbone interact. energy: -0.792
local terms energy: -97.474549
where:
bonds (distance) C4'-P energy: -18.054
bonds (distance) P-C4' energy: -22.111
flat angles C4'-P-C4' energy: -21.026
flat angles P-C4'-P energy: -14.660
tors. eta vs tors. theta energy: -21.624
Dist. restrs. and SS energy: -50.400 (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: 6
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -301.261746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.261746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.261746 (E_RNA)
where:
Base-Base interactions energy: -168.498
where: short stacking energy: -77.019
Base-Backbone interact. energy: -0.028
local terms energy: -96.735804
where:
bonds (distance) C4'-P energy: -21.250
bonds (distance) P-C4' energy: -21.883
flat angles C4'-P-C4' energy: -23.446
flat angles P-C4'-P energy: -13.064
tors. eta vs tors. theta energy: -17.093
Dist. restrs. and SS energy: -36.000 (S_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: 277
Temperature: 1.150000
Total energy: -302.150937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.150937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.150937 (E_RNA)
where:
Base-Base interactions energy: -167.059
where: short stacking energy: -77.769
Base-Backbone interact. energy: -0.023
local terms energy: -99.069159
where:
bonds (distance) C4'-P energy: -21.150
bonds (distance) P-C4' energy: -23.277
flat angles C4'-P-C4' energy: -16.715
flat angles P-C4'-P energy: -16.279
tors. eta vs tors. theta energy: -21.648
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -295.121166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.121166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.921166 (E_RNA)
where:
Base-Base interactions energy: -163.286
where: short stacking energy: -68.156
Base-Backbone interact. energy: -0.317
local terms energy: -97.318734
where:
bonds (distance) C4'-P energy: -21.246
bonds (distance) P-C4' energy: -26.890
flat angles C4'-P-C4' energy: -16.644
flat angles P-C4'-P energy: -19.976
tors. eta vs tors. theta energy: -12.563
Dist. restrs. and SS energy: -34.200 (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: 3
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -270.997351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.997351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.997351 (E_RNA)
where:
Base-Base interactions energy: -154.603
where: short stacking energy: -66.036
Base-Backbone interact. energy: -0.314
local terms energy: -80.080459
where:
bonds (distance) C4'-P energy: -18.815
bonds (distance) P-C4' energy: -22.419
flat angles C4'-P-C4' energy: -14.347
flat angles P-C4'-P energy: -7.609
tors. eta vs tors. theta energy: -16.889
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -294.515848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.515848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.515848 (E_RNA)
where:
Base-Base interactions energy: -185.773
where: short stacking energy: -56.496
Base-Backbone interact. energy: -1.099
local terms energy: -71.643984
where:
bonds (distance) C4'-P energy: -20.029
bonds (distance) P-C4' energy: -16.754
flat angles C4'-P-C4' energy: -13.101
flat angles P-C4'-P energy: -10.932
tors. eta vs tors. theta energy: -10.829
Dist. restrs. and SS energy: -36.000 (S_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: 277
Temperature: 1.350000
Total energy: -251.646695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.646695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.646695 (E_RNA)
where:
Base-Base interactions energy: -136.655
where: short stacking energy: -62.685
Base-Backbone interact. energy: -0.215
local terms energy: -78.775944
where:
bonds (distance) C4'-P energy: -19.373
bonds (distance) P-C4' energy: -26.110
flat angles C4'-P-C4' energy: -12.678
flat angles P-C4'-P energy: -11.323
tors. eta vs tors. theta energy: -9.292
Dist. restrs. and SS energy: -36.000 (S_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: 278
Temperature: 0.900000
Total energy: -416.930429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.930429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.530429 (E_RNA)
where:
Base-Base interactions energy: -250.654
where: short stacking energy: -96.723
Base-Backbone interact. energy: -1.180
local terms energy: -114.696126
where:
bonds (distance) C4'-P energy: -21.560
bonds (distance) P-C4' energy: -22.774
flat angles C4'-P-C4' energy: -20.957
flat angles P-C4'-P energy: -20.142
tors. eta vs tors. theta energy: -29.263
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -406.714253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.714253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.314253 (E_RNA)
where:
Base-Base interactions energy: -243.401
where: short stacking energy: -105.430
Base-Backbone interact. energy: -0.960
local terms energy: -111.953771
where:
bonds (distance) C4'-P energy: -23.368
bonds (distance) P-C4' energy: -23.053
flat angles C4'-P-C4' energy: -21.004
flat angles P-C4'-P energy: -18.088
tors. eta vs tors. theta energy: -26.441
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -396.225844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.225844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.825844 (E_RNA)
where:
Base-Base interactions energy: -236.381
where: short stacking energy: -81.715
Base-Backbone interact. energy: -0.780
local terms energy: -108.664247
where:
bonds (distance) C4'-P energy: -21.909
bonds (distance) P-C4' energy: -22.992
flat angles C4'-P-C4' energy: -23.220
flat angles P-C4'-P energy: -18.116
tors. eta vs tors. theta energy: -22.428
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -377.118141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.118141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.718141 (E_RNA)
where:
Base-Base interactions energy: -221.195
where: short stacking energy: -90.174
Base-Backbone interact. energy: -0.927
local terms energy: -104.596404
where:
bonds (distance) C4'-P energy: -24.679
bonds (distance) P-C4' energy: -20.460
flat angles C4'-P-C4' energy: -17.731
flat angles P-C4'-P energy: -12.402
tors. eta vs tors. theta energy: -29.324
Dist. restrs. and SS energy: -50.400 (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: 278
Temperature: 1.100000
Total energy: -313.317324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.317324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.317324 (E_RNA)
where:
Base-Base interactions energy: -180.610
where: short stacking energy: -78.574
Base-Backbone interact. energy: -0.110
local terms energy: -96.597578
where:
bonds (distance) C4'-P energy: -22.203
bonds (distance) P-C4' energy: -24.719
flat angles C4'-P-C4' energy: -21.845
flat angles P-C4'-P energy: -11.430
tors. eta vs tors. theta energy: -16.400
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. 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: -306.239795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.239795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.239795 (E_RNA)
where:
Base-Base interactions energy: -172.880
where: short stacking energy: -78.324
Base-Backbone interact. energy: -0.242
local terms energy: -97.117766
where:
bonds (distance) C4'-P energy: -15.881
bonds (distance) P-C4' energy: -25.112
flat angles C4'-P-C4' energy: -19.646
flat angles P-C4'-P energy: -10.392
tors. eta vs tors. theta energy: -26.086
Dist. restrs. and SS energy: -36.000 (S_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: 278
Temperature: 1.200000
Total energy: -292.130716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.130716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.130716 (E_RNA)
where:
Base-Base interactions energy: -167.748
where: short stacking energy: -64.766
Base-Backbone interact. energy: -0.195
local terms energy: -88.188145
where:
bonds (distance) C4'-P energy: -21.376
bonds (distance) P-C4' energy: -19.315
flat angles C4'-P-C4' energy: -16.760
flat angles P-C4'-P energy: -14.509
tors. eta vs tors. theta energy: -16.228
Dist. restrs. and SS energy: -36.000 (S_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: 278
Temperature: 1.250000
Total energy: -288.283359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.283359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.283359 (E_RNA)
where:
Base-Base interactions energy: -162.079
where: short stacking energy: -67.795
Base-Backbone interact. energy: -0.711
local terms energy: -89.493369
where:
bonds (distance) C4'-P energy: -23.397
bonds (distance) P-C4' energy: -13.817
flat angles C4'-P-C4' energy: -18.810
flat angles P-C4'-P energy: -15.873
tors. eta vs tors. theta energy: -17.597
Dist. restrs. and SS energy: -36.000 (S_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: 278
Temperature: 1.300000
Total energy: -261.082841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.082841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.882841 (E_RNA)
where:
Base-Base interactions energy: -145.858
where: short stacking energy: -51.910
Base-Backbone interact. energy: 0.347
local terms energy: -72.371800
where:
bonds (distance) C4'-P energy: -22.069
bonds (distance) P-C4' energy: -20.010
flat angles C4'-P-C4' energy: -11.076
flat angles P-C4'-P energy: -3.760
tors. eta vs tors. theta energy: -15.457
Dist. restrs. and SS energy: -43.200 (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: 9
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -268.976449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.976449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.976449 (E_RNA)
where:
Base-Base interactions energy: -143.287
where: short stacking energy: -64.441
Base-Backbone interact. energy: -0.866
local terms energy: -88.823248
where:
bonds (distance) C4'-P energy: -21.308
bonds (distance) P-C4' energy: -26.297
flat angles C4'-P-C4' energy: -21.456
flat angles P-C4'-P energy: -9.114
tors. eta vs tors. theta energy: -10.649
Dist. restrs. and SS energy: -36.000 (S_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: 279
Temperature: 0.900000
Total energy: -415.696894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.696894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.296894 (E_RNA)
where:
Base-Base interactions energy: -246.453
where: short stacking energy: -90.369
Base-Backbone interact. energy: -1.754
local terms energy: -117.089907
where:
bonds (distance) C4'-P energy: -20.861
bonds (distance) P-C4' energy: -25.910
flat angles C4'-P-C4' energy: -23.066
flat angles P-C4'-P energy: -19.177
tors. eta vs tors. theta energy: -28.077
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -400.511769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.511769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.111769 (E_RNA)
where:
Base-Base interactions energy: -240.926
where: short stacking energy: -101.885
Base-Backbone interact. energy: -0.503
local terms energy: -108.682580
where:
bonds (distance) C4'-P energy: -19.750
bonds (distance) P-C4' energy: -23.830
flat angles C4'-P-C4' energy: -24.464
flat angles P-C4'-P energy: -12.022
tors. eta vs tors. theta energy: -28.616
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -397.876086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.876086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.476086 (E_RNA)
where:
Base-Base interactions energy: -234.009
where: short stacking energy: -87.511
Base-Backbone interact. energy: 0.435
local terms energy: -113.901618
where:
bonds (distance) C4'-P energy: -24.959
bonds (distance) P-C4' energy: -19.341
flat angles C4'-P-C4' energy: -25.164
flat angles P-C4'-P energy: -17.478
tors. eta vs tors. theta energy: -26.959
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -385.599267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.599267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.199267 (E_RNA)
where:
Base-Base interactions energy: -231.878
where: short stacking energy: -95.433
Base-Backbone interact. energy: -1.217
local terms energy: -102.104152
where:
bonds (distance) C4'-P energy: -21.726
bonds (distance) P-C4' energy: -17.479
flat angles C4'-P-C4' energy: -21.692
flat angles P-C4'-P energy: -17.959
tors. eta vs tors. theta energy: -23.248
Dist. restrs. and SS energy: -50.400 (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: 279
Temperature: 1.100000
Total energy: -311.927707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.927707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.927707 (E_RNA)
where:
Base-Base interactions energy: -177.790
where: short stacking energy: -91.873
Base-Backbone interact. energy: -0.490
local terms energy: -97.648325
where:
bonds (distance) C4'-P energy: -19.214
bonds (distance) P-C4' energy: -23.207
flat angles C4'-P-C4' energy: -21.273
flat angles P-C4'-P energy: -13.209
tors. eta vs tors. theta energy: -20.745
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -292.207539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.207539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.207539 (E_RNA)
where:
Base-Base interactions energy: -159.138
where: short stacking energy: -71.476
Base-Backbone interact. energy: -0.424
local terms energy: -96.646460
where:
bonds (distance) C4'-P energy: -25.014
bonds (distance) P-C4' energy: -20.721
flat angles C4'-P-C4' energy: -14.977
flat angles P-C4'-P energy: -14.480
tors. eta vs tors. theta energy: -21.455
Dist. restrs. and SS energy: -36.000 (S_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: -290.319339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.319339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.319339 (E_RNA)
where:
Base-Base interactions energy: -166.146
where: short stacking energy: -78.121
Base-Backbone interact. energy: -0.142
local terms energy: -88.030745
where:
bonds (distance) C4'-P energy: -18.121
bonds (distance) P-C4' energy: -19.521
flat angles C4'-P-C4' energy: -19.212
flat angles P-C4'-P energy: -13.954
tors. eta vs tors. theta energy: -17.222
Dist. restrs. and SS energy: -36.000 (S_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: 279
Temperature: 1.250000
Total energy: -270.848869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.848869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.848869 (E_RNA)
where:
Base-Base interactions energy: -147.390
where: short stacking energy: -56.696
Base-Backbone interact. energy: 0.504
local terms energy: -87.962904
where:
bonds (distance) C4'-P energy: -18.488
bonds (distance) P-C4' energy: -26.457
flat angles C4'-P-C4' energy: -22.473
flat angles P-C4'-P energy: -12.159
tors. eta vs tors. theta energy: -8.385
Dist. restrs. and SS energy: -36.000 (S_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: 279
Temperature: 1.300000
Total energy: -283.350327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.350327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.950327 (E_RNA)
where:
Base-Base interactions energy: -149.516
where: short stacking energy: -55.208
Base-Backbone interact. energy: -0.760
local terms energy: -82.674951
where:
bonds (distance) C4'-P energy: -22.184
bonds (distance) P-C4' energy: -18.934
flat angles C4'-P-C4' energy: -16.401
flat angles P-C4'-P energy: -14.436
tors. eta vs tors. theta energy: -10.720
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -258.995958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.995958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.795958 (E_RNA)
where:
Base-Base interactions energy: -144.523
where: short stacking energy: -74.037
Base-Backbone interact. energy: -0.301
local terms energy: -79.972168
where:
bonds (distance) C4'-P energy: -16.764
bonds (distance) P-C4' energy: -24.522
flat angles C4'-P-C4' energy: -14.304
flat angles P-C4'-P energy: -10.553
tors. eta vs tors. theta energy: -13.829
Dist. restrs. and SS energy: -34.200 (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: 280
Temperature: 0.900000
Total energy: -414.445055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.445055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.045055 (E_RNA)
where:
Base-Base interactions energy: -254.313
where: short stacking energy: -97.801
Base-Backbone interact. energy: -0.341
local terms energy: -109.391424
where:
bonds (distance) C4'-P energy: -23.526
bonds (distance) P-C4' energy: -21.587
flat angles C4'-P-C4' energy: -22.581
flat angles P-C4'-P energy: -13.076
tors. eta vs tors. theta energy: -28.622
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -398.365502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.365502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.965502 (E_RNA)
where:
Base-Base interactions energy: -242.854
where: short stacking energy: -102.062
Base-Backbone interact. energy: 0.547
local terms energy: -105.658976
where:
bonds (distance) C4'-P energy: -18.352
bonds (distance) P-C4' energy: -16.912
flat angles C4'-P-C4' energy: -21.914
flat angles P-C4'-P energy: -18.899
tors. eta vs tors. theta energy: -29.583
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -394.700358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.700358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.300358 (E_RNA)
where:
Base-Base interactions energy: -232.784
where: short stacking energy: -91.978
Base-Backbone interact. energy: -0.631
local terms energy: -110.884764
where:
bonds (distance) C4'-P energy: -22.723
bonds (distance) P-C4' energy: -19.991
flat angles C4'-P-C4' energy: -28.148
flat angles P-C4'-P energy: -16.043
tors. eta vs tors. theta energy: -23.980
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -387.960827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.960827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.560827 (E_RNA)
where:
Base-Base interactions energy: -241.161
where: short stacking energy: -96.727
Base-Backbone interact. energy: 0.874
local terms energy: -97.273458
where:
bonds (distance) C4'-P energy: -17.635
bonds (distance) P-C4' energy: -19.984
flat angles C4'-P-C4' energy: -23.248
flat angles P-C4'-P energy: -13.788
tors. eta vs tors. theta energy: -22.619
Dist. restrs. and SS energy: -50.400 (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: 280
Temperature: 1.100000
Total energy: -312.328623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.328623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.328623 (E_RNA)
where:
Base-Base interactions energy: -184.266
where: short stacking energy: -92.492
Base-Backbone interact. energy: -0.026
local terms energy: -92.036950
where:
bonds (distance) C4'-P energy: -22.052
bonds (distance) P-C4' energy: -12.987
flat angles C4'-P-C4' energy: -21.006
flat angles P-C4'-P energy: -15.076
tors. eta vs tors. theta energy: -20.915
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -273.785504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.785504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.785504 (E_RNA)
where:
Base-Base interactions energy: -147.549
where: short stacking energy: -72.785
Base-Backbone interact. energy: 0.687
local terms energy: -90.924110
where:
bonds (distance) C4'-P energy: -20.491
bonds (distance) P-C4' energy: -24.779
flat angles C4'-P-C4' energy: -21.521
flat angles P-C4'-P energy: -14.759
tors. eta vs tors. theta energy: -9.374
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -263.185368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.185368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.185368 (E_RNA)
where:
Base-Base interactions energy: -143.466
where: short stacking energy: -64.341
Base-Backbone interact. energy: -0.044
local terms energy: -83.675044
where:
bonds (distance) C4'-P energy: -16.061
bonds (distance) P-C4' energy: -22.339
flat angles C4'-P-C4' energy: -20.480
flat angles P-C4'-P energy: -13.077
tors. eta vs tors. theta energy: -11.719
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -280.206856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.206856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.206856 (E_RNA)
where:
Base-Base interactions energy: -153.533
where: short stacking energy: -66.757
Base-Backbone interact. energy: -0.219
local terms energy: -90.454728
where:
bonds (distance) C4'-P energy: -20.137
bonds (distance) P-C4' energy: -26.440
flat angles C4'-P-C4' energy: -14.604
flat angles P-C4'-P energy: -13.341
tors. eta vs tors. theta energy: -15.933
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -264.011173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.011173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.011173 (E_RNA)
where:
Base-Base interactions energy: -135.864
where: short stacking energy: -62.960
Base-Backbone interact. energy: -0.018
local terms energy: -92.129357
where:
bonds (distance) C4'-P energy: -21.221
bonds (distance) P-C4' energy: -21.642
flat angles C4'-P-C4' energy: -16.627
flat angles P-C4'-P energy: -15.984
tors. eta vs tors. theta energy: -16.656
Dist. restrs. and SS energy: -36.000 (S_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: 280
Temperature: 1.350000
Total energy: -257.240119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.240119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.840119 (E_RNA)
where:
Base-Base interactions energy: -136.820
where: short stacking energy: -47.775
Base-Backbone interact. energy: 0.331
local terms energy: -70.350297
where:
bonds (distance) C4'-P energy: -17.519
bonds (distance) P-C4' energy: -19.841
flat angles C4'-P-C4' energy: -17.306
flat angles P-C4'-P energy: -13.623
tors. eta vs tors. theta energy: -2.061
Dist. restrs. and SS energy: -50.400 (S_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: -411.777856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.777856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.377856 (E_RNA)
where:
Base-Base interactions energy: -249.898
where: short stacking energy: -102.988
Base-Backbone interact. energy: -0.524
local terms energy: -110.955852
where:
bonds (distance) C4'-P energy: -23.124
bonds (distance) P-C4' energy: -16.897
flat angles C4'-P-C4' energy: -23.995
flat angles P-C4'-P energy: -16.028
tors. eta vs tors. theta energy: -30.912
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -415.668045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.668045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.268045 (E_RNA)
where:
Base-Base interactions energy: -249.779
where: short stacking energy: -110.901
Base-Backbone interact. energy: 1.282
local terms energy: -116.771292
where:
bonds (distance) C4'-P energy: -21.970
bonds (distance) P-C4' energy: -23.461
flat angles C4'-P-C4' energy: -27.948
flat angles P-C4'-P energy: -15.908
tors. eta vs tors. theta energy: -27.485
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -394.313624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.313624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.913624 (E_RNA)
where:
Base-Base interactions energy: -240.804
where: short stacking energy: -94.359
Base-Backbone interact. energy: 0.310
local terms energy: -103.419579
where:
bonds (distance) C4'-P energy: -17.523
bonds (distance) P-C4' energy: -19.519
flat angles C4'-P-C4' energy: -22.044
flat angles P-C4'-P energy: -13.981
tors. eta vs tors. theta energy: -30.353
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -392.769929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.769929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.369929 (E_RNA)
where:
Base-Base interactions energy: -233.019
where: short stacking energy: -97.655
Base-Backbone interact. energy: -0.650
local terms energy: -108.701222
where:
bonds (distance) C4'-P energy: -18.724
bonds (distance) P-C4' energy: -19.430
flat angles C4'-P-C4' energy: -25.632
flat angles P-C4'-P energy: -18.007
tors. eta vs tors. theta energy: -26.908
Dist. restrs. and SS energy: -50.400 (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: 281
Temperature: 1.100000
Total energy: -304.184296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.184296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.984296 (E_RNA)
where:
Base-Base interactions energy: -173.459
where: short stacking energy: -82.222
Base-Backbone interact. energy: -0.145
local terms energy: -96.379601
where:
bonds (distance) C4'-P energy: -17.909
bonds (distance) P-C4' energy: -22.807
flat angles C4'-P-C4' energy: -19.651
flat angles P-C4'-P energy: -17.619
tors. eta vs tors. theta energy: -18.394
Dist. restrs. and SS energy: -34.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -285.873665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.873665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.473665 (E_RNA)
where:
Base-Base interactions energy: -154.039
where: short stacking energy: -71.455
Base-Backbone interact. energy: -0.489
local terms energy: -98.946120
where:
bonds (distance) C4'-P energy: -20.529
bonds (distance) P-C4' energy: -26.099
flat angles C4'-P-C4' energy: -23.730
flat angles P-C4'-P energy: -13.182
tors. eta vs tors. theta energy: -15.406
Dist. restrs. and SS energy: -32.400 (S_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: 281
Temperature: 1.200000
Total energy: -272.414412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.414412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.414412 (E_RNA)
where:
Base-Base interactions energy: -149.308
where: short stacking energy: -64.930
Base-Backbone interact. energy: 0.852
local terms energy: -87.958557
where:
bonds (distance) C4'-P energy: -16.173
bonds (distance) P-C4' energy: -18.452
flat angles C4'-P-C4' energy: -25.739
flat angles P-C4'-P energy: -16.060
tors. eta vs tors. theta energy: -11.534
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -287.012285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.012285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.812285 (E_RNA)
where:
Base-Base interactions energy: -162.540
where: short stacking energy: -70.384
Base-Backbone interact. energy: -0.205
local terms energy: -90.066453
where:
bonds (distance) C4'-P energy: -19.101
bonds (distance) P-C4' energy: -25.497
flat angles C4'-P-C4' energy: -12.306
flat angles P-C4'-P energy: -16.258
tors. eta vs tors. theta energy: -16.904
Dist. restrs. and SS energy: -34.200 (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: 9
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -240.490687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.490687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.490687 (E_RNA)
where:
Base-Base interactions energy: -130.043
where: short stacking energy: -63.918
Base-Backbone interact. energy: 8.774
local terms energy: -83.221947
where:
bonds (distance) C4'-P energy: -23.137
bonds (distance) P-C4' energy: -19.349
flat angles C4'-P-C4' energy: -20.072
flat angles P-C4'-P energy: -8.688
tors. eta vs tors. theta energy: -11.976
Dist. restrs. and SS energy: -36.000 (S_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: 281
Temperature: 1.350000
Total energy: -249.007277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.007277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.007277 (E_RNA)
where:
Base-Base interactions energy: -139.433
where: short stacking energy: -52.259
Base-Backbone interact. energy: -1.036
local terms energy: -72.538143
where:
bonds (distance) C4'-P energy: -13.712
bonds (distance) P-C4' energy: -23.805
flat angles C4'-P-C4' energy: -19.530
flat angles P-C4'-P energy: -11.623
tors. eta vs tors. theta energy: -3.868
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -424.499118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.499118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.099118 (E_RNA)
where:
Base-Base interactions energy: -250.629
where: short stacking energy: -95.319
Base-Backbone interact. energy: -2.480
local terms energy: -120.989882
where:
bonds (distance) C4'-P energy: -23.613
bonds (distance) P-C4' energy: -23.784
flat angles C4'-P-C4' energy: -23.368
flat angles P-C4'-P energy: -16.030
tors. eta vs tors. theta energy: -34.195
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -410.168020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.168020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.368020 (E_RNA)
where:
Base-Base interactions energy: -255.733
where: short stacking energy: -100.067
Base-Backbone interact. energy: -1.174
local terms energy: -106.461062
where:
bonds (distance) C4'-P energy: -19.456
bonds (distance) P-C4' energy: -24.050
flat angles C4'-P-C4' energy: -24.378
flat angles P-C4'-P energy: -11.299
tors. eta vs tors. theta energy: -27.279
Dist. restrs. and SS energy: -46.800 (S_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: 282
Temperature: 1.000000
Total energy: -388.997146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.997146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.597146 (E_RNA)
where:
Base-Base interactions energy: -229.550
where: short stacking energy: -87.964
Base-Backbone interact. energy: -0.561
local terms energy: -108.486092
where:
bonds (distance) C4'-P energy: -22.854
bonds (distance) P-C4' energy: -26.952
flat angles C4'-P-C4' energy: -21.209
flat angles P-C4'-P energy: -15.687
tors. eta vs tors. theta energy: -21.784
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -387.877643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.877643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.077643 (E_RNA)
where:
Base-Base interactions energy: -241.773
where: short stacking energy: -86.721
Base-Backbone interact. energy: 0.671
local terms energy: -99.976572
where:
bonds (distance) C4'-P energy: -23.510
bonds (distance) P-C4' energy: -22.482
flat angles C4'-P-C4' energy: -21.755
flat angles P-C4'-P energy: -10.444
tors. eta vs tors. theta energy: -21.785
Dist. restrs. and SS energy: -46.800 (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: 4
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -309.823919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.823919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.823919 (E_RNA)
where:
Base-Base interactions energy: -169.211
where: short stacking energy: -80.105
Base-Backbone interact. energy: -0.225
local terms energy: -104.388365
where:
bonds (distance) C4'-P energy: -23.154
bonds (distance) P-C4' energy: -24.689
flat angles C4'-P-C4' energy: -22.325
flat angles P-C4'-P energy: -11.501
tors. eta vs tors. theta energy: -22.719
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -299.522705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.522705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.322705 (E_RNA)
where:
Base-Base interactions energy: -172.234
where: short stacking energy: -80.590
Base-Backbone interact. energy: -0.598
local terms energy: -92.490589
where:
bonds (distance) C4'-P energy: -23.368
bonds (distance) P-C4' energy: -21.261
flat angles C4'-P-C4' energy: -17.524
flat angles P-C4'-P energy: -15.730
tors. eta vs tors. theta energy: -14.609
Dist. restrs. and SS energy: -34.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -262.845504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.845504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.845504 (E_RNA)
where:
Base-Base interactions energy: -146.605
where: short stacking energy: -63.795
Base-Backbone interact. energy: -0.473
local terms energy: -79.767380
where:
bonds (distance) C4'-P energy: -21.495
bonds (distance) P-C4' energy: -21.797
flat angles C4'-P-C4' energy: -19.317
flat angles P-C4'-P energy: -11.620
tors. eta vs tors. theta energy: -5.539
Dist. restrs. and SS energy: -36.000 (S_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: 282
Temperature: 1.250000
Total energy: -275.973626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.973626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.973626 (E_RNA)
where:
Base-Base interactions energy: -150.105
where: short stacking energy: -62.432
Base-Backbone interact. energy: 0.153
local terms energy: -90.021755
where:
bonds (distance) C4'-P energy: -24.661
bonds (distance) P-C4' energy: -19.809
flat angles C4'-P-C4' energy: -17.342
flat angles P-C4'-P energy: -12.357
tors. eta vs tors. theta energy: -15.853
Dist. restrs. and SS energy: -36.000 (S_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: 282
Temperature: 1.300000
Total energy: -262.223477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.223477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.223477 (E_RNA)
where:
Base-Base interactions energy: -131.109
where: short stacking energy: -61.346
Base-Backbone interact. energy: -0.160
local terms energy: -94.954665
where:
bonds (distance) C4'-P energy: -19.622
bonds (distance) P-C4' energy: -23.835
flat angles C4'-P-C4' energy: -26.669
flat angles P-C4'-P energy: -10.784
tors. eta vs tors. theta energy: -14.044
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -259.855225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.855225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.655225 (E_RNA)
where:
Base-Base interactions energy: -143.902
where: short stacking energy: -71.562
Base-Backbone interact. energy: -0.041
local terms energy: -81.711914
where:
bonds (distance) C4'-P energy: -14.427
bonds (distance) P-C4' energy: -19.390
flat angles C4'-P-C4' energy: -15.601
flat angles P-C4'-P energy: -13.370
tors. eta vs tors. theta energy: -18.924
Dist. restrs. and SS energy: -34.200 (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: 283
Temperature: 0.900000
Total energy: -425.720420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.720420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.920420 (E_RNA)
where:
Base-Base interactions energy: -254.698
where: short stacking energy: -98.694
Base-Backbone interact. energy: -1.146
local terms energy: -123.075991
where:
bonds (distance) C4'-P energy: -24.367
bonds (distance) P-C4' energy: -25.268
flat angles C4'-P-C4' energy: -24.297
flat angles P-C4'-P energy: -17.129
tors. eta vs tors. theta energy: -32.015
Dist. restrs. and SS energy: -46.800 (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: 10
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -418.987168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.987168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.587168 (E_RNA)
where:
Base-Base interactions energy: -261.345
where: short stacking energy: -103.295
Base-Backbone interact. energy: -0.863
local terms energy: -106.378886
where:
bonds (distance) C4'-P energy: -19.848
bonds (distance) P-C4' energy: -24.367
flat angles C4'-P-C4' energy: -24.833
flat angles P-C4'-P energy: -12.926
tors. eta vs tors. theta energy: -24.405
Dist. restrs. and SS energy: -50.400 (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: 283
Temperature: 1.000000
Total energy: -398.116946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.116946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.716946 (E_RNA)
where:
Base-Base interactions energy: -238.391
where: short stacking energy: -94.276
Base-Backbone interact. energy: -0.379
local terms energy: -108.946549
where:
bonds (distance) C4'-P energy: -25.393
bonds (distance) P-C4' energy: -26.096
flat angles C4'-P-C4' energy: -14.042
flat angles P-C4'-P energy: -17.398
tors. eta vs tors. theta energy: -26.018
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -394.667856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.667856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.267856 (E_RNA)
where:
Base-Base interactions energy: -241.547
where: short stacking energy: -88.291
Base-Backbone interact. energy: -1.003
local terms energy: -101.717785
where:
bonds (distance) C4'-P energy: -24.944
bonds (distance) P-C4' energy: -23.920
flat angles C4'-P-C4' energy: -23.142
flat angles P-C4'-P energy: -8.903
tors. eta vs tors. theta energy: -20.809
Dist. restrs. and SS energy: -50.400 (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: 4
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -322.104571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.104571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.104571 (E_RNA)
where:
Base-Base interactions energy: -188.741
where: short stacking energy: -76.954
Base-Backbone interact. energy: -0.289
local terms energy: -97.075043
where:
bonds (distance) C4'-P energy: -20.736
bonds (distance) P-C4' energy: -20.974
flat angles C4'-P-C4' energy: -22.657
flat angles P-C4'-P energy: -12.437
tors. eta vs tors. theta energy: -20.271
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -288.814589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.814589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.814589 (E_RNA)
where:
Base-Base interactions energy: -156.658
where: short stacking energy: -69.881
Base-Backbone interact. energy: -0.246
local terms energy: -95.909947
where:
bonds (distance) C4'-P energy: -22.805
bonds (distance) P-C4' energy: -17.895
flat angles C4'-P-C4' energy: -22.940
flat angles P-C4'-P energy: -10.617
tors. eta vs tors. theta energy: -21.652
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -315.701342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.701342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.701342 (E_RNA)
where:
Base-Base interactions energy: -184.792
where: short stacking energy: -84.399
Base-Backbone interact. energy: 0.441
local terms energy: -95.350369
where:
bonds (distance) C4'-P energy: -20.618
bonds (distance) P-C4' energy: -16.702
flat angles C4'-P-C4' energy: -21.206
flat angles P-C4'-P energy: -12.189
tors. eta vs tors. theta energy: -24.635
Dist. restrs. and SS energy: -36.000 (S_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: 283
Temperature: 1.250000
Total energy: -278.007586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.007586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.007586 (E_RNA)
where:
Base-Base interactions energy: -154.217
where: short stacking energy: -73.027
Base-Backbone interact. energy: -0.381
local terms energy: -87.409773
where:
bonds (distance) C4'-P energy: -14.634
bonds (distance) P-C4' energy: -22.950
flat angles C4'-P-C4' energy: -23.221
flat angles P-C4'-P energy: -11.651
tors. eta vs tors. theta energy: -14.955
Dist. restrs. and SS energy: -36.000 (S_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: 283
Temperature: 1.300000
Total energy: -264.704092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.704092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.504092 (E_RNA)
where:
Base-Base interactions energy: -143.547
where: short stacking energy: -57.692
Base-Backbone interact. energy: -0.411
local terms energy: -86.545944
where:
bonds (distance) C4'-P energy: -13.140
bonds (distance) P-C4' energy: -20.885
flat angles C4'-P-C4' energy: -24.062
flat angles P-C4'-P energy: -15.467
tors. eta vs tors. theta energy: -12.992
Dist. restrs. and SS energy: -34.200 (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: 9
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -239.879964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.879964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.879964 (E_RNA)
where:
Base-Base interactions energy: -138.287
where: short stacking energy: -67.911
Base-Backbone interact. energy: 0.007
local terms energy: -65.599898
where:
bonds (distance) C4'-P energy: -19.047
bonds (distance) P-C4' energy: -13.441
flat angles C4'-P-C4' energy: -16.209
flat angles P-C4'-P energy: -5.589
tors. eta vs tors. theta energy: -11.313
Dist. restrs. and SS energy: -36.000 (S_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: 284
Temperature: 0.900000
Total energy: -411.482370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.482370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.082370 (E_RNA)
where:
Base-Base interactions energy: -257.782
where: short stacking energy: -105.028
Base-Backbone interact. energy: 0.292
local terms energy: -103.592044
where:
bonds (distance) C4'-P energy: -19.948
bonds (distance) P-C4' energy: -17.644
flat angles C4'-P-C4' energy: -24.150
flat angles P-C4'-P energy: -14.444
tors. eta vs tors. theta energy: -27.406
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -412.603717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.603717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.403717 (E_RNA)
where:
Base-Base interactions energy: -257.244
where: short stacking energy: -100.382
Base-Backbone interact. energy: -1.424
local terms energy: -110.735450
where:
bonds (distance) C4'-P energy: -19.506
bonds (distance) P-C4' energy: -19.895
flat angles C4'-P-C4' energy: -24.396
flat angles P-C4'-P energy: -16.844
tors. eta vs tors. theta energy: -30.094
Dist. restrs. and SS energy: -43.200 (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: 5
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -406.132122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.132122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.732122 (E_RNA)
where:
Base-Base interactions energy: -253.501
where: short stacking energy: -93.810
Base-Backbone interact. energy: -0.492
local terms energy: -101.738814
where:
bonds (distance) C4'-P energy: -21.382
bonds (distance) P-C4' energy: -20.042
flat angles C4'-P-C4' energy: -22.010
flat angles P-C4'-P energy: -13.302
tors. eta vs tors. theta energy: -25.003
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -414.129198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.129198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.729198 (E_RNA)
where:
Base-Base interactions energy: -254.231
where: short stacking energy: -99.939
Base-Backbone interact. energy: -0.810
local terms energy: -108.688499
where:
bonds (distance) C4'-P energy: -20.060
bonds (distance) P-C4' energy: -19.900
flat angles C4'-P-C4' energy: -26.740
flat angles P-C4'-P energy: -13.253
tors. eta vs tors. theta energy: -28.736
Dist. restrs. and SS energy: -50.400 (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: 4
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -324.656410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.656410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.656410 (E_RNA)
where:
Base-Base interactions energy: -199.440
where: short stacking energy: -79.070
Base-Backbone interact. energy: -0.390
local terms energy: -88.825999
where:
bonds (distance) C4'-P energy: -23.084
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -21.212
flat angles P-C4'-P energy: -11.356
tors. eta vs tors. theta energy: -15.870
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -287.356269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.356269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.356269 (E_RNA)
where:
Base-Base interactions energy: -167.695
where: short stacking energy: -63.208
Base-Backbone interact. energy: 0.505
local terms energy: -84.166087
where:
bonds (distance) C4'-P energy: -13.352
bonds (distance) P-C4' energy: -18.954
flat angles C4'-P-C4' energy: -21.131
flat angles P-C4'-P energy: -16.210
tors. eta vs tors. theta energy: -14.520
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -283.997651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.997651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.797651 (E_RNA)
where:
Base-Base interactions energy: -153.617
where: short stacking energy: -84.696
Base-Backbone interact. energy: -0.269
local terms energy: -95.911843
where:
bonds (distance) C4'-P energy: -22.193
bonds (distance) P-C4' energy: -24.399
flat angles C4'-P-C4' energy: -20.114
flat angles P-C4'-P energy: -11.028
tors. eta vs tors. theta energy: -18.178
Dist. restrs. and SS energy: -34.200 (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: 6
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -277.624560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.624560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.624560 (E_RNA)
where:
Base-Base interactions energy: -153.151
where: short stacking energy: -72.569
Base-Backbone interact. energy: 0.179
local terms energy: -88.653188
where:
bonds (distance) C4'-P energy: -13.291
bonds (distance) P-C4' energy: -15.960
flat angles C4'-P-C4' energy: -23.425
flat angles P-C4'-P energy: -18.917
tors. eta vs tors. theta energy: -17.060
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -258.585488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.585488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.585488 (E_RNA)
where:
Base-Base interactions energy: -145.267
where: short stacking energy: -63.294
Base-Backbone interact. energy: 0.835
local terms energy: -78.153545
where:
bonds (distance) C4'-P energy: -18.060
bonds (distance) P-C4' energy: -18.913
flat angles C4'-P-C4' energy: -15.537
flat angles P-C4'-P energy: -11.972
tors. eta vs tors. theta energy: -13.671
Dist. restrs. and SS energy: -36.000 (S_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: 284
Temperature: 1.350000
Total energy: -248.713111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.713111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.713111 (E_RNA)
where:
Base-Base interactions energy: -132.668
where: short stacking energy: -64.708
Base-Backbone interact. energy: -1.194
local terms energy: -78.850996
where:
bonds (distance) C4'-P energy: -17.532
bonds (distance) P-C4' energy: -23.369
flat angles C4'-P-C4' energy: -19.867
flat angles P-C4'-P energy: -7.712
tors. eta vs tors. theta energy: -10.372
Dist. restrs. and SS energy: -36.000 (S_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: 285
Temperature: 0.900000
Total energy: -421.898106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.898106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.498106 (E_RNA)
where:
Base-Base interactions energy: -251.560
where: short stacking energy: -106.786
Base-Backbone interact. energy: 1.403
local terms energy: -121.341216
where:
bonds (distance) C4'-P energy: -20.803
bonds (distance) P-C4' energy: -25.902
flat angles C4'-P-C4' energy: -24.272
flat angles P-C4'-P energy: -19.502
tors. eta vs tors. theta energy: -30.862
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -420.250283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.250283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.850283 (E_RNA)
where:
Base-Base interactions energy: -261.913
where: short stacking energy: -93.095
Base-Backbone interact. energy: -3.362
local terms energy: -104.575353
where:
bonds (distance) C4'-P energy: -19.631
bonds (distance) P-C4' energy: -23.557
flat angles C4'-P-C4' energy: -24.768
flat angles P-C4'-P energy: -10.088
tors. eta vs tors. theta energy: -26.532
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -406.489158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.489158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.889158 (E_RNA)
where:
Base-Base interactions energy: -249.984
where: short stacking energy: -85.292
Base-Backbone interact. energy: -0.064
local terms energy: -107.841145
where:
bonds (distance) C4'-P energy: -19.264
bonds (distance) P-C4' energy: -18.679
flat angles C4'-P-C4' energy: -24.104
flat angles P-C4'-P energy: -16.933
tors. eta vs tors. theta energy: -28.862
Dist. restrs. and SS energy: -48.600 (S_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: 285
Temperature: 1.050000
Total energy: -406.014597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.014597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.614597 (E_RNA)
where:
Base-Base interactions energy: -237.433
where: short stacking energy: -95.574
Base-Backbone interact. energy: -0.157
local terms energy: -118.024369
where:
bonds (distance) C4'-P energy: -23.485
bonds (distance) P-C4' energy: -19.691
flat angles C4'-P-C4' energy: -29.006
flat angles P-C4'-P energy: -15.700
tors. eta vs tors. theta energy: -30.143
Dist. restrs. and SS energy: -50.400 (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: 4
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -319.715651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.715651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.715651 (E_RNA)
where:
Base-Base interactions energy: -177.676
where: short stacking energy: -79.966
Base-Backbone interact. energy: -0.521
local terms energy: -105.518607
where:
bonds (distance) C4'-P energy: -21.271
bonds (distance) P-C4' energy: -26.304
flat angles C4'-P-C4' energy: -25.367
flat angles P-C4'-P energy: -12.538
tors. eta vs tors. theta energy: -20.039
Dist. restrs. and SS energy: -36.000 (S_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: 285
Temperature: 1.150000
Total energy: -308.292578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.292578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.292578 (E_RNA)
where:
Base-Base interactions energy: -169.723
where: short stacking energy: -82.200
Base-Backbone interact. energy: -0.018
local terms energy: -102.551459
where:
bonds (distance) C4'-P energy: -24.425
bonds (distance) P-C4' energy: -19.979
flat angles C4'-P-C4' energy: -22.924
flat angles P-C4'-P energy: -13.524
tors. eta vs tors. theta energy: -21.700
Dist. restrs. and SS energy: -36.000 (S_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: 285
Temperature: 1.200000
Total energy: -287.315026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.315026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.115026 (E_RNA)
where:
Base-Base interactions energy: -154.309
where: short stacking energy: -61.050
Base-Backbone interact. energy: 0.182
local terms energy: -89.987738
where:
bonds (distance) C4'-P energy: -20.728
bonds (distance) P-C4' energy: -21.602
flat angles C4'-P-C4' energy: -19.604
flat angles P-C4'-P energy: -16.162
tors. eta vs tors. theta energy: -11.891
Dist. restrs. and SS energy: -43.200 (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: 6
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -283.308611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.308611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.308611 (E_RNA)
where:
Base-Base interactions energy: -151.715
where: short stacking energy: -66.225
Base-Backbone interact. energy: -0.225
local terms energy: -95.368825
where:
bonds (distance) C4'-P energy: -17.835
bonds (distance) P-C4' energy: -20.243
flat angles C4'-P-C4' energy: -20.367
flat angles P-C4'-P energy: -19.949
tors. eta vs tors. theta energy: -16.975
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -255.075298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.075298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.075298 (E_RNA)
where:
Base-Base interactions energy: -132.162
where: short stacking energy: -56.308
Base-Backbone interact. energy: -0.490
local terms energy: -86.423139
where:
bonds (distance) C4'-P energy: -17.953
bonds (distance) P-C4' energy: -25.049
flat angles C4'-P-C4' energy: -20.232
flat angles P-C4'-P energy: -11.510
tors. eta vs tors. theta energy: -11.679
Dist. restrs. and SS energy: -36.000 (S_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: 285
Temperature: 1.350000
Total energy: -239.700851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.700851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.700851 (E_RNA)
where:
Base-Base interactions energy: -130.426
where: short stacking energy: -62.412
Base-Backbone interact. energy: -0.111
local terms energy: -73.164002
where:
bonds (distance) C4'-P energy: -18.231
bonds (distance) P-C4' energy: -16.772
flat angles C4'-P-C4' energy: -14.333
flat angles P-C4'-P energy: -10.880
tors. eta vs tors. theta energy: -12.947
Dist. restrs. and SS energy: -36.000 (S_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: 286
Temperature: 0.900000
Total energy: -413.145822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.145822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.745822 (E_RNA)
where:
Base-Base interactions energy: -242.206
where: short stacking energy: -97.874
Base-Backbone interact. energy: -3.038
local terms energy: -117.502512
where:
bonds (distance) C4'-P energy: -24.734
bonds (distance) P-C4' energy: -26.121
flat angles C4'-P-C4' energy: -23.788
flat angles P-C4'-P energy: -16.315
tors. eta vs tors. theta energy: -26.544
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -412.407868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.407868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.007868 (E_RNA)
where:
Base-Base interactions energy: -243.175
where: short stacking energy: -93.274
Base-Backbone interact. energy: -0.906
local terms energy: -117.927233
where:
bonds (distance) C4'-P energy: -25.907
bonds (distance) P-C4' energy: -26.379
flat angles C4'-P-C4' energy: -22.660
flat angles P-C4'-P energy: -16.393
tors. eta vs tors. theta energy: -26.589
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -399.501822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.501822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.101822 (E_RNA)
where:
Base-Base interactions energy: -236.071
where: short stacking energy: -96.584
Base-Backbone interact. energy: -0.270
local terms energy: -112.761162
where:
bonds (distance) C4'-P energy: -20.089
bonds (distance) P-C4' energy: -21.945
flat angles C4'-P-C4' energy: -21.340
flat angles P-C4'-P energy: -19.862
tors. eta vs tors. theta energy: -29.525
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -395.875508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.875508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.075508 (E_RNA)
where:
Base-Base interactions energy: -237.327
where: short stacking energy: -99.554
Base-Backbone interact. energy: -1.162
local terms energy: -110.586625
where:
bonds (distance) C4'-P energy: -19.076
bonds (distance) P-C4' energy: -18.949
flat angles C4'-P-C4' energy: -27.817
flat angles P-C4'-P energy: -14.767
tors. eta vs tors. theta energy: -29.978
Dist. restrs. and SS energy: -46.800 (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: 2
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -325.542195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.542195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.342195 (E_RNA)
where:
Base-Base interactions energy: -184.416
where: short stacking energy: -86.543
Base-Backbone interact. energy: -0.122
local terms energy: -106.803797
where:
bonds (distance) C4'-P energy: -23.703
bonds (distance) P-C4' energy: -20.431
flat angles C4'-P-C4' energy: -18.503
flat angles P-C4'-P energy: -19.723
tors. eta vs tors. theta energy: -24.444
Dist. restrs. and SS energy: -34.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -300.949998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.949998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.949998 (E_RNA)
where:
Base-Base interactions energy: -167.459
where: short stacking energy: -74.283
Base-Backbone interact. energy: 0.249
local terms energy: -97.740718
where:
bonds (distance) C4'-P energy: -18.466
bonds (distance) P-C4' energy: -22.698
flat angles C4'-P-C4' energy: -23.349
flat angles P-C4'-P energy: -14.620
tors. eta vs tors. theta energy: -18.609
Dist. restrs. and SS energy: -36.000 (S_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: 286
Temperature: 1.200000
Total energy: -271.455353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.455353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.455353 (E_RNA)
where:
Base-Base interactions energy: -155.696
where: short stacking energy: -72.778
Base-Backbone interact. energy: 3.851
local terms energy: -83.610456
where:
bonds (distance) C4'-P energy: -19.053
bonds (distance) P-C4' energy: -17.210
flat angles C4'-P-C4' energy: -22.148
flat angles P-C4'-P energy: -8.982
tors. eta vs tors. theta energy: -16.217
Dist. restrs. and SS energy: -36.000 (S_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: 286
Temperature: 1.250000
Total energy: -287.839440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.839440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.039440 (E_RNA)
where:
Base-Base interactions energy: -158.596
where: short stacking energy: -65.447
Base-Backbone interact. energy: -0.285
local terms energy: -82.158225
where:
bonds (distance) C4'-P energy: -18.821
bonds (distance) P-C4' energy: -20.693
flat angles C4'-P-C4' energy: -15.310
flat angles P-C4'-P energy: -16.381
tors. eta vs tors. theta energy: -10.953
Dist. restrs. and SS energy: -46.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -253.125757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.125757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.125757 (E_RNA)
where:
Base-Base interactions energy: -145.851
where: short stacking energy: -61.402
Base-Backbone interact. energy: -1.655
local terms energy: -69.619202
where:
bonds (distance) C4'-P energy: -16.431
bonds (distance) P-C4' energy: -12.384
flat angles C4'-P-C4' energy: -17.375
flat angles P-C4'-P energy: -14.257
tors. eta vs tors. theta energy: -9.172
Dist. restrs. and SS energy: -36.000 (S_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: 286
Temperature: 1.350000
Total energy: -249.557377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.557377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.557377 (E_RNA)
where:
Base-Base interactions energy: -138.798
where: short stacking energy: -60.536
Base-Backbone interact. energy: -0.160
local terms energy: -74.599667
where:
bonds (distance) C4'-P energy: -15.114
bonds (distance) P-C4' energy: -20.318
flat angles C4'-P-C4' energy: -19.974
flat angles P-C4'-P energy: -9.094
tors. eta vs tors. theta energy: -10.100
Dist. restrs. and SS energy: -36.000 (S_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: 287
Temperature: 0.900000
Total energy: -416.268497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.268497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.868497 (E_RNA)
where:
Base-Base interactions energy: -250.194
where: short stacking energy: -102.269
Base-Backbone interact. energy: -1.571
local terms energy: -114.103409
where:
bonds (distance) C4'-P energy: -20.919
bonds (distance) P-C4' energy: -21.280
flat angles C4'-P-C4' energy: -25.840
flat angles P-C4'-P energy: -17.638
tors. eta vs tors. theta energy: -28.427
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -411.758503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.758503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.358503 (E_RNA)
where:
Base-Base interactions energy: -246.260
where: short stacking energy: -101.062
Base-Backbone interact. energy: -0.872
local terms energy: -114.226200
where:
bonds (distance) C4'-P energy: -23.273
bonds (distance) P-C4' energy: -23.452
flat angles C4'-P-C4' energy: -21.285
flat angles P-C4'-P energy: -17.543
tors. eta vs tors. theta energy: -28.673
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -397.859191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.859191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.459191 (E_RNA)
where:
Base-Base interactions energy: -249.278
where: short stacking energy: -98.542
Base-Backbone interact. energy: -0.420
local terms energy: -97.760734
where:
bonds (distance) C4'-P energy: -22.098
bonds (distance) P-C4' energy: -14.669
flat angles C4'-P-C4' energy: -21.421
flat angles P-C4'-P energy: -10.520
tors. eta vs tors. theta energy: -29.051
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -393.264006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.264006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.664006 (E_RNA)
where:
Base-Base interactions energy: -241.889
where: short stacking energy: -89.693
Base-Backbone interact. energy: -0.654
local terms energy: -102.120649
where:
bonds (distance) C4'-P energy: -18.972
bonds (distance) P-C4' energy: -18.171
flat angles C4'-P-C4' energy: -21.401
flat angles P-C4'-P energy: -16.136
tors. eta vs tors. theta energy: -27.440
Dist. restrs. and SS energy: -48.600 (S_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: -293.663034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.663034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.663034 (E_RNA)
where:
Base-Base interactions energy: -161.917
where: short stacking energy: -77.217
Base-Backbone interact. energy: -0.331
local terms energy: -95.415452
where:
bonds (distance) C4'-P energy: -19.352
bonds (distance) P-C4' energy: -21.762
flat angles C4'-P-C4' energy: -24.421
flat angles P-C4'-P energy: -11.832
tors. eta vs tors. theta energy: -18.049
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -282.028500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.028500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.028500 (E_RNA)
where:
Base-Base interactions energy: -157.158
where: short stacking energy: -64.653
Base-Backbone interact. energy: -0.139
local terms energy: -88.731720
where:
bonds (distance) C4'-P energy: -19.507
bonds (distance) P-C4' energy: -27.953
flat angles C4'-P-C4' energy: -16.701
flat angles P-C4'-P energy: -16.029
tors. eta vs tors. theta energy: -8.542
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -305.329897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.329897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.329897 (E_RNA)
where:
Base-Base interactions energy: -170.248
where: short stacking energy: -84.757
Base-Backbone interact. energy: -2.787
local terms energy: -96.294944
where:
bonds (distance) C4'-P energy: -19.879
bonds (distance) P-C4' energy: -17.779
flat angles C4'-P-C4' energy: -20.181
flat angles P-C4'-P energy: -11.814
tors. eta vs tors. theta energy: -26.642
Dist. restrs. and SS energy: -36.000 (S_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: 287
Temperature: 1.250000
Total energy: -300.402263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.402263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.002263 (E_RNA)
where:
Base-Base interactions energy: -159.272
where: short stacking energy: -64.128
Base-Backbone interact. energy: -0.340
local terms energy: -90.390717
where:
bonds (distance) C4'-P energy: -16.363
bonds (distance) P-C4' energy: -21.703
flat angles C4'-P-C4' energy: -26.531
flat angles P-C4'-P energy: -10.515
tors. eta vs tors. theta energy: -15.277
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -269.169280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.169280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.769280 (E_RNA)
where:
Base-Base interactions energy: -148.221
where: short stacking energy: -66.600
Base-Backbone interact. energy: -1.516
local terms energy: -87.031500
where:
bonds (distance) C4'-P energy: -12.679
bonds (distance) P-C4' energy: -24.148
flat angles C4'-P-C4' energy: -23.093
flat angles P-C4'-P energy: -12.214
tors. eta vs tors. theta energy: -14.897
Dist. restrs. and SS energy: -32.400 (S_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: 287
Temperature: 1.350000
Total energy: -250.197173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.197173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.197173 (E_RNA)
where:
Base-Base interactions energy: -136.021
where: short stacking energy: -63.958
Base-Backbone interact. energy: -0.220
local terms energy: -77.956465
where:
bonds (distance) C4'-P energy: -16.757
bonds (distance) P-C4' energy: -21.809
flat angles C4'-P-C4' energy: -14.575
flat angles P-C4'-P energy: -10.379
tors. eta vs tors. theta energy: -14.437
Dist. restrs. and SS energy: -36.000 (S_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: 288
Temperature: 0.900000
Total energy: -417.102500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.102500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.702500 (E_RNA)
where:
Base-Base interactions energy: -257.831
where: short stacking energy: -92.333
Base-Backbone interact. energy: -2.341
local terms energy: -106.530898
where:
bonds (distance) C4'-P energy: -17.224
bonds (distance) P-C4' energy: -23.128
flat angles C4'-P-C4' energy: -22.769
flat angles P-C4'-P energy: -18.296
tors. eta vs tors. theta energy: -25.114
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -418.039652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.039652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.639652 (E_RNA)
where:
Base-Base interactions energy: -253.981
where: short stacking energy: -104.868
Base-Backbone interact. energy: -1.356
local terms energy: -112.302251
where:
bonds (distance) C4'-P energy: -22.795
bonds (distance) P-C4' energy: -21.208
flat angles C4'-P-C4' energy: -26.055
flat angles P-C4'-P energy: -13.518
tors. eta vs tors. theta energy: -28.727
Dist. restrs. and SS energy: -50.400 (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: 288
Temperature: 1.000000
Total energy: -397.498782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.498782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.098782 (E_RNA)
where:
Base-Base interactions energy: -236.736
where: short stacking energy: -97.011
Base-Backbone interact. energy: -0.624
local terms energy: -109.739289
where:
bonds (distance) C4'-P energy: -22.826
bonds (distance) P-C4' energy: -21.117
flat angles C4'-P-C4' energy: -25.134
flat angles P-C4'-P energy: -16.929
tors. eta vs tors. theta energy: -23.734
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -402.465576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.465576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.065576 (E_RNA)
where:
Base-Base interactions energy: -239.729
where: short stacking energy: -96.528
Base-Backbone interact. energy: -0.285
local terms energy: -112.051016
where:
bonds (distance) C4'-P energy: -23.659
bonds (distance) P-C4' energy: -19.551
flat angles C4'-P-C4' energy: -21.384
flat angles P-C4'-P energy: -17.138
tors. eta vs tors. theta energy: -30.319
Dist. restrs. and SS energy: -50.400 (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: 288
Temperature: 1.100000
Total energy: -295.012575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.012575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.012575 (E_RNA)
where:
Base-Base interactions energy: -146.101
where: short stacking energy: -78.827
Base-Backbone interact. energy: -0.022
local terms energy: -112.890199
where:
bonds (distance) C4'-P energy: -20.426
bonds (distance) P-C4' energy: -23.366
flat angles C4'-P-C4' energy: -26.731
flat angles P-C4'-P energy: -19.504
tors. eta vs tors. theta energy: -22.864
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -302.431870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.431870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.231870 (E_RNA)
where:
Base-Base interactions energy: -175.224
where: short stacking energy: -87.843
Base-Backbone interact. energy: -0.148
local terms energy: -92.860179
where:
bonds (distance) C4'-P energy: -19.462
bonds (distance) P-C4' energy: -15.632
flat angles C4'-P-C4' energy: -23.557
flat angles P-C4'-P energy: -11.044
tors. eta vs tors. theta energy: -23.165
Dist. restrs. and SS energy: -34.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -288.183738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.183738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.183738 (E_RNA)
where:
Base-Base interactions energy: -155.421
where: short stacking energy: -71.124
Base-Backbone interact. energy: -0.753
local terms energy: -96.009514
where:
bonds (distance) C4'-P energy: -22.657
bonds (distance) P-C4' energy: -19.426
flat angles C4'-P-C4' energy: -21.776
flat angles P-C4'-P energy: -15.965
tors. eta vs tors. theta energy: -16.185
Dist. restrs. and SS energy: -36.000 (S_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: 288
Temperature: 1.250000
Total energy: -285.057538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.057538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.257538 (E_RNA)
where:
Base-Base interactions energy: -152.001
where: short stacking energy: -71.227
Base-Backbone interact. energy: -0.561
local terms energy: -94.696112
where:
bonds (distance) C4'-P energy: -24.722
bonds (distance) P-C4' energy: -22.319
flat angles C4'-P-C4' energy: -19.878
flat angles P-C4'-P energy: -9.823
tors. eta vs tors. theta energy: -17.953
Dist. restrs. and SS energy: -37.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -260.608286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.608286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.608286 (E_RNA)
where:
Base-Base interactions energy: -150.161
where: short stacking energy: -67.163
Base-Backbone interact. energy: -0.100
local terms energy: -74.346612
where:
bonds (distance) C4'-P energy: -13.294
bonds (distance) P-C4' energy: -22.084
flat angles C4'-P-C4' energy: -15.311
flat angles P-C4'-P energy: -12.536
tors. eta vs tors. theta energy: -11.121
Dist. restrs. and SS energy: -36.000 (S_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: 288
Temperature: 1.350000
Total energy: -266.906531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.906531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.906531 (E_RNA)
where:
Base-Base interactions energy: -139.726
where: short stacking energy: -65.893
Base-Backbone interact. energy: 0.009
local terms energy: -91.189435
where:
bonds (distance) C4'-P energy: -21.655
bonds (distance) P-C4' energy: -19.272
flat angles C4'-P-C4' energy: -18.930
flat angles P-C4'-P energy: -15.395
tors. eta vs tors. theta energy: -15.938
Dist. restrs. and SS energy: -36.000 (S_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: 289
Temperature: 0.900000
Total energy: -417.227919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.227919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.827919 (E_RNA)
where:
Base-Base interactions energy: -255.566
where: short stacking energy: -98.027
Base-Backbone interact. energy: -2.818
local terms energy: -108.444513
where:
bonds (distance) C4'-P energy: -19.746
bonds (distance) P-C4' energy: -26.356
flat angles C4'-P-C4' energy: -23.415
flat angles P-C4'-P energy: -13.867
tors. eta vs tors. theta energy: -25.061
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -420.814109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.814109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.414109 (E_RNA)
where:
Base-Base interactions energy: -253.100
where: short stacking energy: -103.127
Base-Backbone interact. energy: -1.348
local terms energy: -115.965788
where:
bonds (distance) C4'-P energy: -24.531
bonds (distance) P-C4' energy: -22.533
flat angles C4'-P-C4' energy: -22.755
flat angles P-C4'-P energy: -17.952
tors. eta vs tors. theta energy: -28.196
Dist. restrs. and SS energy: -50.400 (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: 289
Temperature: 1.000000
Total energy: -392.492243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.492243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.092243 (E_RNA)
where:
Base-Base interactions energy: -225.233
where: short stacking energy: -84.830
Base-Backbone interact. energy: -1.344
local terms energy: -115.515264
where:
bonds (distance) C4'-P energy: -21.068
bonds (distance) P-C4' energy: -24.052
flat angles C4'-P-C4' energy: -21.888
flat angles P-C4'-P energy: -18.696
tors. eta vs tors. theta energy: -29.811
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -397.375977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.375977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.375977 (E_RNA)
where:
Base-Base interactions energy: -245.469
where: short stacking energy: -101.009
Base-Backbone interact. energy: -0.610
local terms energy: -106.297390
where:
bonds (distance) C4'-P energy: -18.861
bonds (distance) P-C4' energy: -24.120
flat angles C4'-P-C4' energy: -21.589
flat angles P-C4'-P energy: -11.541
tors. eta vs tors. theta energy: -30.187
Dist. restrs. and SS energy: -45.000 (S_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: 289
Temperature: 1.100000
Total energy: -304.186365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.186365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.186365 (E_RNA)
where:
Base-Base interactions energy: -178.586
where: short stacking energy: -62.061
Base-Backbone interact. energy: -0.516
local terms energy: -89.083794
where:
bonds (distance) C4'-P energy: -18.423
bonds (distance) P-C4' energy: -25.913
flat angles C4'-P-C4' energy: -17.587
flat angles P-C4'-P energy: -15.582
tors. eta vs tors. theta energy: -11.578
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -286.673063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.673063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.673063 (E_RNA)
where:
Base-Base interactions energy: -159.359
where: short stacking energy: -73.599
Base-Backbone interact. energy: 1.158
local terms energy: -92.472291
where:
bonds (distance) C4'-P energy: -14.568
bonds (distance) P-C4' energy: -21.444
flat angles C4'-P-C4' energy: -24.925
flat angles P-C4'-P energy: -16.296
tors. eta vs tors. theta energy: -15.239
Dist. restrs. and SS energy: -36.000 (S_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: 289
Temperature: 1.200000
Total energy: -286.698800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.698800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.698800 (E_RNA)
where:
Base-Base interactions energy: -174.042
where: short stacking energy: -77.525
Base-Backbone interact. energy: 0.745
local terms energy: -77.401943
where:
bonds (distance) C4'-P energy: -16.011
bonds (distance) P-C4' energy: -16.428
flat angles C4'-P-C4' energy: -20.549
flat angles P-C4'-P energy: -5.126
tors. eta vs tors. theta energy: -19.288
Dist. restrs. and SS energy: -36.000 (S_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: 289
Temperature: 1.250000
Total energy: -286.764247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.764247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.764247 (E_RNA)
where:
Base-Base interactions energy: -158.120
where: short stacking energy: -77.379
Base-Backbone interact. energy: -0.075
local terms energy: -92.568636
where:
bonds (distance) C4'-P energy: -17.295
bonds (distance) P-C4' energy: -20.594
flat angles C4'-P-C4' energy: -21.685
flat angles P-C4'-P energy: -17.400
tors. eta vs tors. theta energy: -15.593
Dist. restrs. and SS energy: -36.000 (S_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: 289
Temperature: 1.300000
Total energy: -308.673220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.673220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.273220 (E_RNA)
where:
Base-Base interactions energy: -172.918
where: short stacking energy: -70.766
Base-Backbone interact. energy: -0.071
local terms energy: -94.284932
where:
bonds (distance) C4'-P energy: -19.146
bonds (distance) P-C4' energy: -26.364
flat angles C4'-P-C4' energy: -21.183
flat angles P-C4'-P energy: -12.592
tors. eta vs tors. theta energy: -15.001
Dist. restrs. and SS energy: -41.400 (S_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: 289
Temperature: 1.350000
Total energy: -268.516195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.516195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.516195 (E_RNA)
where:
Base-Base interactions energy: -149.922
where: short stacking energy: -66.608
Base-Backbone interact. energy: -1.116
local terms energy: -81.478136
where:
bonds (distance) C4'-P energy: -20.875
bonds (distance) P-C4' energy: -18.915
flat angles C4'-P-C4' energy: -15.373
flat angles P-C4'-P energy: -11.484
tors. eta vs tors. theta energy: -14.831
Dist. restrs. and SS energy: -36.000 (S_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: 290
Temperature: 0.900000
Total energy: -414.270706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.270706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.870706 (E_RNA)
where:
Base-Base interactions energy: -249.730
where: short stacking energy: -103.564
Base-Backbone interact. energy: -0.737
local terms energy: -113.403530
where:
bonds (distance) C4'-P energy: -22.558
bonds (distance) P-C4' energy: -18.819
flat angles C4'-P-C4' energy: -23.308
flat angles P-C4'-P energy: -20.672
tors. eta vs tors. theta energy: -28.046
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -405.140604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.140604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.740604 (E_RNA)
where:
Base-Base interactions energy: -245.423
where: short stacking energy: -98.516
Base-Backbone interact. energy: -2.058
local terms energy: -107.258961
where:
bonds (distance) C4'-P energy: -23.009
bonds (distance) P-C4' energy: -24.596
flat angles C4'-P-C4' energy: -19.335
flat angles P-C4'-P energy: -14.674
tors. eta vs tors. theta energy: -25.644
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -406.887087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.887087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.487087 (E_RNA)
where:
Base-Base interactions energy: -247.346
where: short stacking energy: -96.796
Base-Backbone interact. energy: -0.618
local terms energy: -108.523476
where:
bonds (distance) C4'-P energy: -18.930
bonds (distance) P-C4' energy: -22.671
flat angles C4'-P-C4' energy: -22.364
flat angles P-C4'-P energy: -17.388
tors. eta vs tors. theta energy: -27.170
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -391.931730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.931730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.331730 (E_RNA)
where:
Base-Base interactions energy: -226.619
where: short stacking energy: -84.512
Base-Backbone interact. energy: -1.030
local terms energy: -115.683207
where:
bonds (distance) C4'-P energy: -21.932
bonds (distance) P-C4' energy: -23.920
flat angles C4'-P-C4' energy: -24.239
flat angles P-C4'-P energy: -17.063
tors. eta vs tors. theta energy: -28.531
Dist. restrs. and SS energy: -48.600 (S_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: 290
Temperature: 1.100000
Total energy: -295.012578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.012578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.012578 (E_RNA)
where:
Base-Base interactions energy: -158.475
where: short stacking energy: -76.135
Base-Backbone interact. energy: -0.211
local terms energy: -100.326056
where:
bonds (distance) C4'-P energy: -18.459
bonds (distance) P-C4' energy: -23.837
flat angles C4'-P-C4' energy: -25.363
flat angles P-C4'-P energy: -13.472
tors. eta vs tors. theta energy: -19.196
Dist. restrs. and SS energy: -36.000 (S_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: 290
Temperature: 1.150000
Total energy: -291.171338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.171338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.171338 (E_RNA)
where:
Base-Base interactions energy: -176.059
where: short stacking energy: -66.498
Base-Backbone interact. energy: -0.626
local terms energy: -78.485574
where:
bonds (distance) C4'-P energy: -17.936
bonds (distance) P-C4' energy: -21.456
flat angles C4'-P-C4' energy: -21.170
flat angles P-C4'-P energy: -6.140
tors. eta vs tors. theta energy: -11.783
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -285.868963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.868963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.868963 (E_RNA)
where:
Base-Base interactions energy: -170.544
where: short stacking energy: -74.824
Base-Backbone interact. energy: -0.623
local terms energy: -78.701923
where:
bonds (distance) C4'-P energy: -15.198
bonds (distance) P-C4' energy: -18.762
flat angles C4'-P-C4' energy: -21.414
flat angles P-C4'-P energy: -12.361
tors. eta vs tors. theta energy: -10.967
Dist. restrs. and SS energy: -36.000 (S_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: 290
Temperature: 1.250000
Total energy: -282.405165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.405165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.405165 (E_RNA)
where:
Base-Base interactions energy: -166.331
where: short stacking energy: -76.074
Base-Backbone interact. energy: -0.104
local terms energy: -79.970350
where:
bonds (distance) C4'-P energy: -14.033
bonds (distance) P-C4' energy: -13.349
flat angles C4'-P-C4' energy: -18.954
flat angles P-C4'-P energy: -15.102
tors. eta vs tors. theta energy: -18.532
Dist. restrs. and SS energy: -36.000 (S_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: 290
Temperature: 1.300000
Total energy: -274.881589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.881589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.881589 (E_RNA)
where:
Base-Base interactions energy: -148.100
where: short stacking energy: -60.495
Base-Backbone interact. energy: -0.433
local terms energy: -90.349161
where:
bonds (distance) C4'-P energy: -20.960
bonds (distance) P-C4' energy: -17.040
flat angles C4'-P-C4' energy: -19.471
flat angles P-C4'-P energy: -15.604
tors. eta vs tors. theta energy: -17.274
Dist. restrs. and SS energy: -36.000 (S_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: 290
Temperature: 1.350000
Total energy: -307.431164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.431164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.031164 (E_RNA)
where:
Base-Base interactions energy: -171.650
where: short stacking energy: -77.731
Base-Backbone interact. energy: 2.311
local terms energy: -96.691384
where:
bonds (distance) C4'-P energy: -19.017
bonds (distance) P-C4' energy: -23.928
flat angles C4'-P-C4' energy: -21.672
flat angles P-C4'-P energy: -12.604
tors. eta vs tors. theta energy: -19.470
Dist. restrs. and SS energy: -41.400 (S_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: 291
Temperature: 0.900000
Total energy: -404.513881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.513881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.113881 (E_RNA)
where:
Base-Base interactions energy: -248.211
where: short stacking energy: -98.038
Base-Backbone interact. energy: -1.082
local terms energy: -104.821132
where:
bonds (distance) C4'-P energy: -20.434
bonds (distance) P-C4' energy: -23.871
flat angles C4'-P-C4' energy: -17.858
flat angles P-C4'-P energy: -12.912
tors. eta vs tors. theta energy: -29.746
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -410.667638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.667638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.267638 (E_RNA)
where:
Base-Base interactions energy: -252.872
where: short stacking energy: -95.457
Base-Backbone interact. energy: -0.552
local terms energy: -106.843508
where:
bonds (distance) C4'-P energy: -22.664
bonds (distance) P-C4' energy: -21.126
flat angles C4'-P-C4' energy: -19.879
flat angles P-C4'-P energy: -15.943
tors. eta vs tors. theta energy: -27.230
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -407.419991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.419991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.019991 (E_RNA)
where:
Base-Base interactions energy: -242.692
where: short stacking energy: -91.472
Base-Backbone interact. energy: -4.232
local terms energy: -110.096060
where:
bonds (distance) C4'-P energy: -20.616
bonds (distance) P-C4' energy: -22.516
flat angles C4'-P-C4' energy: -20.937
flat angles P-C4'-P energy: -18.677
tors. eta vs tors. theta energy: -27.349
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -395.056199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.056199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.456199 (E_RNA)
where:
Base-Base interactions energy: -245.581
where: short stacking energy: -95.459
Base-Backbone interact. energy: -0.320
local terms energy: -100.555986
where:
bonds (distance) C4'-P energy: -22.294
bonds (distance) P-C4' energy: -20.256
flat angles C4'-P-C4' energy: -20.896
flat angles P-C4'-P energy: -10.966
tors. eta vs tors. theta energy: -26.145
Dist. restrs. and SS energy: -48.600 (S_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: 291
Temperature: 1.100000
Total energy: -301.977144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.977144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.977144 (E_RNA)
where:
Base-Base interactions energy: -168.616
where: short stacking energy: -79.016
Base-Backbone interact. energy: -0.076
local terms energy: -97.285230
where:
bonds (distance) C4'-P energy: -16.825
bonds (distance) P-C4' energy: -19.882
flat angles C4'-P-C4' energy: -21.345
flat angles P-C4'-P energy: -15.637
tors. eta vs tors. theta energy: -23.595
Dist. restrs. and SS energy: -36.000 (S_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: -290.605024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.605024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.405024 (E_RNA)
where:
Base-Base interactions energy: -151.249
where: short stacking energy: -71.166
Base-Backbone interact. energy: 0.375
local terms energy: -105.530880
where:
bonds (distance) C4'-P energy: -24.847
bonds (distance) P-C4' energy: -23.764
flat angles C4'-P-C4' energy: -23.441
flat angles P-C4'-P energy: -18.068
tors. eta vs tors. theta energy: -15.411
Dist. restrs. and SS energy: -34.200 (S_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: -283.960368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.960368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.960368 (E_RNA)
where:
Base-Base interactions energy: -167.367
where: short stacking energy: -76.767
Base-Backbone interact. energy: 2.191
local terms energy: -82.784224
where:
bonds (distance) C4'-P energy: -17.995
bonds (distance) P-C4' energy: -19.228
flat angles C4'-P-C4' energy: -18.694
flat angles P-C4'-P energy: -15.512
tors. eta vs tors. theta energy: -11.354
Dist. restrs. and SS energy: -36.000 (S_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: 291
Temperature: 1.250000
Total energy: -255.120145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.120145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.120145 (E_RNA)
where:
Base-Base interactions energy: -131.298
where: short stacking energy: -58.829
Base-Backbone interact. energy: -0.249
local terms energy: -87.573780
where:
bonds (distance) C4'-P energy: -20.214
bonds (distance) P-C4' energy: -23.827
flat angles C4'-P-C4' energy: -20.109
flat angles P-C4'-P energy: -13.240
tors. eta vs tors. theta energy: -10.183
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -268.404003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.404003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.404003 (E_RNA)
where:
Base-Base interactions energy: -151.826
where: short stacking energy: -67.828
Base-Backbone interact. energy: -0.122
local terms energy: -80.456613
where:
bonds (distance) C4'-P energy: -19.938
bonds (distance) P-C4' energy: -21.639
flat angles C4'-P-C4' energy: -17.759
flat angles P-C4'-P energy: -3.988
tors. eta vs tors. theta energy: -17.133
Dist. restrs. and SS energy: -36.000 (S_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: 291
Temperature: 1.350000
Total energy: -257.701889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.701889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.701889 (E_RNA)
where:
Base-Base interactions energy: -140.614
where: short stacking energy: -61.546
Base-Backbone interact. energy: -1.054
local terms energy: -80.034041
where:
bonds (distance) C4'-P energy: -17.709
bonds (distance) P-C4' energy: -20.041
flat angles C4'-P-C4' energy: -17.511
flat angles P-C4'-P energy: -13.085
tors. eta vs tors. theta energy: -11.688
Dist. restrs. and SS energy: -36.000 (S_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: 292
Temperature: 0.900000
Total energy: -413.837911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.837911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.437911 (E_RNA)
where:
Base-Base interactions energy: -250.027
where: short stacking energy: -94.618
Base-Backbone interact. energy: -0.630
local terms energy: -112.781760
where:
bonds (distance) C4'-P energy: -16.371
bonds (distance) P-C4' energy: -26.142
flat angles C4'-P-C4' energy: -23.448
flat angles P-C4'-P energy: -18.353
tors. eta vs tors. theta energy: -28.467
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -397.054676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.054676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.454676 (E_RNA)
where:
Base-Base interactions energy: -230.637
where: short stacking energy: -89.943
Base-Backbone interact. energy: -1.604
local terms energy: -116.213074
where:
bonds (distance) C4'-P energy: -24.019
bonds (distance) P-C4' energy: -24.756
flat angles C4'-P-C4' energy: -21.578
flat angles P-C4'-P energy: -17.801
tors. eta vs tors. theta energy: -28.058
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -412.052258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.052258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.652258 (E_RNA)
where:
Base-Base interactions energy: -245.175
where: short stacking energy: -95.081
Base-Backbone interact. energy: -1.178
local terms energy: -115.299083
where:
bonds (distance) C4'-P energy: -22.398
bonds (distance) P-C4' energy: -23.816
flat angles C4'-P-C4' energy: -24.287
flat angles P-C4'-P energy: -14.948
tors. eta vs tors. theta energy: -29.850
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -394.324913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.324913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.924913 (E_RNA)
where:
Base-Base interactions energy: -232.391
where: short stacking energy: -96.890
Base-Backbone interact. energy: -0.018
local terms energy: -111.515048
where:
bonds (distance) C4'-P energy: -17.337
bonds (distance) P-C4' energy: -21.611
flat angles C4'-P-C4' energy: -23.446
flat angles P-C4'-P energy: -19.271
tors. eta vs tors. theta energy: -29.851
Dist. restrs. and SS energy: -50.400 (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: 292
Temperature: 1.100000
Total energy: -310.589944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.589944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.589944 (E_RNA)
where:
Base-Base interactions energy: -170.700
where: short stacking energy: -83.642
Base-Backbone interact. energy: -0.048
local terms energy: -103.842283
where:
bonds (distance) C4'-P energy: -23.552
bonds (distance) P-C4' energy: -18.419
flat angles C4'-P-C4' energy: -25.100
flat angles P-C4'-P energy: -16.689
tors. eta vs tors. theta energy: -20.082
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -285.590424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.590424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.590424 (E_RNA)
where:
Base-Base interactions energy: -156.498
where: short stacking energy: -67.996
Base-Backbone interact. energy: -0.173
local terms energy: -92.919878
where:
bonds (distance) C4'-P energy: -17.195
bonds (distance) P-C4' energy: -26.164
flat angles C4'-P-C4' energy: -19.365
flat angles P-C4'-P energy: -15.273
tors. eta vs tors. theta energy: -14.922
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -263.716444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.716444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.716444 (E_RNA)
where:
Base-Base interactions energy: -153.407
where: short stacking energy: -79.720
Base-Backbone interact. energy: -0.189
local terms energy: -74.120640
where:
bonds (distance) C4'-P energy: -18.417
bonds (distance) P-C4' energy: -18.037
flat angles C4'-P-C4' energy: -13.605
flat angles P-C4'-P energy: -6.822
tors. eta vs tors. theta energy: -17.239
Dist. restrs. and SS energy: -36.000 (S_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: -265.962558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.962558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.762558 (E_RNA)
where:
Base-Base interactions energy: -143.891
where: short stacking energy: -68.006
Base-Backbone interact. energy: -0.700
local terms energy: -87.171095
where:
bonds (distance) C4'-P energy: -19.907
bonds (distance) P-C4' energy: -19.425
flat angles C4'-P-C4' energy: -20.932
flat angles P-C4'-P energy: -15.636
tors. eta vs tors. theta energy: -11.271
Dist. restrs. and SS energy: -34.200 (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: 3
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -255.131405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.131405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.931405 (E_RNA)
where:
Base-Base interactions energy: -133.871
where: short stacking energy: -57.852
Base-Backbone interact. energy: -0.119
local terms energy: -86.940907
where:
bonds (distance) C4'-P energy: -19.715
bonds (distance) P-C4' energy: -17.903
flat angles C4'-P-C4' energy: -18.504
flat angles P-C4'-P energy: -17.665
tors. eta vs tors. theta energy: -13.154
Dist. restrs. and SS energy: -34.200 (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: 9
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -249.884916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.884916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.884916 (E_RNA)
where:
Base-Base interactions energy: -137.509
where: short stacking energy: -59.626
Base-Backbone interact. energy: -0.298
local terms energy: -76.077438
where:
bonds (distance) C4'-P energy: -11.699
bonds (distance) P-C4' energy: -25.004
flat angles C4'-P-C4' energy: -17.017
flat angles P-C4'-P energy: -11.688
tors. eta vs tors. theta energy: -10.670
Dist. restrs. and SS energy: -36.000 (S_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: 293
Temperature: 0.900000
Total energy: -407.045731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.045731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.645731 (E_RNA)
where:
Base-Base interactions energy: -246.253
where: short stacking energy: -90.782
Base-Backbone interact. energy: -0.536
local terms energy: -109.857368
where:
bonds (distance) C4'-P energy: -18.107
bonds (distance) P-C4' energy: -26.790
flat angles C4'-P-C4' energy: -18.349
flat angles P-C4'-P energy: -17.315
tors. eta vs tors. theta energy: -29.297
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -417.750306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.750306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.350306 (E_RNA)
where:
Base-Base interactions energy: -257.896
where: short stacking energy: -98.600
Base-Backbone interact. energy: -1.684
local terms energy: -107.770713
where:
bonds (distance) C4'-P energy: -20.711
bonds (distance) P-C4' energy: -20.173
flat angles C4'-P-C4' energy: -23.129
flat angles P-C4'-P energy: -16.379
tors. eta vs tors. theta energy: -27.379
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -393.990458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.990458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.590458 (E_RNA)
where:
Base-Base interactions energy: -235.104
where: short stacking energy: -89.225
Base-Backbone interact. energy: -0.644
local terms energy: -107.842929
where:
bonds (distance) C4'-P energy: -20.084
bonds (distance) P-C4' energy: -24.671
flat angles C4'-P-C4' energy: -23.447
flat angles P-C4'-P energy: -16.000
tors. eta vs tors. theta energy: -23.641
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -383.391864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.391864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.991864 (E_RNA)
where:
Base-Base interactions energy: -230.376
where: short stacking energy: -90.304
Base-Backbone interact. energy: -0.609
local terms energy: -102.006744
where:
bonds (distance) C4'-P energy: -18.667
bonds (distance) P-C4' energy: -23.576
flat angles C4'-P-C4' energy: -21.061
flat angles P-C4'-P energy: -15.042
tors. eta vs tors. theta energy: -23.661
Dist. restrs. and SS energy: -50.400 (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: 293
Temperature: 1.100000
Total energy: -321.309398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.309398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.309398 (E_RNA)
where:
Base-Base interactions energy: -178.837
where: short stacking energy: -96.067
Base-Backbone interact. energy: -0.025
local terms energy: -106.447569
where:
bonds (distance) C4'-P energy: -22.154
bonds (distance) P-C4' energy: -23.660
flat angles C4'-P-C4' energy: -19.824
flat angles P-C4'-P energy: -10.066
tors. eta vs tors. theta energy: -30.743
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -272.038634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.038634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.038634 (E_RNA)
where:
Base-Base interactions energy: -137.556
where: short stacking energy: -62.147
Base-Backbone interact. energy: -0.091
local terms energy: -98.391383
where:
bonds (distance) C4'-P energy: -24.852
bonds (distance) P-C4' energy: -24.300
flat angles C4'-P-C4' energy: -19.380
flat angles P-C4'-P energy: -14.782
tors. eta vs tors. theta energy: -15.078
Dist. restrs. and SS energy: -36.000 (S_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: 293
Temperature: 1.200000
Total energy: -288.910434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.910434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.910434 (E_RNA)
where:
Base-Base interactions energy: -159.521
where: short stacking energy: -67.845
Base-Backbone interact. energy: -0.914
local terms energy: -92.475051
where:
bonds (distance) C4'-P energy: -18.462
bonds (distance) P-C4' energy: -21.245
flat angles C4'-P-C4' energy: -20.315
flat angles P-C4'-P energy: -16.622
tors. eta vs tors. theta energy: -15.832
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -271.252291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.252291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.252291 (E_RNA)
where:
Base-Base interactions energy: -152.216
where: short stacking energy: -67.474
Base-Backbone interact. energy: 0.156
local terms energy: -83.192095
where:
bonds (distance) C4'-P energy: -16.591
bonds (distance) P-C4' energy: -18.449
flat angles C4'-P-C4' energy: -19.543
flat angles P-C4'-P energy: -14.903
tors. eta vs tors. theta energy: -13.706
Dist. restrs. and SS energy: -36.000 (S_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: 293
Temperature: 1.300000
Total energy: -268.293992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.293992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.293992 (E_RNA)
where:
Base-Base interactions energy: -139.315
where: short stacking energy: -64.886
Base-Backbone interact. energy: -0.353
local terms energy: -92.625412
where:
bonds (distance) C4'-P energy: -17.866
bonds (distance) P-C4' energy: -23.198
flat angles C4'-P-C4' energy: -23.505
flat angles P-C4'-P energy: -14.077
tors. eta vs tors. theta energy: -13.979
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -253.254424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.254424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.254424 (E_RNA)
where:
Base-Base interactions energy: -134.789
where: short stacking energy: -62.065
Base-Backbone interact. energy: -0.151
local terms energy: -82.314752
where:
bonds (distance) C4'-P energy: -16.556
bonds (distance) P-C4' energy: -23.711
flat angles C4'-P-C4' energy: -16.236
flat angles P-C4'-P energy: -11.375
tors. eta vs tors. theta energy: -14.437
Dist. restrs. and SS energy: -36.000 (S_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: 294
Temperature: 0.900000
Total energy: -418.210514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.210514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.810514 (E_RNA)
where:
Base-Base interactions energy: -253.990
where: short stacking energy: -100.623
Base-Backbone interact. energy: -1.096
local terms energy: -112.724231
where:
bonds (distance) C4'-P energy: -18.687
bonds (distance) P-C4' energy: -25.082
flat angles C4'-P-C4' energy: -21.029
flat angles P-C4'-P energy: -16.896
tors. eta vs tors. theta energy: -31.030
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -405.241180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.241180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.841180 (E_RNA)
where:
Base-Base interactions energy: -249.009
where: short stacking energy: -97.215
Base-Backbone interact. energy: -2.348
local terms energy: -103.484153
where:
bonds (distance) C4'-P energy: -13.776
bonds (distance) P-C4' energy: -20.739
flat angles C4'-P-C4' energy: -24.305
flat angles P-C4'-P energy: -19.336
tors. eta vs tors. theta energy: -25.328
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -400.398043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.398043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.798043 (E_RNA)
where:
Base-Base interactions energy: -232.870
where: short stacking energy: -93.227
Base-Backbone interact. energy: -1.204
local terms energy: -117.723897
where:
bonds (distance) C4'-P energy: -26.176
bonds (distance) P-C4' energy: -23.145
flat angles C4'-P-C4' energy: -25.038
flat angles P-C4'-P energy: -18.888
tors. eta vs tors. theta energy: -24.477
Dist. restrs. and SS energy: -48.600 (S_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: -394.955331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.955331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.555331 (E_RNA)
where:
Base-Base interactions energy: -245.227
where: short stacking energy: -93.853
Base-Backbone interact. energy: -0.895
local terms energy: -98.432828
where:
bonds (distance) C4'-P energy: -22.476
bonds (distance) P-C4' energy: -12.922
flat angles C4'-P-C4' energy: -25.261
flat angles P-C4'-P energy: -14.053
tors. eta vs tors. theta energy: -23.721
Dist. restrs. and SS energy: -50.400 (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: 294
Temperature: 1.100000
Total energy: -321.242929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.242929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.242929 (E_RNA)
where:
Base-Base interactions energy: -180.363
where: short stacking energy: -80.884
Base-Backbone interact. energy: -0.457
local terms energy: -104.423189
where:
bonds (distance) C4'-P energy: -25.957
bonds (distance) P-C4' energy: -23.526
flat angles C4'-P-C4' energy: -18.725
flat angles P-C4'-P energy: -14.842
tors. eta vs tors. theta energy: -21.374
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -292.021912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.021912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.621912 (E_RNA)
where:
Base-Base interactions energy: -161.391
where: short stacking energy: -77.047
Base-Backbone interact. energy: 0.347
local terms energy: -98.577588
where:
bonds (distance) C4'-P energy: -23.655
bonds (distance) P-C4' energy: -20.071
flat angles C4'-P-C4' energy: -21.789
flat angles P-C4'-P energy: -13.595
tors. eta vs tors. theta energy: -19.469
Dist. restrs. and SS energy: -32.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -294.430015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.430015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.230015 (E_RNA)
where:
Base-Base interactions energy: -160.333
where: short stacking energy: -75.666
Base-Backbone interact. energy: -0.520
local terms energy: -99.376752
where:
bonds (distance) C4'-P energy: -20.135
bonds (distance) P-C4' energy: -21.962
flat angles C4'-P-C4' energy: -22.847
flat angles P-C4'-P energy: -10.729
tors. eta vs tors. theta energy: -23.704
Dist. restrs. and SS energy: -34.200 (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: 6
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -255.847816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.847816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.847816 (E_RNA)
where:
Base-Base interactions energy: -126.305
where: short stacking energy: -56.813
Base-Backbone interact. energy: -0.960
local terms energy: -92.583196
where:
bonds (distance) C4'-P energy: -24.637
bonds (distance) P-C4' energy: -23.779
flat angles C4'-P-C4' energy: -22.343
flat angles P-C4'-P energy: -9.892
tors. eta vs tors. theta energy: -11.932
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -262.465918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.465918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.465918 (E_RNA)
where:
Base-Base interactions energy: -131.538
where: short stacking energy: -62.005
Base-Backbone interact. energy: -0.665
local terms energy: -94.263546
where:
bonds (distance) C4'-P energy: -22.864
bonds (distance) P-C4' energy: -24.222
flat angles C4'-P-C4' energy: -23.808
flat angles P-C4'-P energy: -18.241
tors. eta vs tors. theta energy: -5.129
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -256.648811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.648811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.448811 (E_RNA)
where:
Base-Base interactions energy: -131.343
where: short stacking energy: -65.151
Base-Backbone interact. energy: -0.087
local terms energy: -91.019100
where:
bonds (distance) C4'-P energy: -20.822
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -22.017
flat angles P-C4'-P energy: -17.622
tors. eta vs tors. theta energy: -13.471
Dist. restrs. and SS energy: -34.200 (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: 295
Temperature: 0.900000
Total energy: -415.887964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.887964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.087964 (E_RNA)
where:
Base-Base interactions energy: -255.748
where: short stacking energy: -103.923
Base-Backbone interact. energy: 0.314
local terms energy: -113.654168
where:
bonds (distance) C4'-P energy: -21.754
bonds (distance) P-C4' energy: -20.393
flat angles C4'-P-C4' energy: -22.374
flat angles P-C4'-P energy: -16.957
tors. eta vs tors. theta energy: -32.176
Dist. restrs. and SS energy: -46.800 (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: 10
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -409.070064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.070064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.670064 (E_RNA)
where:
Base-Base interactions energy: -254.377
where: short stacking energy: -97.208
Base-Backbone interact. energy: -1.626
local terms energy: -102.666726
where:
bonds (distance) C4'-P energy: -21.616
bonds (distance) P-C4' energy: -18.015
flat angles C4'-P-C4' energy: -21.702
flat angles P-C4'-P energy: -16.711
tors. eta vs tors. theta energy: -24.622
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -409.100548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.100548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.300548 (E_RNA)
where:
Base-Base interactions energy: -243.534
where: short stacking energy: -91.402
Base-Backbone interact. energy: -1.414
local terms energy: -117.352184
where:
bonds (distance) C4'-P energy: -26.189
bonds (distance) P-C4' energy: -25.776
flat angles C4'-P-C4' energy: -20.700
flat angles P-C4'-P energy: -14.415
tors. eta vs tors. theta energy: -30.273
Dist. restrs. and SS energy: -46.800 (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: 8
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -384.879296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.879296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.479296 (E_RNA)
where:
Base-Base interactions energy: -233.995
where: short stacking energy: -88.284
Base-Backbone interact. energy: -0.722
local terms energy: -99.762478
where:
bonds (distance) C4'-P energy: -20.897
bonds (distance) P-C4' energy: -20.476
flat angles C4'-P-C4' energy: -24.150
flat angles P-C4'-P energy: -12.557
tors. eta vs tors. theta energy: -21.683
Dist. restrs. and SS energy: -50.400 (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: 295
Temperature: 1.100000
Total energy: -295.005204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.005204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.005204 (E_RNA)
where:
Base-Base interactions energy: -168.736
where: short stacking energy: -80.548
Base-Backbone interact. energy: -0.073
local terms energy: -90.196701
where:
bonds (distance) C4'-P energy: -11.736
bonds (distance) P-C4' energy: -17.210
flat angles C4'-P-C4' energy: -20.271
flat angles P-C4'-P energy: -18.533
tors. eta vs tors. theta energy: -22.446
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -322.559673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.559673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.559673 (E_RNA)
where:
Base-Base interactions energy: -176.980
where: short stacking energy: -79.495
Base-Backbone interact. energy: -0.270
local terms energy: -100.309860
where:
bonds (distance) C4'-P energy: -19.859
bonds (distance) P-C4' energy: -23.959
flat angles C4'-P-C4' energy: -23.268
flat angles P-C4'-P energy: -14.159
tors. eta vs tors. theta energy: -19.065
Dist. restrs. and SS energy: -45.000 (S_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: 295
Temperature: 1.200000
Total energy: -337.029343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.029343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.629343 (E_RNA)
where:
Base-Base interactions energy: -195.317
where: short stacking energy: -84.120
Base-Backbone interact. energy: 0.380
local terms energy: -91.692387
where:
bonds (distance) C4'-P energy: -22.691
bonds (distance) P-C4' energy: -20.290
flat angles C4'-P-C4' energy: -20.592
flat angles P-C4'-P energy: -9.403
tors. eta vs tors. theta energy: -18.716
Dist. restrs. and SS energy: -50.400 (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: 295
Temperature: 1.250000
Total energy: -268.552159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.552159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.552159 (E_RNA)
where:
Base-Base interactions energy: -145.154
where: short stacking energy: -64.012
Base-Backbone interact. energy: -0.622
local terms energy: -86.775547
where:
bonds (distance) C4'-P energy: -17.816
bonds (distance) P-C4' energy: -17.314
flat angles C4'-P-C4' energy: -20.234
flat angles P-C4'-P energy: -15.436
tors. eta vs tors. theta energy: -15.977
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -274.255529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.255529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.255529 (E_RNA)
where:
Base-Base interactions energy: -141.309
where: short stacking energy: -63.430
Base-Backbone interact. energy: -0.443
local terms energy: -96.503468
where:
bonds (distance) C4'-P energy: -21.034
bonds (distance) P-C4' energy: -21.161
flat angles C4'-P-C4' energy: -18.741
flat angles P-C4'-P energy: -17.119
tors. eta vs tors. theta energy: -18.449
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -241.722934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.722934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.722934 (E_RNA)
where:
Base-Base interactions energy: -110.085
where: short stacking energy: -52.023
Base-Backbone interact. energy: -1.159
local terms energy: -94.478798
where:
bonds (distance) C4'-P energy: -20.062
bonds (distance) P-C4' energy: -22.890
flat angles C4'-P-C4' energy: -17.527
flat angles P-C4'-P energy: -21.221
tors. eta vs tors. theta energy: -12.779
Dist. restrs. and SS energy: -36.000 (S_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: 296
Temperature: 0.900000
Total energy: -415.741615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.741615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.341615 (E_RNA)
where:
Base-Base interactions energy: -249.770
where: short stacking energy: -98.383
Base-Backbone interact. energy: -0.938
local terms energy: -114.633032
where:
bonds (distance) C4'-P energy: -24.658
bonds (distance) P-C4' energy: -18.686
flat angles C4'-P-C4' energy: -24.576
flat angles P-C4'-P energy: -18.408
tors. eta vs tors. theta energy: -28.305
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -414.919399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.919399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.519399 (E_RNA)
where:
Base-Base interactions energy: -256.034
where: short stacking energy: -99.257
Base-Backbone interact. energy: -0.125
local terms energy: -108.360838
where:
bonds (distance) C4'-P energy: -20.920
bonds (distance) P-C4' energy: -14.409
flat angles C4'-P-C4' energy: -25.673
flat angles P-C4'-P energy: -18.036
tors. eta vs tors. theta energy: -29.322
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -399.173659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.173659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.773659 (E_RNA)
where:
Base-Base interactions energy: -243.203
where: short stacking energy: -97.773
Base-Backbone interact. energy: -0.611
local terms energy: -104.960075
where:
bonds (distance) C4'-P energy: -20.484
bonds (distance) P-C4' energy: -24.656
flat angles C4'-P-C4' energy: -19.809
flat angles P-C4'-P energy: -13.777
tors. eta vs tors. theta energy: -26.234
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -392.676478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.676478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.276478 (E_RNA)
where:
Base-Base interactions energy: -237.351
where: short stacking energy: -97.050
Base-Backbone interact. energy: -1.331
local terms energy: -103.594296
where:
bonds (distance) C4'-P energy: -20.021
bonds (distance) P-C4' energy: -23.155
flat angles C4'-P-C4' energy: -19.037
flat angles P-C4'-P energy: -16.899
tors. eta vs tors. theta energy: -24.482
Dist. restrs. and SS energy: -50.400 (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: 4
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -325.166368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.166368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.966368 (E_RNA)
where:
Base-Base interactions energy: -194.148
where: short stacking energy: -65.528
Base-Backbone interact. energy: -0.321
local terms energy: -87.497796
where:
bonds (distance) C4'-P energy: -24.710
bonds (distance) P-C4' energy: -25.533
flat angles C4'-P-C4' energy: -13.405
flat angles P-C4'-P energy: -8.298
tors. eta vs tors. theta energy: -15.551
Dist. restrs. and SS energy: -43.200 (S_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: 296
Temperature: 1.150000
Total energy: -301.277546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.277546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.077546 (E_RNA)
where:
Base-Base interactions energy: -173.362
where: short stacking energy: -80.463
Base-Backbone interact. energy: -0.926
local terms energy: -92.788956
where:
bonds (distance) C4'-P energy: -20.909
bonds (distance) P-C4' energy: -21.940
flat angles C4'-P-C4' energy: -20.602
flat angles P-C4'-P energy: -14.098
tors. eta vs tors. theta energy: -15.238
Dist. restrs. and SS energy: -34.200 (S_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: 296
Temperature: 1.200000
Total energy: -335.925941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.925941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.525941 (E_RNA)
where:
Base-Base interactions energy: -198.283
where: short stacking energy: -85.239
Base-Backbone interact. energy: -0.835
local terms energy: -86.407601
where:
bonds (distance) C4'-P energy: -21.065
bonds (distance) P-C4' energy: -17.015
flat angles C4'-P-C4' energy: -12.648
flat angles P-C4'-P energy: -14.556
tors. eta vs tors. theta energy: -21.123
Dist. restrs. and SS energy: -50.400 (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: 296
Temperature: 1.250000
Total energy: -282.033351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.033351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.033351 (E_RNA)
where:
Base-Base interactions energy: -157.544
where: short stacking energy: -55.884
Base-Backbone interact. energy: -0.764
local terms energy: -87.725887
where:
bonds (distance) C4'-P energy: -19.863
bonds (distance) P-C4' energy: -21.727
flat angles C4'-P-C4' energy: -19.819
flat angles P-C4'-P energy: -14.711
tors. eta vs tors. theta energy: -11.607
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -235.774445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.774445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.774445 (E_RNA)
where:
Base-Base interactions energy: -128.515
where: short stacking energy: -55.174
Base-Backbone interact. energy: -0.310
local terms energy: -70.949904
where:
bonds (distance) C4'-P energy: -18.559
bonds (distance) P-C4' energy: -18.407
flat angles C4'-P-C4' energy: -17.695
flat angles P-C4'-P energy: -11.720
tors. eta vs tors. theta energy: -4.568
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -249.091739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.091739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.891739 (E_RNA)
where:
Base-Base interactions energy: -140.337
where: short stacking energy: -63.977
Base-Backbone interact. energy: 0.377
local terms energy: -74.931769
where:
bonds (distance) C4'-P energy: -24.798
bonds (distance) P-C4' energy: -24.011
flat angles C4'-P-C4' energy: -7.411
flat angles P-C4'-P energy: -6.613
tors. eta vs tors. theta energy: -12.098
Dist. restrs. and SS energy: -34.200 (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: 10
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -417.108448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.108448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.708448 (E_RNA)
where:
Base-Base interactions energy: -253.503
where: short stacking energy: -98.069
Base-Backbone interact. energy: -2.206
local terms energy: -110.998823
where:
bonds (distance) C4'-P energy: -17.358
bonds (distance) P-C4' energy: -23.791
flat angles C4'-P-C4' energy: -25.727
flat angles P-C4'-P energy: -16.185
tors. eta vs tors. theta energy: -27.938
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -411.363546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.363546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.963546 (E_RNA)
where:
Base-Base interactions energy: -252.521
where: short stacking energy: -98.703
Base-Backbone interact. energy: -0.192
local terms energy: -108.249791
where:
bonds (distance) C4'-P energy: -18.698
bonds (distance) P-C4' energy: -22.277
flat angles C4'-P-C4' energy: -22.398
flat angles P-C4'-P energy: -17.419
tors. eta vs tors. theta energy: -27.458
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -401.786927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.786927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.386927 (E_RNA)
where:
Base-Base interactions energy: -243.130
where: short stacking energy: -99.815
Base-Backbone interact. energy: 0.966
local terms energy: -109.222419
where:
bonds (distance) C4'-P energy: -26.639
bonds (distance) P-C4' energy: -18.176
flat angles C4'-P-C4' energy: -21.163
flat angles P-C4'-P energy: -15.507
tors. eta vs tors. theta energy: -27.737
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -395.197301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.197301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.797301 (E_RNA)
where:
Base-Base interactions energy: -242.371
where: short stacking energy: -84.598
Base-Backbone interact. energy: 1.784
local terms energy: -104.210646
where:
bonds (distance) C4'-P energy: -17.255
bonds (distance) P-C4' energy: -21.782
flat angles C4'-P-C4' energy: -19.921
flat angles P-C4'-P energy: -15.279
tors. eta vs tors. theta energy: -29.975
Dist. restrs. and SS energy: -50.400 (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: 4
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -329.299272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.299272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.899272 (E_RNA)
where:
Base-Base interactions energy: -196.093
where: short stacking energy: -88.873
Base-Backbone interact. energy: -0.714
local terms energy: -91.092185
where:
bonds (distance) C4'-P energy: -14.565
bonds (distance) P-C4' energy: -17.140
flat angles C4'-P-C4' energy: -21.150
flat angles P-C4'-P energy: -12.962
tors. eta vs tors. theta energy: -25.275
Dist. restrs. and SS energy: -41.400 (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: 7
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -332.765119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.765119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.365119 (E_RNA)
where:
Base-Base interactions energy: -180.832
where: short stacking energy: -73.943
Base-Backbone interact. energy: -0.036
local terms energy: -101.497464
where:
bonds (distance) C4'-P energy: -17.401
bonds (distance) P-C4' energy: -22.129
flat angles C4'-P-C4' energy: -25.383
flat angles P-C4'-P energy: -16.142
tors. eta vs tors. theta energy: -20.444
Dist. restrs. and SS energy: -50.400 (S_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: 297
Temperature: 1.200000
Total energy: -284.501058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.501058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.501058 (E_RNA)
where:
Base-Base interactions energy: -153.273
where: short stacking energy: -69.949
Base-Backbone interact. energy: -1.174
local terms energy: -94.054286
where:
bonds (distance) C4'-P energy: -17.851
bonds (distance) P-C4' energy: -18.206
flat angles C4'-P-C4' energy: -21.333
flat angles P-C4'-P energy: -15.284
tors. eta vs tors. theta energy: -21.381
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -281.800685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.800685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.800685 (E_RNA)
where:
Base-Base interactions energy: -164.491
where: short stacking energy: -67.841
Base-Backbone interact. energy: -0.154
local terms energy: -81.155184
where:
bonds (distance) C4'-P energy: -17.884
bonds (distance) P-C4' energy: -20.222
flat angles C4'-P-C4' energy: -18.847
flat angles P-C4'-P energy: -8.949
tors. eta vs tors. theta energy: -15.253
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -234.041935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.041935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.841935 (E_RNA)
where:
Base-Base interactions energy: -113.655
where: short stacking energy: -46.661
Base-Backbone interact. energy: -0.116
local terms energy: -86.070966
where:
bonds (distance) C4'-P energy: -21.875
bonds (distance) P-C4' energy: -21.388
flat angles C4'-P-C4' energy: -15.858
flat angles P-C4'-P energy: -15.030
tors. eta vs tors. theta energy: -11.919
Dist. restrs. and SS energy: -34.200 (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: 6
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -250.049851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.049851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.049851 (E_RNA)
where:
Base-Base interactions energy: -142.899
where: short stacking energy: -62.163
Base-Backbone interact. energy: -0.177
local terms energy: -70.974024
where:
bonds (distance) C4'-P energy: -17.705
bonds (distance) P-C4' energy: -14.582
flat angles C4'-P-C4' energy: -8.935
flat angles P-C4'-P energy: -15.147
tors. eta vs tors. theta energy: -14.606
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -418.006759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.006759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.606759 (E_RNA)
where:
Base-Base interactions energy: -251.868
where: short stacking energy: -101.520
Base-Backbone interact. energy: -1.253
local terms energy: -114.485678
where:
bonds (distance) C4'-P energy: -22.543
bonds (distance) P-C4' energy: -25.295
flat angles C4'-P-C4' energy: -22.973
flat angles P-C4'-P energy: -18.937
tors. eta vs tors. theta energy: -24.738
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -415.048146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.048146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.448146 (E_RNA)
where:
Base-Base interactions energy: -252.986
where: short stacking energy: -103.760
Base-Backbone interact. energy: -1.091
local terms energy: -112.370776
where:
bonds (distance) C4'-P energy: -24.449
bonds (distance) P-C4' energy: -23.024
flat angles C4'-P-C4' energy: -20.431
flat angles P-C4'-P energy: -17.115
tors. eta vs tors. theta energy: -27.353
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -400.151393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.151393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.351393 (E_RNA)
where:
Base-Base interactions energy: -247.684
where: short stacking energy: -97.416
Base-Backbone interact. energy: -0.655
local terms energy: -105.013222
where:
bonds (distance) C4'-P energy: -18.720
bonds (distance) P-C4' energy: -20.888
flat angles C4'-P-C4' energy: -15.794
flat angles P-C4'-P energy: -20.318
tors. eta vs tors. theta energy: -29.293
Dist. restrs. and SS energy: -46.800 (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: 8
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -386.729462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.729462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.129462 (E_RNA)
where:
Base-Base interactions energy: -227.916
where: short stacking energy: -90.310
Base-Backbone interact. energy: -1.000
local terms energy: -109.213031
where:
bonds (distance) C4'-P energy: -21.507
bonds (distance) P-C4' energy: -25.891
flat angles C4'-P-C4' energy: -22.870
flat angles P-C4'-P energy: -14.406
tors. eta vs tors. theta energy: -24.539
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -352.642006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.642006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.242006 (E_RNA)
where:
Base-Base interactions energy: -210.845
where: short stacking energy: -82.527
Base-Backbone interact. energy: 0.770
local terms energy: -92.166560
where:
bonds (distance) C4'-P energy: -24.098
bonds (distance) P-C4' energy: -22.661
flat angles C4'-P-C4' energy: -15.595
flat angles P-C4'-P energy: -10.564
tors. eta vs tors. theta energy: -19.248
Dist. restrs. and SS energy: -50.400 (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: 4
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -328.602330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.602330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.802330 (E_RNA)
where:
Base-Base interactions energy: -190.586
where: short stacking energy: -74.318
Base-Backbone interact. energy: -0.944
local terms energy: -90.272890
where:
bonds (distance) C4'-P energy: -23.700
bonds (distance) P-C4' energy: -24.041
flat angles C4'-P-C4' energy: -16.510
flat angles P-C4'-P energy: -12.268
tors. eta vs tors. theta energy: -13.753
Dist. restrs. and SS energy: -46.800 (S_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: 298
Temperature: 1.200000
Total energy: -299.004573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.004573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.004573 (E_RNA)
where:
Base-Base interactions energy: -165.720
where: short stacking energy: -80.283
Base-Backbone interact. energy: -0.095
local terms energy: -97.190018
where:
bonds (distance) C4'-P energy: -14.892
bonds (distance) P-C4' energy: -22.257
flat angles C4'-P-C4' energy: -19.545
flat angles P-C4'-P energy: -16.896
tors. eta vs tors. theta energy: -23.600
Dist. restrs. and SS energy: -36.000 (S_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: 298
Temperature: 1.250000
Total energy: -279.561047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.561047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.561047 (E_RNA)
where:
Base-Base interactions energy: -158.269
where: short stacking energy: -72.133
Base-Backbone interact. energy: -0.154
local terms energy: -85.137546
where:
bonds (distance) C4'-P energy: -19.759
bonds (distance) P-C4' energy: -18.157
flat angles C4'-P-C4' energy: -18.226
flat angles P-C4'-P energy: -11.743
tors. eta vs tors. theta energy: -17.252
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -260.868723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.868723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.868723 (E_RNA)
where:
Base-Base interactions energy: -158.967
where: short stacking energy: -72.109
Base-Backbone interact. energy: 2.262
local terms energy: -68.162969
where:
bonds (distance) C4'-P energy: -16.409
bonds (distance) P-C4' energy: -17.358
flat angles C4'-P-C4' energy: -16.294
flat angles P-C4'-P energy: -8.479
tors. eta vs tors. theta energy: -9.623
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -232.954953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.954953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.754953 (E_RNA)
where:
Base-Base interactions energy: -126.431
where: short stacking energy: -57.943
Base-Backbone interact. energy: -0.420
local terms energy: -71.903478
where:
bonds (distance) C4'-P energy: -13.782
bonds (distance) P-C4' energy: -20.186
flat angles C4'-P-C4' energy: -15.528
flat angles P-C4'-P energy: -14.519
tors. eta vs tors. theta energy: -7.888
Dist. restrs. and SS energy: -34.200 (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: 5
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -420.118440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.118440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.718440 (E_RNA)
where:
Base-Base interactions energy: -255.780
where: short stacking energy: -98.065
Base-Backbone interact. energy: -0.343
local terms energy: -113.595860
where:
bonds (distance) C4'-P energy: -22.744
bonds (distance) P-C4' energy: -25.411
flat angles C4'-P-C4' energy: -22.636
flat angles P-C4'-P energy: -14.811
tors. eta vs tors. theta energy: -27.994
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -413.650273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.650273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.250273 (E_RNA)
where:
Base-Base interactions energy: -255.158
where: short stacking energy: -98.751
Base-Backbone interact. energy: -2.325
local terms energy: -105.767246
where:
bonds (distance) C4'-P energy: -18.380
bonds (distance) P-C4' energy: -22.422
flat angles C4'-P-C4' energy: -21.498
flat angles P-C4'-P energy: -14.458
tors. eta vs tors. theta energy: -29.009
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -401.500699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.500699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.100699 (E_RNA)
where:
Base-Base interactions energy: -242.671
where: short stacking energy: -94.401
Base-Backbone interact. energy: -1.273
local terms energy: -107.156817
where:
bonds (distance) C4'-P energy: -18.601
bonds (distance) P-C4' energy: -24.610
flat angles C4'-P-C4' energy: -19.260
flat angles P-C4'-P energy: -14.132
tors. eta vs tors. theta energy: -30.554
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -387.972571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.972571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.572571 (E_RNA)
where:
Base-Base interactions energy: -240.282
where: short stacking energy: -91.979
Base-Backbone interact. energy: 0.214
local terms energy: -97.505045
where:
bonds (distance) C4'-P energy: -19.639
bonds (distance) P-C4' energy: -22.562
flat angles C4'-P-C4' energy: -22.460
flat angles P-C4'-P energy: -11.166
tors. eta vs tors. theta energy: -21.678
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -354.499987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.499987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.299987 (E_RNA)
where:
Base-Base interactions energy: -202.643
where: short stacking energy: -81.442
Base-Backbone interact. energy: -1.131
local terms energy: -107.526015
where:
bonds (distance) C4'-P energy: -19.891
bonds (distance) P-C4' energy: -22.660
flat angles C4'-P-C4' energy: -24.980
flat angles P-C4'-P energy: -14.635
tors. eta vs tors. theta energy: -25.359
Dist. restrs. and SS energy: -43.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -330.628456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.628456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.228456 (E_RNA)
where:
Base-Base interactions energy: -188.564
where: short stacking energy: -60.632
Base-Backbone interact. energy: -0.767
local terms energy: -90.897722
where:
bonds (distance) C4'-P energy: -17.212
bonds (distance) P-C4' energy: -23.877
flat angles C4'-P-C4' energy: -22.202
flat angles P-C4'-P energy: -15.353
tors. eta vs tors. theta energy: -12.254
Dist. restrs. and SS energy: -50.400 (S_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: 299
Temperature: 1.200000
Total energy: -295.487071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.487071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.287071 (E_RNA)
where:
Base-Base interactions energy: -151.617
where: short stacking energy: -74.975
Base-Backbone interact. energy: -0.059
local terms energy: -109.610869
where:
bonds (distance) C4'-P energy: -21.432
bonds (distance) P-C4' energy: -27.746
flat angles C4'-P-C4' energy: -25.567
flat angles P-C4'-P energy: -14.949
tors. eta vs tors. theta energy: -19.917
Dist. restrs. and SS energy: -34.200 (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: 6
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -284.546701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.546701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.346701 (E_RNA)
where:
Base-Base interactions energy: -148.307
where: short stacking energy: -61.015
Base-Backbone interact. energy: -0.683
local terms energy: -101.356417
where:
bonds (distance) C4'-P energy: -23.645
bonds (distance) P-C4' energy: -24.454
flat angles C4'-P-C4' energy: -23.589
flat angles P-C4'-P energy: -14.244
tors. eta vs tors. theta energy: -15.424
Dist. restrs. and SS energy: -34.200 (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: 2
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -268.729680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.729680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.729680 (E_RNA)
where:
Base-Base interactions energy: -144.625
where: short stacking energy: -57.417
Base-Backbone interact. energy: -0.866
local terms energy: -87.238398
where:
bonds (distance) C4'-P energy: -21.391
bonds (distance) P-C4' energy: -22.325
flat angles C4'-P-C4' energy: -19.116
flat angles P-C4'-P energy: -11.111
tors. eta vs tors. theta energy: -13.296
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -243.241633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.241633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.241633 (E_RNA)
where:
Base-Base interactions energy: -131.742
where: short stacking energy: -64.758
Base-Backbone interact. energy: -1.076
local terms energy: -74.423668
where:
bonds (distance) C4'-P energy: -18.809
bonds (distance) P-C4' energy: -18.519
flat angles C4'-P-C4' energy: -14.153
flat angles P-C4'-P energy: -9.029
tors. eta vs tors. theta energy: -13.914
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -418.969046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.969046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.569046 (E_RNA)
where:
Base-Base interactions energy: -249.312
where: short stacking energy: -95.288
Base-Backbone interact. energy: -1.260
local terms energy: -117.996478
where:
bonds (distance) C4'-P energy: -24.234
bonds (distance) P-C4' energy: -22.993
flat angles C4'-P-C4' energy: -23.249
flat angles P-C4'-P energy: -18.193
tors. eta vs tors. theta energy: -29.327
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -403.861305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.861305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.461305 (E_RNA)
where:
Base-Base interactions energy: -244.241
where: short stacking energy: -93.743
Base-Backbone interact. energy: -2.259
local terms energy: -106.961512
where:
bonds (distance) C4'-P energy: -21.482
bonds (distance) P-C4' energy: -20.190
flat angles C4'-P-C4' energy: -21.082
flat angles P-C4'-P energy: -19.579
tors. eta vs tors. theta energy: -24.628
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -411.902366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.902366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.502366 (E_RNA)
where:
Base-Base interactions energy: -255.223
where: short stacking energy: -102.760
Base-Backbone interact. energy: -1.562
local terms energy: -104.717875
where:
bonds (distance) C4'-P energy: -19.609
bonds (distance) P-C4' energy: -23.305
flat angles C4'-P-C4' energy: -17.344
flat angles P-C4'-P energy: -13.599
tors. eta vs tors. theta energy: -30.861
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -391.254765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.254765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.854765 (E_RNA)
where:
Base-Base interactions energy: -245.215
where: short stacking energy: -97.507
Base-Backbone interact. energy: 0.252
local terms energy: -95.892447
where:
bonds (distance) C4'-P energy: -18.071
bonds (distance) P-C4' energy: -15.796
flat angles C4'-P-C4' energy: -21.440
flat angles P-C4'-P energy: -16.788
tors. eta vs tors. theta energy: -23.799
Dist. restrs. and SS energy: -50.400 (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: 4
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -344.468419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.468419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.068419 (E_RNA)
where:
Base-Base interactions energy: -203.449
where: short stacking energy: -80.239
Base-Backbone interact. energy: -0.262
local terms energy: -90.357149
where:
bonds (distance) C4'-P energy: -19.424
bonds (distance) P-C4' energy: -14.937
flat angles C4'-P-C4' energy: -25.643
flat angles P-C4'-P energy: -14.205
tors. eta vs tors. theta energy: -16.148
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -350.629748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.629748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.229748 (E_RNA)
where:
Base-Base interactions energy: -204.359
where: short stacking energy: -78.634
Base-Backbone interact. energy: -0.737
local terms energy: -95.134238
where:
bonds (distance) C4'-P energy: -15.304
bonds (distance) P-C4' energy: -22.362
flat angles C4'-P-C4' energy: -26.229
flat angles P-C4'-P energy: -11.096
tors. eta vs tors. theta energy: -20.143
Dist. restrs. and SS energy: -50.400 (S_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: 300
Temperature: 1.200000
Total energy: -290.577165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.577165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.577165 (E_RNA)
where:
Base-Base interactions energy: -169.987
where: short stacking energy: -81.233
Base-Backbone interact. energy: -0.329
local terms energy: -84.261819
where:
bonds (distance) C4'-P energy: -19.418
bonds (distance) P-C4' energy: -19.160
flat angles C4'-P-C4' energy: -21.358
flat angles P-C4'-P energy: -9.989
tors. eta vs tors. theta energy: -14.337
Dist. restrs. and SS energy: -36.000 (S_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: 300
Temperature: 1.250000
Total energy: -281.837566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.837566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.837566 (E_RNA)
where:
Base-Base interactions energy: -156.486
where: short stacking energy: -79.347
Base-Backbone interact. energy: -0.009
local terms energy: -89.342398
where:
bonds (distance) C4'-P energy: -17.007
bonds (distance) P-C4' energy: -20.041
flat angles C4'-P-C4' energy: -15.681
flat angles P-C4'-P energy: -16.477
tors. eta vs tors. theta energy: -20.137
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -262.360119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.360119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.160119 (E_RNA)
where:
Base-Base interactions energy: -154.112
where: short stacking energy: -49.477
Base-Backbone interact. energy: 0.892
local terms energy: -74.940256
where:
bonds (distance) C4'-P energy: -18.468
bonds (distance) P-C4' energy: -23.810
flat angles C4'-P-C4' energy: -17.414
flat angles P-C4'-P energy: -13.652
tors. eta vs tors. theta energy: -1.597
Dist. restrs. and SS energy: -34.200 (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: 9
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -262.977204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.977204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.977204 (E_RNA)
where:
Base-Base interactions energy: -146.150
where: short stacking energy: -66.434
Base-Backbone interact. energy: -0.403
local terms energy: -80.424263
where:
bonds (distance) C4'-P energy: -12.450
bonds (distance) P-C4' energy: -23.522
flat angles C4'-P-C4' energy: -11.599
flat angles P-C4'-P energy: -14.253
tors. eta vs tors. theta energy: -18.600
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -416.168456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.168456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.768456 (E_RNA)
where:
Base-Base interactions energy: -251.477
where: short stacking energy: -93.775
Base-Backbone interact. energy: 0.826
local terms energy: -115.117461
where:
bonds (distance) C4'-P energy: -24.151
bonds (distance) P-C4' energy: -25.397
flat angles C4'-P-C4' energy: -22.278
flat angles P-C4'-P energy: -16.861
tors. eta vs tors. theta energy: -26.431
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -410.288299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.288299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.888299 (E_RNA)
where:
Base-Base interactions energy: -253.649
where: short stacking energy: -97.271
Base-Backbone interact. energy: -0.852
local terms energy: -105.387133
where:
bonds (distance) C4'-P energy: -20.754
bonds (distance) P-C4' energy: -21.720
flat angles C4'-P-C4' energy: -21.739
flat angles P-C4'-P energy: -12.008
tors. eta vs tors. theta energy: -29.167
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -405.085826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.085826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.685826 (E_RNA)
where:
Base-Base interactions energy: -237.933
where: short stacking energy: -92.307
Base-Backbone interact. energy: -2.583
local terms energy: -114.169948
where:
bonds (distance) C4'-P energy: -19.615
bonds (distance) P-C4' energy: -23.014
flat angles C4'-P-C4' energy: -20.845
flat angles P-C4'-P energy: -18.480
tors. eta vs tors. theta energy: -32.216
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -401.027004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.027004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.627004 (E_RNA)
where:
Base-Base interactions energy: -242.926
where: short stacking energy: -108.705
Base-Backbone interact. energy: -0.547
local terms energy: -107.153715
where:
bonds (distance) C4'-P energy: -24.259
bonds (distance) P-C4' energy: -22.110
flat angles C4'-P-C4' energy: -21.630
flat angles P-C4'-P energy: -9.453
tors. eta vs tors. theta energy: -29.701
Dist. restrs. and SS energy: -50.400 (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: 4
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -339.179189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.179189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.779189 (E_RNA)
where:
Base-Base interactions energy: -205.331
where: short stacking energy: -78.465
Base-Backbone interact. energy: -0.785
local terms energy: -82.663959
where:
bonds (distance) C4'-P energy: -20.968
bonds (distance) P-C4' energy: -13.137
flat angles C4'-P-C4' energy: -22.344
flat angles P-C4'-P energy: -11.737
tors. eta vs tors. theta energy: -14.479
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -348.846654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.846654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.246654 (E_RNA)
where:
Base-Base interactions energy: -194.648
where: short stacking energy: -78.216
Base-Backbone interact. energy: 0.319
local terms energy: -105.917328
where:
bonds (distance) C4'-P energy: -22.900
bonds (distance) P-C4' energy: -21.876
flat angles C4'-P-C4' energy: -21.024
flat angles P-C4'-P energy: -16.750
tors. eta vs tors. theta energy: -23.368
Dist. restrs. and SS energy: -48.600 (S_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: 301
Temperature: 1.200000
Total energy: -277.275909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.275909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.275909 (E_RNA)
where:
Base-Base interactions energy: -154.147
where: short stacking energy: -76.174
Base-Backbone interact. energy: -0.429
local terms energy: -86.699891
where:
bonds (distance) C4'-P energy: -18.105
bonds (distance) P-C4' energy: -20.239
flat angles C4'-P-C4' energy: -18.812
flat angles P-C4'-P energy: -15.327
tors. eta vs tors. theta energy: -14.217
Dist. restrs. and SS energy: -36.000 (S_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: 301
Temperature: 1.250000
Total energy: -288.558768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.558768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.558768 (E_RNA)
where:
Base-Base interactions energy: -156.997
where: short stacking energy: -70.012
Base-Backbone interact. energy: 0.149
local terms energy: -95.711679
where:
bonds (distance) C4'-P energy: -18.908
bonds (distance) P-C4' energy: -21.364
flat angles C4'-P-C4' energy: -22.103
flat angles P-C4'-P energy: -15.384
tors. eta vs tors. theta energy: -17.953
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -262.812368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.812368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.812368 (E_RNA)
where:
Base-Base interactions energy: -150.656
where: short stacking energy: -73.417
Base-Backbone interact. energy: -0.208
local terms energy: -75.948450
where:
bonds (distance) C4'-P energy: -16.961
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -16.402
flat angles P-C4'-P energy: -14.497
tors. eta vs tors. theta energy: -13.028
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -259.174719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.174719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.174719 (E_RNA)
where:
Base-Base interactions energy: -143.466
where: short stacking energy: -66.560
Base-Backbone interact. energy: -0.463
local terms energy: -79.245825
where:
bonds (distance) C4'-P energy: -17.251
bonds (distance) P-C4' energy: -15.493
flat angles C4'-P-C4' energy: -17.796
flat angles P-C4'-P energy: -14.822
tors. eta vs tors. theta energy: -13.884
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -417.836525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.836525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.436525 (E_RNA)
where:
Base-Base interactions energy: -250.579
where: short stacking energy: -99.876
Base-Backbone interact. energy: -1.193
local terms energy: -115.664509
where:
bonds (distance) C4'-P energy: -21.066
bonds (distance) P-C4' energy: -25.850
flat angles C4'-P-C4' energy: -25.783
flat angles P-C4'-P energy: -19.125
tors. eta vs tors. theta energy: -23.841
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -398.745979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.745979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.145979 (E_RNA)
where:
Base-Base interactions energy: -238.656
where: short stacking energy: -93.553
Base-Backbone interact. energy: -0.180
local terms energy: -111.309398
where:
bonds (distance) C4'-P energy: -24.287
bonds (distance) P-C4' energy: -21.665
flat angles C4'-P-C4' energy: -22.299
flat angles P-C4'-P energy: -18.414
tors. eta vs tors. theta energy: -24.645
Dist. restrs. and SS energy: -48.600 (S_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: -405.719667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.719667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.319667 (E_RNA)
where:
Base-Base interactions energy: -238.025
where: short stacking energy: -94.790
Base-Backbone interact. energy: -1.259
local terms energy: -116.035862
where:
bonds (distance) C4'-P energy: -21.638
bonds (distance) P-C4' energy: -23.449
flat angles C4'-P-C4' energy: -25.482
flat angles P-C4'-P energy: -15.702
tors. eta vs tors. theta energy: -29.765
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -392.580525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.580525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.180525 (E_RNA)
where:
Base-Base interactions energy: -251.072
where: short stacking energy: -92.779
Base-Backbone interact. energy: 3.517
local terms energy: -94.625198
where:
bonds (distance) C4'-P energy: -20.806
bonds (distance) P-C4' energy: -23.558
flat angles C4'-P-C4' energy: -15.756
flat angles P-C4'-P energy: -10.458
tors. eta vs tors. theta energy: -24.047
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -362.547826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.547826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.147826 (E_RNA)
where:
Base-Base interactions energy: -213.988
where: short stacking energy: -81.176
Base-Backbone interact. energy: 0.804
local terms energy: -98.963593
where:
bonds (distance) C4'-P energy: -25.502
bonds (distance) P-C4' energy: -21.871
flat angles C4'-P-C4' energy: -19.235
flat angles P-C4'-P energy: -14.639
tors. eta vs tors. theta energy: -17.716
Dist. restrs. and SS energy: -50.400 (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: 4
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -282.536890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.536890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.536890 (E_RNA)
where:
Base-Base interactions energy: -162.729
where: short stacking energy: -73.859
Base-Backbone interact. energy: -0.623
local terms energy: -83.184902
where:
bonds (distance) C4'-P energy: -16.161
bonds (distance) P-C4' energy: -18.776
flat angles C4'-P-C4' energy: -16.039
flat angles P-C4'-P energy: -15.806
tors. eta vs tors. theta energy: -16.402
Dist. restrs. and SS energy: -36.000 (S_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: 302
Temperature: 1.200000
Total energy: -292.900339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.900339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.900339 (E_RNA)
where:
Base-Base interactions energy: -157.157
where: short stacking energy: -75.405
Base-Backbone interact. energy: -0.349
local terms energy: -99.394348
where:
bonds (distance) C4'-P energy: -21.030
bonds (distance) P-C4' energy: -21.222
flat angles C4'-P-C4' energy: -25.366
flat angles P-C4'-P energy: -15.685
tors. eta vs tors. theta energy: -16.091
Dist. restrs. and SS energy: -36.000 (S_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: -281.486685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.486685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.286685 (E_RNA)
where:
Base-Base interactions energy: -156.697
where: short stacking energy: -69.826
Base-Backbone interact. energy: -0.523
local terms energy: -90.066559
where:
bonds (distance) C4'-P energy: -21.940
bonds (distance) P-C4' energy: -21.934
flat angles C4'-P-C4' energy: -20.738
flat angles P-C4'-P energy: -11.517
tors. eta vs tors. theta energy: -13.937
Dist. restrs. and SS energy: -34.200 (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: 9
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -257.461985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.461985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.461985 (E_RNA)
where:
Base-Base interactions energy: -140.584
where: short stacking energy: -63.011
Base-Backbone interact. energy: -0.210
local terms energy: -80.667684
where:
bonds (distance) C4'-P energy: -21.490
bonds (distance) P-C4' energy: -20.780
flat angles C4'-P-C4' energy: -18.631
flat angles P-C4'-P energy: -7.624
tors. eta vs tors. theta energy: -12.143
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -276.534962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.534962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.334962 (E_RNA)
where:
Base-Base interactions energy: -163.309
where: short stacking energy: -64.530
Base-Backbone interact. energy: -0.131
local terms energy: -78.894119
where:
bonds (distance) C4'-P energy: -13.438
bonds (distance) P-C4' energy: -20.350
flat angles C4'-P-C4' energy: -17.179
flat angles P-C4'-P energy: -14.411
tors. eta vs tors. theta energy: -13.516
Dist. restrs. and SS energy: -34.200 (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: 10
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -421.472280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.472280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.072280 (E_RNA)
where:
Base-Base interactions energy: -256.197
where: short stacking energy: -90.212
Base-Backbone interact. energy: -2.627
local terms energy: -112.248664
where:
bonds (distance) C4'-P energy: -19.442
bonds (distance) P-C4' energy: -24.603
flat angles C4'-P-C4' energy: -24.443
flat angles P-C4'-P energy: -14.479
tors. eta vs tors. theta energy: -29.282
Dist. restrs. and SS energy: -50.400 (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: 8
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -410.558689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.558689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.158689 (E_RNA)
where:
Base-Base interactions energy: -249.541
where: short stacking energy: -100.984
Base-Backbone interact. energy: -0.853
local terms energy: -109.764479
where:
bonds (distance) C4'-P energy: -24.922
bonds (distance) P-C4' energy: -19.388
flat angles C4'-P-C4' energy: -23.291
flat angles P-C4'-P energy: -13.815
tors. eta vs tors. theta energy: -28.348
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -408.424530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.424530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.024530 (E_RNA)
where:
Base-Base interactions energy: -255.837
where: short stacking energy: -94.672
Base-Backbone interact. energy: -0.849
local terms energy: -101.338423
where:
bonds (distance) C4'-P energy: -20.554
bonds (distance) P-C4' energy: -21.719
flat angles C4'-P-C4' energy: -16.056
flat angles P-C4'-P energy: -13.382
tors. eta vs tors. theta energy: -29.627
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -401.604491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.604491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.204491 (E_RNA)
where:
Base-Base interactions energy: -239.889
where: short stacking energy: -101.534
Base-Backbone interact. energy: -1.039
local terms energy: -110.276806
where:
bonds (distance) C4'-P energy: -25.489
bonds (distance) P-C4' energy: -12.661
flat angles C4'-P-C4' energy: -23.273
flat angles P-C4'-P energy: -21.751
tors. eta vs tors. theta energy: -27.103
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -356.851568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.851568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.451568 (E_RNA)
where:
Base-Base interactions energy: -213.483
where: short stacking energy: -75.599
Base-Backbone interact. energy: -0.483
local terms energy: -92.486093
where:
bonds (distance) C4'-P energy: -21.966
bonds (distance) P-C4' energy: -19.666
flat angles C4'-P-C4' energy: -19.125
flat angles P-C4'-P energy: -17.565
tors. eta vs tors. theta energy: -14.165
Dist. restrs. and SS energy: -50.400 (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: 4
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -309.949625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.949625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.749625 (E_RNA)
where:
Base-Base interactions energy: -167.819
where: short stacking energy: -70.093
Base-Backbone interact. energy: 1.025
local terms energy: -99.954762
where:
bonds (distance) C4'-P energy: -21.262
bonds (distance) P-C4' energy: -21.154
flat angles C4'-P-C4' energy: -20.420
flat angles P-C4'-P energy: -17.709
tors. eta vs tors. theta energy: -19.409
Dist. restrs. and SS energy: -43.200 (S_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: 303
Temperature: 1.200000
Total energy: -306.084163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.084163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.084163 (E_RNA)
where:
Base-Base interactions energy: -168.908
where: short stacking energy: -80.265
Base-Backbone interact. energy: -0.245
local terms energy: -100.930738
where:
bonds (distance) C4'-P energy: -24.263
bonds (distance) P-C4' energy: -20.787
flat angles C4'-P-C4' energy: -19.112
flat angles P-C4'-P energy: -16.670
tors. eta vs tors. theta energy: -20.099
Dist. restrs. and SS energy: -36.000 (S_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: 303
Temperature: 1.250000
Total energy: -274.253232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.253232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.253232 (E_RNA)
where:
Base-Base interactions energy: -152.200
where: short stacking energy: -66.500
Base-Backbone interact. energy: -0.151
local terms energy: -85.901569
where:
bonds (distance) C4'-P energy: -19.338
bonds (distance) P-C4' energy: -25.283
flat angles C4'-P-C4' energy: -17.808
flat angles P-C4'-P energy: -11.641
tors. eta vs tors. theta energy: -11.831
Dist. restrs. and SS energy: -36.000 (S_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: -261.801277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.801277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.801277 (E_RNA)
where:
Base-Base interactions energy: -149.541
where: short stacking energy: -59.924
Base-Backbone interact. energy: -0.466
local terms energy: -75.793844
where:
bonds (distance) C4'-P energy: -17.498
bonds (distance) P-C4' energy: -16.725
flat angles C4'-P-C4' energy: -20.307
flat angles P-C4'-P energy: -11.063
tors. eta vs tors. theta energy: -10.201
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -245.536212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.536212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.536212 (E_RNA)
where:
Base-Base interactions energy: -136.326
where: short stacking energy: -57.148
Base-Backbone interact. energy: 0.075
local terms energy: -73.285437
where:
bonds (distance) C4'-P energy: -18.129
bonds (distance) P-C4' energy: -15.279
flat angles C4'-P-C4' energy: -21.715
flat angles P-C4'-P energy: -9.599
tors. eta vs tors. theta energy: -8.563
Dist. restrs. and SS energy: -36.000 (S_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: 304
Temperature: 0.900000
Total energy: -412.724615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.724615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.324615 (E_RNA)
where:
Base-Base interactions energy: -248.541
where: short stacking energy: -111.755
Base-Backbone interact. energy: -0.832
local terms energy: -112.951080
where:
bonds (distance) C4'-P energy: -19.781
bonds (distance) P-C4' energy: -21.916
flat angles C4'-P-C4' energy: -22.858
flat angles P-C4'-P energy: -15.869
tors. eta vs tors. theta energy: -32.527
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -407.941144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.941144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.541144 (E_RNA)
where:
Base-Base interactions energy: -249.210
where: short stacking energy: -103.763
Base-Backbone interact. energy: -2.068
local terms energy: -106.263400
where:
bonds (distance) C4'-P energy: -18.232
bonds (distance) P-C4' energy: -14.371
flat angles C4'-P-C4' energy: -24.144
flat angles P-C4'-P energy: -19.689
tors. eta vs tors. theta energy: -29.827
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -384.835215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.835215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.635215 (E_RNA)
where:
Base-Base interactions energy: -235.167
where: short stacking energy: -94.572
Base-Backbone interact. energy: -0.621
local terms energy: -105.847275
where:
bonds (distance) C4'-P energy: -17.328
bonds (distance) P-C4' energy: -20.320
flat angles C4'-P-C4' energy: -24.149
flat angles P-C4'-P energy: -15.062
tors. eta vs tors. theta energy: -28.988
Dist. restrs. and SS energy: -43.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -385.720163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.720163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.320163 (E_RNA)
where:
Base-Base interactions energy: -237.647
where: short stacking energy: -89.525
Base-Backbone interact. energy: -0.825
local terms energy: -96.848196
where:
bonds (distance) C4'-P energy: -15.005
bonds (distance) P-C4' energy: -18.051
flat angles C4'-P-C4' energy: -19.979
flat angles P-C4'-P energy: -13.657
tors. eta vs tors. theta energy: -30.157
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -356.489666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.489666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.889666 (E_RNA)
where:
Base-Base interactions energy: -209.197
where: short stacking energy: -81.006
Base-Backbone interact. energy: 0.931
local terms energy: -99.623609
where:
bonds (distance) C4'-P energy: -19.659
bonds (distance) P-C4' energy: -20.605
flat angles C4'-P-C4' energy: -21.199
flat angles P-C4'-P energy: -17.721
tors. eta vs tors. theta energy: -20.440
Dist. restrs. and SS energy: -48.600 (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: 4
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -307.284812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.284812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.684812 (E_RNA)
where:
Base-Base interactions energy: -179.870
where: short stacking energy: -59.605
Base-Backbone interact. energy: 0.128
local terms energy: -87.943446
where:
bonds (distance) C4'-P energy: -20.922
bonds (distance) P-C4' energy: -23.955
flat angles C4'-P-C4' energy: -18.494
flat angles P-C4'-P energy: -9.669
tors. eta vs tors. theta energy: -14.904
Dist. restrs. and SS energy: -39.600 (S_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: 304
Temperature: 1.200000
Total energy: -285.433704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.433704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.433704 (E_RNA)
where:
Base-Base interactions energy: -166.278
where: short stacking energy: -74.448
Base-Backbone interact. energy: -0.009
local terms energy: -83.146464
where:
bonds (distance) C4'-P energy: -11.258
bonds (distance) P-C4' energy: -22.468
flat angles C4'-P-C4' energy: -20.249
flat angles P-C4'-P energy: -11.981
tors. eta vs tors. theta energy: -17.190
Dist. restrs. and SS energy: -36.000 (S_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: 304
Temperature: 1.250000
Total energy: -273.739162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.739162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.739162 (E_RNA)
where:
Base-Base interactions energy: -154.072
where: short stacking energy: -66.764
Base-Backbone interact. energy: -0.478
local terms energy: -83.189045
where:
bonds (distance) C4'-P energy: -21.409
bonds (distance) P-C4' energy: -18.941
flat angles C4'-P-C4' energy: -13.263
flat angles P-C4'-P energy: -14.040
tors. eta vs tors. theta energy: -15.535
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -268.813446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.813446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.413446 (E_RNA)
where:
Base-Base interactions energy: -152.589
where: short stacking energy: -68.547
Base-Backbone interact. energy: -1.191
local terms energy: -82.634014
where:
bonds (distance) C4'-P energy: -14.834
bonds (distance) P-C4' energy: -18.258
flat angles C4'-P-C4' energy: -20.243
flat angles P-C4'-P energy: -14.567
tors. eta vs tors. theta energy: -14.732
Dist. restrs. and SS energy: -32.400 (S_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: 304
Temperature: 1.350000
Total energy: -257.205417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.205417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.205417 (E_RNA)
where:
Base-Base interactions energy: -144.333
where: short stacking energy: -70.918
Base-Backbone interact. energy: -0.843
local terms energy: -76.029485
where:
bonds (distance) C4'-P energy: -18.173
bonds (distance) P-C4' energy: -11.340
flat angles C4'-P-C4' energy: -21.849
flat angles P-C4'-P energy: -9.892
tors. eta vs tors. theta energy: -14.774
Dist. restrs. and SS energy: -36.000 (S_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: 305
Temperature: 0.900000
Total energy: -414.737511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.737511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.337511 (E_RNA)
where:
Base-Base interactions energy: -254.547
where: short stacking energy: -108.549
Base-Backbone interact. energy: -1.195
local terms energy: -108.596166
where:
bonds (distance) C4'-P energy: -18.409
bonds (distance) P-C4' energy: -16.316
flat angles C4'-P-C4' energy: -26.540
flat angles P-C4'-P energy: -14.427
tors. eta vs tors. theta energy: -32.904
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -420.042517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.042517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.642517 (E_RNA)
where:
Base-Base interactions energy: -260.990
where: short stacking energy: -92.205
Base-Backbone interact. energy: -1.146
local terms energy: -107.505629
where:
bonds (distance) C4'-P energy: -20.903
bonds (distance) P-C4' energy: -17.888
flat angles C4'-P-C4' energy: -24.593
flat angles P-C4'-P energy: -16.874
tors. eta vs tors. theta energy: -27.248
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -395.127860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.127860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.727860 (E_RNA)
where:
Base-Base interactions energy: -237.075
where: short stacking energy: -92.650
Base-Backbone interact. energy: -1.036
local terms energy: -106.616416
where:
bonds (distance) C4'-P energy: -18.977
bonds (distance) P-C4' energy: -24.725
flat angles C4'-P-C4' energy: -20.101
flat angles P-C4'-P energy: -12.805
tors. eta vs tors. theta energy: -30.009
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -357.617362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.617362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.217362 (E_RNA)
where:
Base-Base interactions energy: -210.666
where: short stacking energy: -65.762
Base-Backbone interact. energy: -3.315
local terms energy: -93.236704
where:
bonds (distance) C4'-P energy: -18.629
bonds (distance) P-C4' energy: -21.343
flat angles C4'-P-C4' energy: -19.637
flat angles P-C4'-P energy: -15.134
tors. eta vs tors. theta energy: -18.494
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -382.070225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.070225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.670225 (E_RNA)
where:
Base-Base interactions energy: -229.767
where: short stacking energy: -96.488
Base-Backbone interact. energy: 1.001
local terms energy: -102.903512
where:
bonds (distance) C4'-P energy: -17.919
bonds (distance) P-C4' energy: -21.042
flat angles C4'-P-C4' energy: -21.855
flat angles P-C4'-P energy: -14.798
tors. eta vs tors. theta energy: -27.289
Dist. restrs. and SS energy: -50.400 (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: 3
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -312.241345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.241345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.241345 (E_RNA)
where:
Base-Base interactions energy: -173.549
where: short stacking energy: -84.695
Base-Backbone interact. energy: -0.253
local terms energy: -102.439832
where:
bonds (distance) C4'-P energy: -22.684
bonds (distance) P-C4' energy: -17.647
flat angles C4'-P-C4' energy: -26.801
flat angles P-C4'-P energy: -16.241
tors. eta vs tors. theta energy: -19.068
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -282.591088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.591088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.591088 (E_RNA)
where:
Base-Base interactions energy: -164.317
where: short stacking energy: -76.927
Base-Backbone interact. energy: -0.539
local terms energy: -81.734837
where:
bonds (distance) C4'-P energy: -13.345
bonds (distance) P-C4' energy: -18.036
flat angles C4'-P-C4' energy: -19.084
flat angles P-C4'-P energy: -17.151
tors. eta vs tors. theta energy: -14.119
Dist. restrs. and SS energy: -36.000 (S_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: 305
Temperature: 1.250000
Total energy: -285.520265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.520265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.520265 (E_RNA)
where:
Base-Base interactions energy: -161.785
where: short stacking energy: -68.601
Base-Backbone interact. energy: -0.236
local terms energy: -87.499638
where:
bonds (distance) C4'-P energy: -15.979
bonds (distance) P-C4' energy: -18.536
flat angles C4'-P-C4' energy: -21.272
flat angles P-C4'-P energy: -12.140
tors. eta vs tors. theta energy: -19.573
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -270.343267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.343267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.143267 (E_RNA)
where:
Base-Base interactions energy: -142.134
where: short stacking energy: -66.150
Base-Backbone interact. energy: -0.281
local terms energy: -93.728898
where:
bonds (distance) C4'-P energy: -23.268
bonds (distance) P-C4' energy: -20.408
flat angles C4'-P-C4' energy: -20.766
flat angles P-C4'-P energy: -16.135
tors. eta vs tors. theta energy: -13.152
Dist. restrs. and SS energy: -34.200 (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: 6
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -222.080280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.080280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.080280 (E_RNA)
where:
Base-Base interactions energy: -113.328
where: short stacking energy: -44.316
Base-Backbone interact. energy: -1.528
local terms energy: -71.224295
where:
bonds (distance) C4'-P energy: -18.096
bonds (distance) P-C4' energy: -18.103
flat angles C4'-P-C4' energy: -23.244
flat angles P-C4'-P energy: -10.354
tors. eta vs tors. theta energy: -1.427
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -417.892336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.892336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.492336 (E_RNA)
where:
Base-Base interactions energy: -255.170
where: short stacking energy: -108.593
Base-Backbone interact. energy: 1.973
local terms energy: -114.295652
where:
bonds (distance) C4'-P energy: -20.115
bonds (distance) P-C4' energy: -24.184
flat angles C4'-P-C4' energy: -25.519
flat angles P-C4'-P energy: -15.393
tors. eta vs tors. theta energy: -29.084
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -411.801352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.801352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.201352 (E_RNA)
where:
Base-Base interactions energy: -242.316
where: short stacking energy: -86.463
Base-Backbone interact. energy: -0.678
local terms energy: -120.207317
where:
bonds (distance) C4'-P energy: -24.715
bonds (distance) P-C4' energy: -26.219
flat angles C4'-P-C4' energy: -21.009
flat angles P-C4'-P energy: -17.988
tors. eta vs tors. theta energy: -30.276
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. 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: -406.096093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.096093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.496093 (E_RNA)
where:
Base-Base interactions energy: -244.270
where: short stacking energy: -86.436
Base-Backbone interact. energy: -1.605
local terms energy: -111.620983
where:
bonds (distance) C4'-P energy: -17.014
bonds (distance) P-C4' energy: -23.528
flat angles C4'-P-C4' energy: -24.199
flat angles P-C4'-P energy: -18.471
tors. eta vs tors. theta energy: -28.408
Dist. restrs. and SS energy: -48.600 (S_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: 306
Temperature: 1.050000
Total energy: -367.898490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.898490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.498490 (E_RNA)
where:
Base-Base interactions energy: -216.610
where: short stacking energy: -78.618
Base-Backbone interact. energy: -0.835
local terms energy: -100.053511
where:
bonds (distance) C4'-P energy: -18.863
bonds (distance) P-C4' energy: -23.799
flat angles C4'-P-C4' energy: -21.612
flat angles P-C4'-P energy: -17.709
tors. eta vs tors. theta energy: -18.070
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -301.906871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.906871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.906871 (E_RNA)
where:
Base-Base interactions energy: -164.045
where: short stacking energy: -81.332
Base-Backbone interact. energy: -0.477
local terms energy: -101.385182
where:
bonds (distance) C4'-P energy: -22.029
bonds (distance) P-C4' energy: -26.125
flat angles C4'-P-C4' energy: -25.724
flat angles P-C4'-P energy: -14.761
tors. eta vs tors. theta energy: -12.748
Dist. restrs. and SS energy: -36.000 (S_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: 306
Temperature: 1.150000
Total energy: -374.649253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.649253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.849253 (E_RNA)
where:
Base-Base interactions energy: -235.910
where: short stacking energy: -85.434
Base-Backbone interact. energy: -0.204
local terms energy: -91.735075
where:
bonds (distance) C4'-P energy: -20.323
bonds (distance) P-C4' energy: -14.414
flat angles C4'-P-C4' energy: -15.763
flat angles P-C4'-P energy: -11.558
tors. eta vs tors. theta energy: -29.678
Dist. restrs. and SS energy: -46.800 (S_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: 306
Temperature: 1.200000
Total energy: -281.974891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.974891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.974891 (E_RNA)
where:
Base-Base interactions energy: -156.740
where: short stacking energy: -68.750
Base-Backbone interact. energy: -0.132
local terms energy: -89.102265
where:
bonds (distance) C4'-P energy: -23.253
bonds (distance) P-C4' energy: -19.119
flat angles C4'-P-C4' energy: -17.632
flat angles P-C4'-P energy: -14.020
tors. eta vs tors. theta energy: -15.079
Dist. restrs. and SS energy: -36.000 (S_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: 306
Temperature: 1.250000
Total energy: -285.254143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.254143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.054143 (E_RNA)
where:
Base-Base interactions energy: -158.769
where: short stacking energy: -65.368
Base-Backbone interact. energy: -0.196
local terms energy: -83.089133
where:
bonds (distance) C4'-P energy: -10.782
bonds (distance) P-C4' energy: -20.886
flat angles C4'-P-C4' energy: -21.706
flat angles P-C4'-P energy: -12.100
tors. eta vs tors. theta energy: -17.614
Dist. restrs. and SS energy: -43.200 (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: 9
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -258.241096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.241096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.241096 (E_RNA)
where:
Base-Base interactions energy: -145.885
where: short stacking energy: -59.279
Base-Backbone interact. energy: 1.772
local terms energy: -78.127378
where:
bonds (distance) C4'-P energy: -15.097
bonds (distance) P-C4' energy: -20.350
flat angles C4'-P-C4' energy: -19.543
flat angles P-C4'-P energy: -11.494
tors. eta vs tors. theta energy: -11.645
Dist. restrs. and SS energy: -36.000 (S_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: -241.027592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.027592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.027592 (E_RNA)
where:
Base-Base interactions energy: -128.469
where: short stacking energy: -49.665
Base-Backbone interact. energy: -1.109
local terms energy: -75.450245
where:
bonds (distance) C4'-P energy: -22.637
bonds (distance) P-C4' energy: -15.883
flat angles C4'-P-C4' energy: -19.647
flat angles P-C4'-P energy: -16.337
tors. eta vs tors. theta energy: -0.947
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -413.745299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.745299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.345299 (E_RNA)
where:
Base-Base interactions energy: -248.019
where: short stacking energy: -105.842
Base-Backbone interact. energy: -0.081
local terms energy: -115.245490
where:
bonds (distance) C4'-P energy: -23.021
bonds (distance) P-C4' energy: -18.949
flat angles C4'-P-C4' energy: -24.130
flat angles P-C4'-P energy: -18.919
tors. eta vs tors. theta energy: -30.226
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -415.604199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.604199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.204199 (E_RNA)
where:
Base-Base interactions energy: -257.908
where: short stacking energy: -94.820
Base-Backbone interact. energy: -1.681
local terms energy: -105.615751
where:
bonds (distance) C4'-P energy: -14.726
bonds (distance) P-C4' energy: -21.814
flat angles C4'-P-C4' energy: -21.335
flat angles P-C4'-P energy: -17.988
tors. eta vs tors. theta energy: -29.753
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -398.961620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.961620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.561620 (E_RNA)
where:
Base-Base interactions energy: -245.154
where: short stacking energy: -98.092
Base-Backbone interact. energy: -0.903
local terms energy: -102.504385
where:
bonds (distance) C4'-P energy: -19.723
bonds (distance) P-C4' energy: -15.877
flat angles C4'-P-C4' energy: -26.071
flat angles P-C4'-P energy: -15.349
tors. eta vs tors. theta energy: -25.485
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -366.949155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.949155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.549155 (E_RNA)
where:
Base-Base interactions energy: -210.995
where: short stacking energy: -77.951
Base-Backbone interact. energy: -0.867
local terms energy: -104.687323
where:
bonds (distance) C4'-P energy: -22.182
bonds (distance) P-C4' energy: -24.402
flat angles C4'-P-C4' energy: -27.124
flat angles P-C4'-P energy: -13.817
tors. eta vs tors. theta energy: -17.162
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -284.556994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.556994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.556994 (E_RNA)
where:
Base-Base interactions energy: -162.758
where: short stacking energy: -74.175
Base-Backbone interact. energy: -0.259
local terms energy: -85.539630
where:
bonds (distance) C4'-P energy: -21.535
bonds (distance) P-C4' energy: -17.830
flat angles C4'-P-C4' energy: -20.978
flat angles P-C4'-P energy: -13.581
tors. eta vs tors. theta energy: -11.615
Dist. restrs. and SS energy: -36.000 (S_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: 307
Temperature: 1.150000
Total energy: -349.279396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.279396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.879396 (E_RNA)
where:
Base-Base interactions energy: -204.413
where: short stacking energy: -76.102
Base-Backbone interact. energy: -0.301
local terms energy: -94.165699
where:
bonds (distance) C4'-P energy: -25.058
bonds (distance) P-C4' energy: -21.186
flat angles C4'-P-C4' energy: -15.831
flat angles P-C4'-P energy: -13.163
tors. eta vs tors. theta energy: -18.928
Dist. restrs. and SS energy: -50.400 (S_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: 307
Temperature: 1.200000
Total energy: -303.724978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.724978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.724978 (E_RNA)
where:
Base-Base interactions energy: -181.905
where: short stacking energy: -67.892
Base-Backbone interact. energy: -0.783
local terms energy: -85.037601
where:
bonds (distance) C4'-P energy: -20.215
bonds (distance) P-C4' energy: -23.742
flat angles C4'-P-C4' energy: -19.947
flat angles P-C4'-P energy: -5.742
tors. eta vs tors. theta energy: -15.391
Dist. restrs. and SS energy: -36.000 (S_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: 307
Temperature: 1.250000
Total energy: -265.862791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.862791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.662791 (E_RNA)
where:
Base-Base interactions energy: -138.984
where: short stacking energy: -58.910
Base-Backbone interact. energy: -0.568
local terms energy: -92.110921
where:
bonds (distance) C4'-P energy: -18.138
bonds (distance) P-C4' energy: -21.163
flat angles C4'-P-C4' energy: -20.489
flat angles P-C4'-P energy: -19.196
tors. eta vs tors. theta energy: -13.124
Dist. restrs. and SS energy: -34.200 (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: 4
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -253.779446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.779446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.779446 (E_RNA)
where:
Base-Base interactions energy: -129.991
where: short stacking energy: -56.203
Base-Backbone interact. energy: -0.015
local terms energy: -87.773372
where:
bonds (distance) C4'-P energy: -21.762
bonds (distance) P-C4' energy: -23.096
flat angles C4'-P-C4' energy: -19.819
flat angles P-C4'-P energy: -14.389
tors. eta vs tors. theta energy: -8.707
Dist. restrs. and SS energy: -36.000 (S_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: -250.892293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.892293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.892293 (E_RNA)
where:
Base-Base interactions energy: -132.797
where: short stacking energy: -53.090
Base-Backbone interact. energy: -0.536
local terms energy: -81.559483
where:
bonds (distance) C4'-P energy: -17.186
bonds (distance) P-C4' energy: -17.536
flat angles C4'-P-C4' energy: -20.245
flat angles P-C4'-P energy: -21.241
tors. eta vs tors. theta energy: -5.351
Dist. restrs. and SS energy: -36.000 (S_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: 308
Temperature: 0.900000
Total energy: -414.688036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.688036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.288036 (E_RNA)
where:
Base-Base interactions energy: -252.548
where: short stacking energy: -96.972
Base-Backbone interact. energy: -0.715
local terms energy: -111.025080
where:
bonds (distance) C4'-P energy: -22.007
bonds (distance) P-C4' energy: -23.401
flat angles C4'-P-C4' energy: -19.546
flat angles P-C4'-P energy: -18.516
tors. eta vs tors. theta energy: -27.554
Dist. restrs. and SS energy: -50.400 (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: 8
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -418.462980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.462980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.062980 (E_RNA)
where:
Base-Base interactions energy: -258.013
where: short stacking energy: -99.904
Base-Backbone interact. energy: -0.191
local terms energy: -109.858377
where:
bonds (distance) C4'-P energy: -20.021
bonds (distance) P-C4' energy: -18.418
flat angles C4'-P-C4' energy: -22.320
flat angles P-C4'-P energy: -18.750
tors. eta vs tors. theta energy: -30.350
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -390.354642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.354642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.954642 (E_RNA)
where:
Base-Base interactions energy: -230.686
where: short stacking energy: -98.701
Base-Backbone interact. energy: 0.860
local terms energy: -110.128291
where:
bonds (distance) C4'-P energy: -19.842
bonds (distance) P-C4' energy: -22.291
flat angles C4'-P-C4' energy: -26.288
flat angles P-C4'-P energy: -13.163
tors. eta vs tors. theta energy: -28.545
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -389.314077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.314077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.914077 (E_RNA)
where:
Base-Base interactions energy: -233.051
where: short stacking energy: -99.826
Base-Backbone interact. energy: -0.162
local terms energy: -105.700863
where:
bonds (distance) C4'-P energy: -19.292
bonds (distance) P-C4' energy: -25.705
flat angles C4'-P-C4' energy: -20.563
flat angles P-C4'-P energy: -13.297
tors. eta vs tors. theta energy: -26.845
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -360.911976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.911976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.311976 (E_RNA)
where:
Base-Base interactions energy: -208.856
where: short stacking energy: -75.656
Base-Backbone interact. energy: -1.940
local terms energy: -101.515634
where:
bonds (distance) C4'-P energy: -19.756
bonds (distance) P-C4' energy: -27.244
flat angles C4'-P-C4' energy: -18.509
flat angles P-C4'-P energy: -18.124
tors. eta vs tors. theta energy: -17.882
Dist. restrs. and SS energy: -48.600 (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: 3
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -287.293547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.293547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.293547 (E_RNA)
where:
Base-Base interactions energy: -151.393
where: short stacking energy: -66.144
Base-Backbone interact. energy: -0.189
local terms energy: -99.711411
where:
bonds (distance) C4'-P energy: -24.140
bonds (distance) P-C4' energy: -21.463
flat angles C4'-P-C4' energy: -19.891
flat angles P-C4'-P energy: -18.482
tors. eta vs tors. theta energy: -15.736
Dist. restrs. and SS energy: -36.000 (S_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: 308
Temperature: 1.200000
Total energy: -279.905235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.905235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.905235 (E_RNA)
where:
Base-Base interactions energy: -155.239
where: short stacking energy: -77.500
Base-Backbone interact. energy: -0.113
local terms energy: -88.553176
where:
bonds (distance) C4'-P energy: -18.815
bonds (distance) P-C4' energy: -16.821
flat angles C4'-P-C4' energy: -23.115
flat angles P-C4'-P energy: -11.765
tors. eta vs tors. theta energy: -18.037
Dist. restrs. and SS energy: -36.000 (S_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: 308
Temperature: 1.250000
Total energy: -275.633863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.633863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.633863 (E_RNA)
where:
Base-Base interactions energy: -152.896
where: short stacking energy: -69.651
Base-Backbone interact. energy: 2.367
local terms energy: -89.104640
where:
bonds (distance) C4'-P energy: -17.969
bonds (distance) P-C4' energy: -20.275
flat angles C4'-P-C4' energy: -20.726
flat angles P-C4'-P energy: -9.974
tors. eta vs tors. theta energy: -20.160
Dist. restrs. and SS energy: -36.000 (S_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: 308
Temperature: 1.300000
Total energy: -258.617018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.617018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.617018 (E_RNA)
where:
Base-Base interactions energy: -146.717
where: short stacking energy: -60.921
Base-Backbone interact. energy: 2.161
local terms energy: -78.061087
where:
bonds (distance) C4'-P energy: -23.169
bonds (distance) P-C4' energy: -16.541
flat angles C4'-P-C4' energy: -18.061
flat angles P-C4'-P energy: -11.739
tors. eta vs tors. theta energy: -8.551
Dist. restrs. and SS energy: -36.000 (S_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: -276.280612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.280612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.080612 (E_RNA)
where:
Base-Base interactions energy: -154.171
where: short stacking energy: -58.363
Base-Backbone interact. energy: -1.083
local terms energy: -86.825983
where:
bonds (distance) C4'-P energy: -20.731
bonds (distance) P-C4' energy: -18.771
flat angles C4'-P-C4' energy: -15.298
flat angles P-C4'-P energy: -19.860
tors. eta vs tors. theta energy: -12.166
Dist. restrs. and SS energy: -34.200 (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: 309
Temperature: 0.900000
Total energy: -413.453773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.453773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.053773 (E_RNA)
where:
Base-Base interactions energy: -247.688
where: short stacking energy: -99.031
Base-Backbone interact. energy: -0.558
local terms energy: -114.807934
where:
bonds (distance) C4'-P energy: -23.824
bonds (distance) P-C4' energy: -24.216
flat angles C4'-P-C4' energy: -24.337
flat angles P-C4'-P energy: -16.133
tors. eta vs tors. theta energy: -26.298
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -396.436378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.436378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.036378 (E_RNA)
where:
Base-Base interactions energy: -243.988
where: short stacking energy: -94.806
Base-Backbone interact. energy: -1.170
local terms energy: -100.878046
where:
bonds (distance) C4'-P energy: -23.191
bonds (distance) P-C4' energy: -15.954
flat angles C4'-P-C4' energy: -23.897
flat angles P-C4'-P energy: -14.371
tors. eta vs tors. theta energy: -23.466
Dist. restrs. and SS energy: -50.400 (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: 309
Temperature: 1.000000
Total energy: -406.188351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.188351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.788351 (E_RNA)
where:
Base-Base interactions energy: -249.582
where: short stacking energy: -99.425
Base-Backbone interact. energy: -0.803
local terms energy: -105.403583
where:
bonds (distance) C4'-P energy: -22.139
bonds (distance) P-C4' energy: -21.072
flat angles C4'-P-C4' energy: -22.932
flat angles P-C4'-P energy: -12.893
tors. eta vs tors. theta energy: -26.367
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -385.683457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.683457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.283457 (E_RNA)
where:
Base-Base interactions energy: -229.163
where: short stacking energy: -82.896
Base-Backbone interact. energy: -1.286
local terms energy: -104.834319
where:
bonds (distance) C4'-P energy: -23.680
bonds (distance) P-C4' energy: -20.941
flat angles C4'-P-C4' energy: -15.775
flat angles P-C4'-P energy: -18.626
tors. eta vs tors. theta energy: -25.812
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -363.935227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.935227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.535227 (E_RNA)
where:
Base-Base interactions energy: -219.257
where: short stacking energy: -87.069
Base-Backbone interact. energy: -0.291
local terms energy: -93.987779
where:
bonds (distance) C4'-P energy: -22.798
bonds (distance) P-C4' energy: -17.218
flat angles C4'-P-C4' energy: -20.718
flat angles P-C4'-P energy: -11.001
tors. eta vs tors. theta energy: -22.252
Dist. restrs. and SS energy: -50.400 (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: 3
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -285.353580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.353580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.353580 (E_RNA)
where:
Base-Base interactions energy: -154.134
where: short stacking energy: -67.778
Base-Backbone interact. energy: -0.624
local terms energy: -94.596460
where:
bonds (distance) C4'-P energy: -19.987
bonds (distance) P-C4' energy: -23.201
flat angles C4'-P-C4' energy: -26.602
flat angles P-C4'-P energy: -8.125
tors. eta vs tors. theta energy: -16.681
Dist. restrs. and SS energy: -36.000 (S_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: 309
Temperature: 1.200000
Total energy: -258.346892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.346892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.346892 (E_RNA)
where:
Base-Base interactions energy: -142.120
where: short stacking energy: -66.757
Base-Backbone interact. energy: -0.057
local terms energy: -80.170564
where:
bonds (distance) C4'-P energy: -17.536
bonds (distance) P-C4' energy: -19.645
flat angles C4'-P-C4' energy: -19.367
flat angles P-C4'-P energy: -13.966
tors. eta vs tors. theta energy: -9.657
Dist. restrs. and SS energy: -36.000 (S_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: 309
Temperature: 1.250000
Total energy: -254.520241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.520241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.520241 (E_RNA)
where:
Base-Base interactions energy: -146.554
where: short stacking energy: -66.552
Base-Backbone interact. energy: -1.219
local terms energy: -70.747779
where:
bonds (distance) C4'-P energy: -15.574
bonds (distance) P-C4' energy: -22.054
flat angles C4'-P-C4' energy: -15.054
flat angles P-C4'-P energy: -7.442
tors. eta vs tors. theta energy: -10.624
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -255.332502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.332502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.332502 (E_RNA)
where:
Base-Base interactions energy: -135.277
where: short stacking energy: -58.021
Base-Backbone interact. energy: -0.404
local terms energy: -83.651241
where:
bonds (distance) C4'-P energy: -23.197
bonds (distance) P-C4' energy: -18.697
flat angles C4'-P-C4' energy: -22.095
flat angles P-C4'-P energy: -10.596
tors. eta vs tors. theta energy: -9.066
Dist. restrs. and SS energy: -36.000 (S_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: -267.351567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.351567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.351567 (E_RNA)
where:
Base-Base interactions energy: -146.863
where: short stacking energy: -64.310
Base-Backbone interact. energy: -0.890
local terms energy: -83.597928
where:
bonds (distance) C4'-P energy: -21.880
bonds (distance) P-C4' energy: -19.757
flat angles C4'-P-C4' energy: -15.641
flat angles P-C4'-P energy: -12.192
tors. eta vs tors. theta energy: -14.129
Dist. restrs. and SS energy: -36.000 (S_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: 310
Temperature: 0.900000
Total energy: -418.053765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.053765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.653765 (E_RNA)
where:
Base-Base interactions energy: -250.736
where: short stacking energy: -104.798
Base-Backbone interact. energy: 0.793
local terms energy: -117.710541
where:
bonds (distance) C4'-P energy: -21.851
bonds (distance) P-C4' energy: -25.676
flat angles C4'-P-C4' energy: -25.465
flat angles P-C4'-P energy: -16.071
tors. eta vs tors. theta energy: -28.647
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -408.252406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.252406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.852406 (E_RNA)
where:
Base-Base interactions energy: -239.979
where: short stacking energy: -91.519
Base-Backbone interact. energy: -0.336
local terms energy: -117.537055
where:
bonds (distance) C4'-P energy: -21.166
bonds (distance) P-C4' energy: -25.237
flat angles C4'-P-C4' energy: -26.071
flat angles P-C4'-P energy: -19.425
tors. eta vs tors. theta energy: -25.638
Dist. restrs. and SS energy: -50.400 (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: 310
Temperature: 1.000000
Total energy: -418.002431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.002431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.602431 (E_RNA)
where:
Base-Base interactions energy: -247.350
where: short stacking energy: -99.469
Base-Backbone interact. energy: -0.869
local terms energy: -119.383375
where:
bonds (distance) C4'-P energy: -23.724
bonds (distance) P-C4' energy: -20.963
flat angles C4'-P-C4' energy: -23.564
flat angles P-C4'-P energy: -18.451
tors. eta vs tors. theta energy: -32.681
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -389.880171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.880171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.280171 (E_RNA)
where:
Base-Base interactions energy: -240.128
where: short stacking energy: -91.110
Base-Backbone interact. energy: -0.517
local terms energy: -100.635384
where:
bonds (distance) C4'-P energy: -19.825
bonds (distance) P-C4' energy: -21.227
flat angles C4'-P-C4' energy: -20.649
flat angles P-C4'-P energy: -15.662
tors. eta vs tors. theta energy: -23.272
Dist. restrs. and SS energy: -48.600 (S_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: 310
Temperature: 1.100000
Total energy: -356.006186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.006186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.206186 (E_RNA)
where:
Base-Base interactions energy: -207.222
where: short stacking energy: -86.539
Base-Backbone interact. energy: -0.166
local terms energy: -101.817887
where:
bonds (distance) C4'-P energy: -17.987
bonds (distance) P-C4' energy: -20.231
flat angles C4'-P-C4' energy: -25.041
flat angles P-C4'-P energy: -18.422
tors. eta vs tors. theta energy: -20.137
Dist. restrs. and SS energy: -46.800 (S_DIST_RNA)
chem. 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: -285.359076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.359076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.359076 (E_RNA)
where:
Base-Base interactions energy: -152.446
where: short stacking energy: -72.963
Base-Backbone interact. energy: -0.312
local terms energy: -96.601502
where:
bonds (distance) C4'-P energy: -21.099
bonds (distance) P-C4' energy: -26.216
flat angles C4'-P-C4' energy: -16.282
flat angles P-C4'-P energy: -12.114
tors. eta vs tors. theta energy: -20.890
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -289.324538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.324538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.324538 (E_RNA)
where:
Base-Base interactions energy: -170.182
where: short stacking energy: -76.291
Base-Backbone interact. energy: -0.145
local terms energy: -82.996885
where:
bonds (distance) C4'-P energy: -21.253
bonds (distance) P-C4' energy: -12.983
flat angles C4'-P-C4' energy: -22.161
flat angles P-C4'-P energy: -13.988
tors. eta vs tors. theta energy: -12.612
Dist. restrs. and SS energy: -36.000 (S_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: 310
Temperature: 1.250000
Total energy: -265.585517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.585517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.585517 (E_RNA)
where:
Base-Base interactions energy: -145.592
where: short stacking energy: -67.766
Base-Backbone interact. energy: -0.310
local terms energy: -83.683867
where:
bonds (distance) C4'-P energy: -19.034
bonds (distance) P-C4' energy: -21.615
flat angles C4'-P-C4' energy: -15.384
flat angles P-C4'-P energy: -13.954
tors. eta vs tors. theta energy: -13.697
Dist. restrs. and SS energy: -36.000 (S_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: 310
Temperature: 1.300000
Total energy: -271.394338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.394338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.394338 (E_RNA)
where:
Base-Base interactions energy: -157.027
where: short stacking energy: -73.014
Base-Backbone interact. energy: 1.918
local terms energy: -80.284734
where:
bonds (distance) C4'-P energy: -15.092
bonds (distance) P-C4' energy: -17.697
flat angles C4'-P-C4' energy: -23.416
flat angles P-C4'-P energy: -11.148
tors. eta vs tors. theta energy: -12.933
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -254.342825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.342825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.342825 (E_RNA)
where:
Base-Base interactions energy: -137.138
where: short stacking energy: -62.744
Base-Backbone interact. energy: 0.730
local terms energy: -81.934485
where:
bonds (distance) C4'-P energy: -16.116
bonds (distance) P-C4' energy: -22.507
flat angles C4'-P-C4' energy: -20.744
flat angles P-C4'-P energy: -14.605
tors. eta vs tors. theta energy: -7.963
Dist. restrs. and SS energy: -36.000 (S_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: 311
Temperature: 0.900000
Total energy: -415.076157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.076157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.676157 (E_RNA)
where:
Base-Base interactions energy: -255.367
where: short stacking energy: -93.840
Base-Backbone interact. energy: -0.847
local terms energy: -108.461635
where:
bonds (distance) C4'-P energy: -20.844
bonds (distance) P-C4' energy: -21.786
flat angles C4'-P-C4' energy: -20.313
flat angles P-C4'-P energy: -18.391
tors. eta vs tors. theta energy: -27.129
Dist. restrs. and SS energy: -50.400 (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: 8
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -411.110371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.110371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.510371 (E_RNA)
where:
Base-Base interactions energy: -249.943
where: short stacking energy: -95.452
Base-Backbone interact. energy: -1.048
local terms energy: -111.519081
where:
bonds (distance) C4'-P energy: -19.338
bonds (distance) P-C4' energy: -26.604
flat angles C4'-P-C4' energy: -26.186
flat angles P-C4'-P energy: -11.498
tors. eta vs tors. theta energy: -27.894
Dist. restrs. and SS energy: -48.600 (S_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: 311
Temperature: 1.000000
Total energy: -399.864462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.864462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.864462 (E_RNA)
where:
Base-Base interactions energy: -248.365
where: short stacking energy: -95.197
Base-Backbone interact. energy: -0.600
local terms energy: -105.899923
where:
bonds (distance) C4'-P energy: -21.141
bonds (distance) P-C4' energy: -21.346
flat angles C4'-P-C4' energy: -20.389
flat angles P-C4'-P energy: -16.799
tors. eta vs tors. theta energy: -26.226
Dist. restrs. and SS energy: -45.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -408.550339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.550339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.150339 (E_RNA)
where:
Base-Base interactions energy: -247.698
where: short stacking energy: -92.309
Base-Backbone interact. energy: -0.040
local terms energy: -110.412413
where:
bonds (distance) C4'-P energy: -22.028
bonds (distance) P-C4' energy: -23.336
flat angles C4'-P-C4' energy: -20.455
flat angles P-C4'-P energy: -16.433
tors. eta vs tors. theta energy: -28.160
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -353.965428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.965428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.565428 (E_RNA)
where:
Base-Base interactions energy: -206.363
where: short stacking energy: -88.598
Base-Backbone interact. energy: -0.093
local terms energy: -97.110112
where:
bonds (distance) C4'-P energy: -17.544
bonds (distance) P-C4' energy: -19.864
flat angles C4'-P-C4' energy: -20.706
flat angles P-C4'-P energy: -17.613
tors. eta vs tors. theta energy: -21.383
Dist. restrs. and SS energy: -50.400 (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: 4
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -300.691322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.691322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.691322 (E_RNA)
where:
Base-Base interactions energy: -176.296
where: short stacking energy: -79.233
Base-Backbone interact. energy: -0.197
local terms energy: -88.198187
where:
bonds (distance) C4'-P energy: -16.695
bonds (distance) P-C4' energy: -18.529
flat angles C4'-P-C4' energy: -25.305
flat angles P-C4'-P energy: -10.277
tors. eta vs tors. theta energy: -17.392
Dist. restrs. and SS energy: -36.000 (S_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: -270.822774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.822774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.822774 (E_RNA)
where:
Base-Base interactions energy: -148.992
where: short stacking energy: -67.105
Base-Backbone interact. energy: -0.200
local terms energy: -85.630246
where:
bonds (distance) C4'-P energy: -22.587
bonds (distance) P-C4' energy: -20.529
flat angles C4'-P-C4' energy: -15.311
flat angles P-C4'-P energy: -15.452
tors. eta vs tors. theta energy: -11.751
Dist. restrs. and SS energy: -36.000 (S_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: 311
Temperature: 1.250000
Total energy: -288.725000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.725000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.725000 (E_RNA)
where:
Base-Base interactions energy: -166.817
where: short stacking energy: -72.901
Base-Backbone interact. energy: -0.601
local terms energy: -85.307018
where:
bonds (distance) C4'-P energy: -19.681
bonds (distance) P-C4' energy: -17.012
flat angles C4'-P-C4' energy: -19.669
flat angles P-C4'-P energy: -11.893
tors. eta vs tors. theta energy: -17.052
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -245.567203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.567203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.567203 (E_RNA)
where:
Base-Base interactions energy: -130.365
where: short stacking energy: -62.001
Base-Backbone interact. energy: -0.221
local terms energy: -78.981340
where:
bonds (distance) C4'-P energy: -18.390
bonds (distance) P-C4' energy: -19.451
flat angles C4'-P-C4' energy: -19.811
flat angles P-C4'-P energy: -8.073
tors. eta vs tors. theta energy: -13.256
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -242.401252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.401252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.401252 (E_RNA)
where:
Base-Base interactions energy: -128.711
where: short stacking energy: -59.004
Base-Backbone interact. energy: 1.664
local terms energy: -79.354233
where:
bonds (distance) C4'-P energy: -20.841
bonds (distance) P-C4' energy: -19.772
flat angles C4'-P-C4' energy: -22.267
flat angles P-C4'-P energy: -11.685
tors. eta vs tors. theta energy: -4.788
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -416.306042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.306042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.906042 (E_RNA)
where:
Base-Base interactions energy: -246.261
where: short stacking energy: -104.183
Base-Backbone interact. energy: -0.104
local terms energy: -119.541402
where:
bonds (distance) C4'-P energy: -27.641
bonds (distance) P-C4' energy: -24.698
flat angles C4'-P-C4' energy: -26.390
flat angles P-C4'-P energy: -12.963
tors. eta vs tors. theta energy: -27.850
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -409.595544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.595544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.195544 (E_RNA)
where:
Base-Base interactions energy: -250.179
where: short stacking energy: -99.078
Base-Backbone interact. energy: -0.516
local terms energy: -108.501126
where:
bonds (distance) C4'-P energy: -17.196
bonds (distance) P-C4' energy: -22.087
flat angles C4'-P-C4' energy: -23.488
flat angles P-C4'-P energy: -14.753
tors. eta vs tors. theta energy: -30.978
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -401.163206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.163206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.763206 (E_RNA)
where:
Base-Base interactions energy: -246.784
where: short stacking energy: -99.813
Base-Backbone interact. energy: -0.427
local terms energy: -103.552404
where:
bonds (distance) C4'-P energy: -20.827
bonds (distance) P-C4' energy: -25.288
flat angles C4'-P-C4' energy: -18.518
flat angles P-C4'-P energy: -10.793
tors. eta vs tors. theta energy: -28.126
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -387.834082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.834082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.434082 (E_RNA)
where:
Base-Base interactions energy: -233.722
where: short stacking energy: -96.607
Base-Backbone interact. energy: -0.378
local terms energy: -103.333943
where:
bonds (distance) C4'-P energy: -18.443
bonds (distance) P-C4' energy: -17.874
flat angles C4'-P-C4' energy: -23.112
flat angles P-C4'-P energy: -18.692
tors. eta vs tors. theta energy: -25.213
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -357.030279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.030279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.230279 (E_RNA)
where:
Base-Base interactions energy: -208.152
where: short stacking energy: -90.836
Base-Backbone interact. energy: -0.159
local terms energy: -101.919329
where:
bonds (distance) C4'-P energy: -21.590
bonds (distance) P-C4' energy: -20.640
flat angles C4'-P-C4' energy: -20.532
flat angles P-C4'-P energy: -15.686
tors. eta vs tors. theta energy: -23.472
Dist. restrs. and SS energy: -46.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -280.286000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.286000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.286000 (E_RNA)
where:
Base-Base interactions energy: -159.722
where: short stacking energy: -72.195
Base-Backbone interact. energy: 0.632
local terms energy: -85.196232
where:
bonds (distance) C4'-P energy: -14.688
bonds (distance) P-C4' energy: -18.777
flat angles C4'-P-C4' energy: -22.056
flat angles P-C4'-P energy: -10.218
tors. eta vs tors. theta energy: -19.458
Dist. restrs. and SS energy: -36.000 (S_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: 312
Temperature: 1.200000
Total energy: -284.254285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.254285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.254285 (E_RNA)
where:
Base-Base interactions energy: -153.825
where: short stacking energy: -67.780
Base-Backbone interact. energy: -0.888
local terms energy: -93.541497
where:
bonds (distance) C4'-P energy: -21.519
bonds (distance) P-C4' energy: -22.324
flat angles C4'-P-C4' energy: -21.600
flat angles P-C4'-P energy: -16.367
tors. eta vs tors. theta energy: -11.731
Dist. restrs. and SS energy: -36.000 (S_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: -271.756150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.756150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.756150 (E_RNA)
where:
Base-Base interactions energy: -152.809
where: short stacking energy: -64.099
Base-Backbone interact. energy: -0.367
local terms energy: -82.580317
where:
bonds (distance) C4'-P energy: -21.237
bonds (distance) P-C4' energy: -18.969
flat angles C4'-P-C4' energy: -19.953
flat angles P-C4'-P energy: -12.145
tors. eta vs tors. theta energy: -10.276
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -252.236471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.236471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.036471 (E_RNA)
where:
Base-Base interactions energy: -134.751
where: short stacking energy: -66.053
Base-Backbone interact. energy: -0.213
local terms energy: -83.072173
where:
bonds (distance) C4'-P energy: -17.738
bonds (distance) P-C4' energy: -20.953
flat angles C4'-P-C4' energy: -17.465
flat angles P-C4'-P energy: -11.029
tors. eta vs tors. theta energy: -15.887
Dist. restrs. and SS energy: -34.200 (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: 2
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -244.096468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.096468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.096468 (E_RNA)
where:
Base-Base interactions energy: -129.585
where: short stacking energy: -50.209
Base-Backbone interact. energy: -0.217
local terms energy: -78.294736
where:
bonds (distance) C4'-P energy: -16.496
bonds (distance) P-C4' energy: -20.496
flat angles C4'-P-C4' energy: -17.141
flat angles P-C4'-P energy: -16.424
tors. eta vs tors. theta energy: -7.739
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -416.021809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.021809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.421809 (E_RNA)
where:
Base-Base interactions energy: -254.312
where: short stacking energy: -110.287
Base-Backbone interact. energy: -0.400
local terms energy: -112.709917
where:
bonds (distance) C4'-P energy: -17.992
bonds (distance) P-C4' energy: -24.208
flat angles C4'-P-C4' energy: -23.389
flat angles P-C4'-P energy: -16.525
tors. eta vs tors. theta energy: -30.597
Dist. restrs. and SS energy: -48.600 (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: 1
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -415.263171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.263171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.863171 (E_RNA)
where:
Base-Base interactions energy: -248.826
where: short stacking energy: -102.731
Base-Backbone interact. energy: -0.795
local terms energy: -115.241649
where:
bonds (distance) C4'-P energy: -21.088
bonds (distance) P-C4' energy: -25.180
flat angles C4'-P-C4' energy: -23.074
flat angles P-C4'-P energy: -15.890
tors. eta vs tors. theta energy: -30.011
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -397.505647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.505647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.105647 (E_RNA)
where:
Base-Base interactions energy: -243.292
where: short stacking energy: -90.113
Base-Backbone interact. energy: -0.769
local terms energy: -103.044741
where:
bonds (distance) C4'-P energy: -17.411
bonds (distance) P-C4' energy: -23.432
flat angles C4'-P-C4' energy: -19.369
flat angles P-C4'-P energy: -13.394
tors. eta vs tors. theta energy: -29.439
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -387.310515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.310515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.510515 (E_RNA)
where:
Base-Base interactions energy: -227.601
where: short stacking energy: -96.305
Base-Backbone interact. energy: -0.371
local terms energy: -112.538108
where:
bonds (distance) C4'-P energy: -19.424
bonds (distance) P-C4' energy: -24.256
flat angles C4'-P-C4' energy: -24.459
flat angles P-C4'-P energy: -17.935
tors. eta vs tors. theta energy: -26.465
Dist. restrs. and SS energy: -46.800 (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: 7
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -362.390628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.390628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.990628 (E_RNA)
where:
Base-Base interactions energy: -219.806
where: short stacking energy: -80.180
Base-Backbone interact. energy: -1.246
local terms energy: -90.938575
where:
bonds (distance) C4'-P energy: -16.306
bonds (distance) P-C4' energy: -20.177
flat angles C4'-P-C4' energy: -23.400
flat angles P-C4'-P energy: -13.538
tors. eta vs tors. theta energy: -17.517
Dist. restrs. and SS energy: -50.400 (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: 6
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -286.721904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.721904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.721904 (E_RNA)
where:
Base-Base interactions energy: -158.808
where: short stacking energy: -76.002
Base-Backbone interact. energy: -0.152
local terms energy: -91.761669
where:
bonds (distance) C4'-P energy: -20.028
bonds (distance) P-C4' energy: -18.308
flat angles C4'-P-C4' energy: -20.607
flat angles P-C4'-P energy: -14.215
tors. eta vs tors. theta energy: -18.604
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -295.422237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.422237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.422237 (E_RNA)
where:
Base-Base interactions energy: -172.487
where: short stacking energy: -76.354
Base-Backbone interact. energy: -1.468
local terms energy: -85.466779
where:
bonds (distance) C4'-P energy: -22.625
bonds (distance) P-C4' energy: -13.327
flat angles C4'-P-C4' energy: -22.999
flat angles P-C4'-P energy: -14.868
tors. eta vs tors. theta energy: -11.648
Dist. restrs. and SS energy: -36.000 (S_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: -280.371372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.371372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.171372 (E_RNA)
where:
Base-Base interactions energy: -160.580
where: short stacking energy: -72.608
Base-Backbone interact. energy: -0.197
local terms energy: -85.394394
where:
bonds (distance) C4'-P energy: -13.663
bonds (distance) P-C4' energy: -23.603
flat angles C4'-P-C4' energy: -22.114
flat angles P-C4'-P energy: -9.997
tors. eta vs tors. theta energy: -16.017
Dist. restrs. and SS energy: -34.200 (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: 9
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -267.457491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.457491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.457491 (E_RNA)
where:
Base-Base interactions energy: -154.033
where: short stacking energy: -66.100
Base-Backbone interact. energy: -0.056
local terms energy: -77.368674
where:
bonds (distance) C4'-P energy: -17.063
bonds (distance) P-C4' energy: -19.325
flat angles C4'-P-C4' energy: -14.104
flat angles P-C4'-P energy: -13.447
tors. eta vs tors. theta energy: -13.430
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -244.195140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.195140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.195140 (E_RNA)
where:
Base-Base interactions energy: -129.028
where: short stacking energy: -59.170
Base-Backbone interact. energy: -1.037
local terms energy: -78.130507
where:
bonds (distance) C4'-P energy: -17.084
bonds (distance) P-C4' energy: -15.335
flat angles C4'-P-C4' energy: -20.954
flat angles P-C4'-P energy: -11.084
tors. eta vs tors. theta energy: -13.674
Dist. restrs. and SS energy: -36.000 (S_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: 314
Temperature: 0.900000
Total energy: -421.874557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.874557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.474557 (E_RNA)
where:
Base-Base interactions energy: -249.402
where: short stacking energy: -98.538
Base-Backbone interact. energy: -1.474
local terms energy: -120.598511
where:
bonds (distance) C4'-P energy: -25.224
bonds (distance) P-C4' energy: -23.922
flat angles C4'-P-C4' energy: -25.564
flat angles P-C4'-P energy: -14.215
tors. eta vs tors. theta energy: -31.672
Dist. restrs. and SS energy: -50.400 (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: 8
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -416.714921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.714921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.314921 (E_RNA)
where:
Base-Base interactions energy: -249.959
where: short stacking energy: -103.290
Base-Backbone interact. energy: 2.162
local terms energy: -118.517241
where:
bonds (distance) C4'-P energy: -22.533
bonds (distance) P-C4' energy: -24.190
flat angles C4'-P-C4' energy: -25.844
flat angles P-C4'-P energy: -20.281
tors. eta vs tors. theta energy: -25.669
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -398.921766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.921766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.321766 (E_RNA)
where:
Base-Base interactions energy: -247.013
where: short stacking energy: -83.352
Base-Backbone interact. energy: -1.000
local terms energy: -102.308714
where:
bonds (distance) C4'-P energy: -18.609
bonds (distance) P-C4' energy: -21.462
flat angles C4'-P-C4' energy: -20.586
flat angles P-C4'-P energy: -18.275
tors. eta vs tors. theta energy: -23.377
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -389.333928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.333928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.733928 (E_RNA)
where:
Base-Base interactions energy: -242.957
where: short stacking energy: -83.687
Base-Backbone interact. energy: -0.468
local terms energy: -97.308489
where:
bonds (distance) C4'-P energy: -17.544
bonds (distance) P-C4' energy: -19.559
flat angles C4'-P-C4' energy: -19.742
flat angles P-C4'-P energy: -13.059
tors. eta vs tors. theta energy: -27.405
Dist. restrs. and SS energy: -48.600 (S_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: 314
Temperature: 1.100000
Total energy: -363.340888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.340888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.940888 (E_RNA)
where:
Base-Base interactions energy: -203.771
where: short stacking energy: -86.081
Base-Backbone interact. energy: -0.884
local terms energy: -108.285168
where:
bonds (distance) C4'-P energy: -21.117
bonds (distance) P-C4' energy: -27.343
flat angles C4'-P-C4' energy: -24.181
flat angles P-C4'-P energy: -14.912
tors. eta vs tors. theta energy: -20.731
Dist. restrs. and SS energy: -50.400 (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: 6
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -296.998599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.998599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.798599 (E_RNA)
where:
Base-Base interactions energy: -164.271
where: short stacking energy: -75.531
Base-Backbone interact. energy: 0.181
local terms energy: -98.708935
where:
bonds (distance) C4'-P energy: -15.982
bonds (distance) P-C4' energy: -24.141
flat angles C4'-P-C4' energy: -21.699
flat angles P-C4'-P energy: -18.060
tors. eta vs tors. theta energy: -18.827
Dist. restrs. and SS energy: -34.200 (S_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: -277.410559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.410559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.210559 (E_RNA)
where:
Base-Base interactions energy: -153.825
where: short stacking energy: -75.921
Base-Backbone interact. energy: -0.280
local terms energy: -89.105406
where:
bonds (distance) C4'-P energy: -24.260
bonds (distance) P-C4' energy: -19.213
flat angles C4'-P-C4' energy: -15.551
flat angles P-C4'-P energy: -12.803
tors. eta vs tors. theta energy: -17.278
Dist. restrs. and SS energy: -34.200 (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: 314
Temperature: 1.250000
Total energy: -305.660317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.660317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.660317 (E_RNA)
where:
Base-Base interactions energy: -183.350
where: short stacking energy: -74.499
Base-Backbone interact. energy: 0.164
local terms energy: -86.473750
where:
bonds (distance) C4'-P energy: -14.625
bonds (distance) P-C4' energy: -17.883
flat angles C4'-P-C4' energy: -24.228
flat angles P-C4'-P energy: -12.874
tors. eta vs tors. theta energy: -16.864
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -251.620850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.620850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.420850 (E_RNA)
where:
Base-Base interactions energy: -138.600
where: short stacking energy: -67.116
Base-Backbone interact. energy: -1.297
local terms energy: -77.523749
where:
bonds (distance) C4'-P energy: -19.596
bonds (distance) P-C4' energy: -14.048
flat angles C4'-P-C4' energy: -18.117
flat angles P-C4'-P energy: -16.029
tors. eta vs tors. theta energy: -9.733
Dist. restrs. and SS energy: -34.200 (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: 9
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -247.409692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.409692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.209692 (E_RNA)
where:
Base-Base interactions energy: -140.487
where: short stacking energy: -62.668
Base-Backbone interact. energy: -0.169
local terms energy: -72.554141
where:
bonds (distance) C4'-P energy: -21.613
bonds (distance) P-C4' energy: -18.143
flat angles C4'-P-C4' energy: -12.438
flat angles P-C4'-P energy: -11.390
tors. eta vs tors. theta energy: -8.970
Dist. restrs. and SS energy: -34.200 (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: 315
Temperature: 0.900000
Total energy: -417.571517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.571517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.171517 (E_RNA)
where:
Base-Base interactions energy: -254.501
where: short stacking energy: -97.509
Base-Backbone interact. energy: -0.611
local terms energy: -112.059076
where:
bonds (distance) C4'-P energy: -24.949
bonds (distance) P-C4' energy: -20.669
flat angles C4'-P-C4' energy: -20.710
flat angles P-C4'-P energy: -15.975
tors. eta vs tors. theta energy: -29.757
Dist. restrs. and SS energy: -50.400 (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: 8
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -414.528501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.528501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.128501 (E_RNA)
where:
Base-Base interactions energy: -251.997
where: short stacking energy: -98.683
Base-Backbone interact. energy: -0.524
local terms energy: -111.607730
where:
bonds (distance) C4'-P energy: -25.215
bonds (distance) P-C4' energy: -21.701
flat angles C4'-P-C4' energy: -20.211
flat angles P-C4'-P energy: -18.130
tors. eta vs tors. theta energy: -26.351
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -400.366900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.366900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.966900 (E_RNA)
where:
Base-Base interactions energy: -240.881
where: short stacking energy: -95.932
Base-Backbone interact. energy: -0.782
local terms energy: -108.304295
where:
bonds (distance) C4'-P energy: -20.329
bonds (distance) P-C4' energy: -18.739
flat angles C4'-P-C4' energy: -22.274
flat angles P-C4'-P energy: -18.541
tors. eta vs tors. theta energy: -28.421
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -389.133127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.133127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.733127 (E_RNA)
where:
Base-Base interactions energy: -238.724
where: short stacking energy: -91.459
Base-Backbone interact. energy: -0.870
local terms energy: -99.138513
where:
bonds (distance) C4'-P energy: -20.896
bonds (distance) P-C4' energy: -16.081
flat angles C4'-P-C4' energy: -24.556
flat angles P-C4'-P energy: -16.020
tors. eta vs tors. theta energy: -21.585
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -353.988384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.988384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.388384 (E_RNA)
where:
Base-Base interactions energy: -197.081
where: short stacking energy: -75.213
Base-Backbone interact. energy: -1.052
local terms energy: -107.254751
where:
bonds (distance) C4'-P energy: -21.428
bonds (distance) P-C4' energy: -25.751
flat angles C4'-P-C4' energy: -22.326
flat angles P-C4'-P energy: -15.345
tors. eta vs tors. theta energy: -22.405
Dist. restrs. and SS energy: -48.600 (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: 3
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -299.418471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.418471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.418471 (E_RNA)
where:
Base-Base interactions energy: -160.518
where: short stacking energy: -73.569
Base-Backbone interact. energy: -0.129
local terms energy: -102.772172
where:
bonds (distance) C4'-P energy: -22.893
bonds (distance) P-C4' energy: -21.947
flat angles C4'-P-C4' energy: -23.351
flat angles P-C4'-P energy: -14.750
tors. eta vs tors. theta energy: -19.831
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -288.020626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.020626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.620626 (E_RNA)
where:
Base-Base interactions energy: -153.824
where: short stacking energy: -82.771
Base-Backbone interact. energy: -0.093
local terms energy: -101.703272
where:
bonds (distance) C4'-P energy: -21.701
bonds (distance) P-C4' energy: -25.673
flat angles C4'-P-C4' energy: -24.103
flat angles P-C4'-P energy: -10.404
tors. eta vs tors. theta energy: -19.823
Dist. restrs. and SS energy: -32.400 (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: 2
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -269.184948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.184948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.984948 (E_RNA)
where:
Base-Base interactions energy: -150.196
where: short stacking energy: -74.843
Base-Backbone interact. energy: -0.696
local terms energy: -84.092155
where:
bonds (distance) C4'-P energy: -15.947
bonds (distance) P-C4' energy: -18.348
flat angles C4'-P-C4' energy: -23.168
flat angles P-C4'-P energy: -10.580
tors. eta vs tors. theta energy: -16.050
Dist. restrs. and SS energy: -34.200 (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: 4
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -252.618225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.618225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.618225 (E_RNA)
where:
Base-Base interactions energy: -137.113
where: short stacking energy: -57.850
Base-Backbone interact. energy: -0.323
local terms energy: -79.181768
where:
bonds (distance) C4'-P energy: -15.280
bonds (distance) P-C4' energy: -20.310
flat angles C4'-P-C4' energy: -17.577
flat angles P-C4'-P energy: -11.816
tors. eta vs tors. theta energy: -14.199
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -255.189889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.189889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.189889 (E_RNA)
where:
Base-Base interactions energy: -138.281
where: short stacking energy: -57.487
Base-Backbone interact. energy: -0.642
local terms energy: -80.266370
where:
bonds (distance) C4'-P energy: -20.830
bonds (distance) P-C4' energy: -26.141
flat angles C4'-P-C4' energy: -13.397
flat angles P-C4'-P energy: -7.774
tors. eta vs tors. theta energy: -12.124
Dist. restrs. and SS energy: -36.000 (S_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: -418.006703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.006703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.406703 (E_RNA)
where:
Base-Base interactions energy: -250.070
where: short stacking energy: -101.037
Base-Backbone interact. energy: -1.576
local terms energy: -117.760566
where:
bonds (distance) C4'-P energy: -23.973
bonds (distance) P-C4' energy: -23.660
flat angles C4'-P-C4' energy: -22.204
flat angles P-C4'-P energy: -16.400
tors. eta vs tors. theta energy: -31.524
Dist. restrs. and SS energy: -48.600 (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: 8
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -410.023287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.023287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.623287 (E_RNA)
where:
Base-Base interactions energy: -257.881
where: short stacking energy: -103.134
Base-Backbone interact. energy: 1.747
local terms energy: -103.489605
where:
bonds (distance) C4'-P energy: -14.805
bonds (distance) P-C4' energy: -20.757
flat angles C4'-P-C4' energy: -20.115
flat angles P-C4'-P energy: -19.128
tors. eta vs tors. theta energy: -28.684
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -402.876156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.876156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.476156 (E_RNA)
where:
Base-Base interactions energy: -250.411
where: short stacking energy: -87.541
Base-Backbone interact. energy: -0.941
local terms energy: -101.123989
where:
bonds (distance) C4'-P energy: -22.445
bonds (distance) P-C4' energy: -22.015
flat angles C4'-P-C4' energy: -17.003
flat angles P-C4'-P energy: -13.706
tors. eta vs tors. theta energy: -25.956
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -383.119100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.119100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.719100 (E_RNA)
where:
Base-Base interactions energy: -222.840
where: short stacking energy: -97.745
Base-Backbone interact. energy: -0.279
local terms energy: -109.599796
where:
bonds (distance) C4'-P energy: -22.769
bonds (distance) P-C4' energy: -21.462
flat angles C4'-P-C4' energy: -21.022
flat angles P-C4'-P energy: -19.267
tors. eta vs tors. theta energy: -25.079
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -366.709343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.709343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.309343 (E_RNA)
where:
Base-Base interactions energy: -217.683
where: short stacking energy: -86.250
Base-Backbone interact. energy: 5.629
local terms energy: -104.255482
where:
bonds (distance) C4'-P energy: -19.938
bonds (distance) P-C4' energy: -20.735
flat angles C4'-P-C4' energy: -23.402
flat angles P-C4'-P energy: -16.240
tors. eta vs tors. theta energy: -23.941
Dist. restrs. and SS energy: -50.400 (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: 3
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -288.288549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.288549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.288549 (E_RNA)
where:
Base-Base interactions energy: -154.946
where: short stacking energy: -86.046
Base-Backbone interact. energy: -0.280
local terms energy: -97.063082
where:
bonds (distance) C4'-P energy: -18.847
bonds (distance) P-C4' energy: -22.474
flat angles C4'-P-C4' energy: -20.833
flat angles P-C4'-P energy: -17.917
tors. eta vs tors. theta energy: -16.993
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -287.796730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.796730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.796730 (E_RNA)
where:
Base-Base interactions energy: -158.255
where: short stacking energy: -75.935
Base-Backbone interact. energy: -0.088
local terms energy: -93.453229
where:
bonds (distance) C4'-P energy: -18.846
bonds (distance) P-C4' energy: -19.930
flat angles C4'-P-C4' energy: -19.103
flat angles P-C4'-P energy: -18.599
tors. eta vs tors. theta energy: -16.976
Dist. restrs. and SS energy: -36.000 (S_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: 316
Temperature: 1.250000
Total energy: -259.089868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.089868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.889868 (E_RNA)
where:
Base-Base interactions energy: -150.387
where: short stacking energy: -60.536
Base-Backbone interact. energy: -0.669
local terms energy: -73.833713
where:
bonds (distance) C4'-P energy: -10.369
bonds (distance) P-C4' energy: -27.150
flat angles C4'-P-C4' energy: -17.290
flat angles P-C4'-P energy: -6.850
tors. eta vs tors. theta energy: -12.175
Dist. restrs. and SS energy: -34.200 (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: 9
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -279.729568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.729568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.529568 (E_RNA)
where:
Base-Base interactions energy: -148.477
where: short stacking energy: -63.827
Base-Backbone interact. energy: -0.274
local terms energy: -87.778070
where:
bonds (distance) C4'-P energy: -14.732
bonds (distance) P-C4' energy: -21.653
flat angles C4'-P-C4' energy: -22.834
flat angles P-C4'-P energy: -13.744
tors. eta vs tors. theta energy: -14.815
Dist. restrs. and SS energy: -43.200 (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: 4
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -248.032599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.032599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.432599 (E_RNA)
where:
Base-Base interactions energy: -125.154
where: short stacking energy: -57.896
Base-Backbone interact. energy: -0.109
local terms energy: -92.170263
where:
bonds (distance) C4'-P energy: -18.841
bonds (distance) P-C4' energy: -23.672
flat angles C4'-P-C4' energy: -21.152
flat angles P-C4'-P energy: -15.535
tors. eta vs tors. theta energy: -12.970
Dist. restrs. and SS energy: -30.600 (S_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: -404.217921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.217921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.817921 (E_RNA)
where:
Base-Base interactions energy: -234.103
where: short stacking energy: -96.251
Base-Backbone interact. energy: -1.947
local terms energy: -117.768139
where:
bonds (distance) C4'-P energy: -26.694
bonds (distance) P-C4' energy: -19.348
flat angles C4'-P-C4' energy: -23.340
flat angles P-C4'-P energy: -18.565
tors. eta vs tors. theta energy: -29.822
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -406.450482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.450482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.650482 (E_RNA)
where:
Base-Base interactions energy: -249.839
where: short stacking energy: -100.099
Base-Backbone interact. energy: 0.723
local terms energy: -110.533939
where:
bonds (distance) C4'-P energy: -19.429
bonds (distance) P-C4' energy: -23.323
flat angles C4'-P-C4' energy: -26.061
flat angles P-C4'-P energy: -16.734
tors. eta vs tors. theta energy: -24.988
Dist. restrs. and SS energy: -46.800 (S_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: -403.603927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.603927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.203927 (E_RNA)
where:
Base-Base interactions energy: -245.128
where: short stacking energy: -88.665
Base-Backbone interact. energy: -0.303
local terms energy: -107.772906
where:
bonds (distance) C4'-P energy: -21.037
bonds (distance) P-C4' energy: -22.919
flat angles C4'-P-C4' energy: -22.369
flat angles P-C4'-P energy: -17.459
tors. eta vs tors. theta energy: -23.988
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -374.439024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.439024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.039024 (E_RNA)
where:
Base-Base interactions energy: -232.006
where: short stacking energy: -83.200
Base-Backbone interact. energy: -0.592
local terms energy: -91.441040
where:
bonds (distance) C4'-P energy: -15.016
bonds (distance) P-C4' energy: -25.469
flat angles C4'-P-C4' energy: -20.949
flat angles P-C4'-P energy: -8.928
tors. eta vs tors. theta energy: -21.079
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -386.803206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.803206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.403206 (E_RNA)
where:
Base-Base interactions energy: -232.489
where: short stacking energy: -93.391
Base-Backbone interact. energy: -0.257
local terms energy: -103.657793
where:
bonds (distance) C4'-P energy: -15.789
bonds (distance) P-C4' energy: -19.362
flat angles C4'-P-C4' energy: -24.979
flat angles P-C4'-P energy: -16.223
tors. eta vs tors. theta energy: -27.304
Dist. restrs. and SS energy: -50.400 (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: 6
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -286.452771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.452771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.252771 (E_RNA)
where:
Base-Base interactions energy: -162.491
where: short stacking energy: -74.515
Base-Backbone interact. energy: -0.482
local terms energy: -89.278977
where:
bonds (distance) C4'-P energy: -22.551
bonds (distance) P-C4' energy: -23.714
flat angles C4'-P-C4' energy: -19.312
flat angles P-C4'-P energy: -10.425
tors. eta vs tors. theta energy: -13.278
Dist. restrs. and SS energy: -34.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -284.789235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.789235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.789235 (E_RNA)
where:
Base-Base interactions energy: -159.208
where: short stacking energy: -72.215
Base-Backbone interact. energy: -0.063
local terms energy: -89.518283
where:
bonds (distance) C4'-P energy: -19.077
bonds (distance) P-C4' energy: -15.257
flat angles C4'-P-C4' energy: -21.793
flat angles P-C4'-P energy: -19.543
tors. eta vs tors. theta energy: -13.849
Dist. restrs. and SS energy: -36.000 (S_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: 317
Temperature: 1.250000
Total energy: -279.788502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.788502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.588502 (E_RNA)
where:
Base-Base interactions energy: -157.073
where: short stacking energy: -61.919
Base-Backbone interact. energy: -0.052
local terms energy: -88.463249
where:
bonds (distance) C4'-P energy: -22.297
bonds (distance) P-C4' energy: -24.644
flat angles C4'-P-C4' energy: -21.055
flat angles P-C4'-P energy: -8.181
tors. eta vs tors. theta energy: -12.287
Dist. restrs. and SS energy: -34.200 (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: 9
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -269.941063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.941063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.741063 (E_RNA)
where:
Base-Base interactions energy: -151.359
where: short stacking energy: -65.496
Base-Backbone interact. energy: -0.314
local terms energy: -84.068430
where:
bonds (distance) C4'-P energy: -11.897
bonds (distance) P-C4' energy: -21.534
flat angles C4'-P-C4' energy: -20.296
flat angles P-C4'-P energy: -16.639
tors. eta vs tors. theta energy: -13.704
Dist. restrs. and SS energy: -34.200 (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: 4
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -253.021690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.021690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.621690 (E_RNA)
where:
Base-Base interactions energy: -137.866
where: short stacking energy: -52.816
Base-Backbone interact. energy: -0.237
local terms energy: -82.518544
where:
bonds (distance) C4'-P energy: -16.436
bonds (distance) P-C4' energy: -20.615
flat angles C4'-P-C4' energy: -16.160
flat angles P-C4'-P energy: -11.033
tors. eta vs tors. theta energy: -18.275
Dist. restrs. and SS energy: -32.400 (S_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: 318
Temperature: 0.900000
Total energy: -417.174983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.174983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.574983 (E_RNA)
where:
Base-Base interactions energy: -260.848
where: short stacking energy: -95.667
Base-Backbone interact. energy: 0.169
local terms energy: -107.896243
where:
bonds (distance) C4'-P energy: -23.385
bonds (distance) P-C4' energy: -24.317
flat angles C4'-P-C4' energy: -23.447
flat angles P-C4'-P energy: -13.456
tors. eta vs tors. theta energy: -23.291
Dist. restrs. and SS energy: -48.600 (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: 1
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -406.671034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.671034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.071034 (E_RNA)
where:
Base-Base interactions energy: -242.464
where: short stacking energy: -87.401
Base-Backbone interact. energy: -3.540
local terms energy: -112.066969
where:
bonds (distance) C4'-P energy: -23.464
bonds (distance) P-C4' energy: -20.069
flat angles C4'-P-C4' energy: -25.622
flat angles P-C4'-P energy: -12.583
tors. eta vs tors. theta energy: -30.329
Dist. restrs. and SS energy: -48.600 (S_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: 318
Temperature: 1.000000
Total energy: -402.171626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.171626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.771626 (E_RNA)
where:
Base-Base interactions energy: -244.840
where: short stacking energy: -94.549
Base-Backbone interact. energy: -1.116
local terms energy: -105.815437
where:
bonds (distance) C4'-P energy: -21.075
bonds (distance) P-C4' energy: -20.285
flat angles C4'-P-C4' energy: -19.304
flat angles P-C4'-P energy: -17.069
tors. eta vs tors. theta energy: -28.083
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -390.155381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.155381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.555381 (E_RNA)
where:
Base-Base interactions energy: -241.454
where: short stacking energy: -100.283
Base-Backbone interact. energy: 2.234
local terms energy: -102.334683
where:
bonds (distance) C4'-P energy: -17.809
bonds (distance) P-C4' energy: -23.347
flat angles C4'-P-C4' energy: -20.142
flat angles P-C4'-P energy: -13.322
tors. eta vs tors. theta energy: -27.715
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -395.165681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.165681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.365681 (E_RNA)
where:
Base-Base interactions energy: -240.356
where: short stacking energy: -96.092
Base-Backbone interact. energy: 1.082
local terms energy: -109.092349
where:
bonds (distance) C4'-P energy: -23.472
bonds (distance) P-C4' energy: -23.266
flat angles C4'-P-C4' energy: -22.280
flat angles P-C4'-P energy: -11.767
tors. eta vs tors. theta energy: -28.308
Dist. restrs. and SS energy: -46.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -288.120334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.120334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.120334 (E_RNA)
where:
Base-Base interactions energy: -173.434
where: short stacking energy: -69.300
Base-Backbone interact. energy: -0.667
local terms energy: -78.019245
where:
bonds (distance) C4'-P energy: -19.766
bonds (distance) P-C4' energy: -15.411
flat angles C4'-P-C4' energy: -17.782
flat angles P-C4'-P energy: -11.242
tors. eta vs tors. theta energy: -13.818
Dist. restrs. and SS energy: -36.000 (S_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: 318
Temperature: 1.200000
Total energy: -300.061889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.061889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.061889 (E_RNA)
where:
Base-Base interactions energy: -175.347
where: short stacking energy: -77.913
Base-Backbone interact. energy: -0.192
local terms energy: -88.522787
where:
bonds (distance) C4'-P energy: -17.698
bonds (distance) P-C4' energy: -22.450
flat angles C4'-P-C4' energy: -20.114
flat angles P-C4'-P energy: -9.608
tors. eta vs tors. theta energy: -18.654
Dist. restrs. and SS energy: -36.000 (S_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: 318
Temperature: 1.250000
Total energy: -278.260575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.260575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.260575 (E_RNA)
where:
Base-Base interactions energy: -157.185
where: short stacking energy: -72.332
Base-Backbone interact. energy: 0.303
local terms energy: -85.379486
where:
bonds (distance) C4'-P energy: -13.360
bonds (distance) P-C4' energy: -20.208
flat angles C4'-P-C4' energy: -22.835
flat angles P-C4'-P energy: -16.676
tors. eta vs tors. theta energy: -12.300
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -258.013259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.013259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.013259 (E_RNA)
where:
Base-Base interactions energy: -143.921
where: short stacking energy: -54.960
Base-Backbone interact. energy: -0.373
local terms energy: -77.718750
where:
bonds (distance) C4'-P energy: -21.562
bonds (distance) P-C4' energy: -19.662
flat angles C4'-P-C4' energy: -15.586
flat angles P-C4'-P energy: -11.659
tors. eta vs tors. theta energy: -9.250
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -264.049745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.049745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.049745 (E_RNA)
where:
Base-Base interactions energy: -149.168
where: short stacking energy: -59.508
Base-Backbone interact. energy: -0.049
local terms energy: -78.832047
where:
bonds (distance) C4'-P energy: -25.787
bonds (distance) P-C4' energy: -16.809
flat angles C4'-P-C4' energy: -17.445
flat angles P-C4'-P energy: -7.753
tors. eta vs tors. theta energy: -11.038
Dist. restrs. and SS energy: -36.000 (S_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: 319
Temperature: 0.900000
Total energy: -407.356563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.356563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.956563 (E_RNA)
where:
Base-Base interactions energy: -234.977
where: short stacking energy: -97.693
Base-Backbone interact. energy: -1.019
local terms energy: -120.960743
where:
bonds (distance) C4'-P energy: -22.087
bonds (distance) P-C4' energy: -24.828
flat angles C4'-P-C4' energy: -26.595
flat angles P-C4'-P energy: -17.602
tors. eta vs tors. theta energy: -29.848
Dist. restrs. and SS energy: -50.400 (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: 8
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -402.373807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.373807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.773807 (E_RNA)
where:
Base-Base interactions energy: -242.767
where: short stacking energy: -96.893
Base-Backbone interact. energy: -1.149
local terms energy: -109.857718
where:
bonds (distance) C4'-P energy: -24.041
bonds (distance) P-C4' energy: -21.105
flat angles C4'-P-C4' energy: -23.112
flat angles P-C4'-P energy: -12.822
tors. eta vs tors. theta energy: -28.777
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. 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: -397.990070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.990070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.590070 (E_RNA)
where:
Base-Base interactions energy: -238.587
where: short stacking energy: -104.575
Base-Backbone interact. energy: 0.591
local terms energy: -109.594012
where:
bonds (distance) C4'-P energy: -17.469
bonds (distance) P-C4' energy: -19.452
flat angles C4'-P-C4' energy: -21.298
flat angles P-C4'-P energy: -18.373
tors. eta vs tors. theta energy: -33.002
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -396.375580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.375580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.575580 (E_RNA)
where:
Base-Base interactions energy: -242.250
where: short stacking energy: -99.266
Base-Backbone interact. energy: -1.001
local terms energy: -106.324262
where:
bonds (distance) C4'-P energy: -18.873
bonds (distance) P-C4' energy: -24.060
flat angles C4'-P-C4' energy: -21.416
flat angles P-C4'-P energy: -15.254
tors. eta vs tors. theta energy: -26.721
Dist. restrs. and SS energy: -46.800 (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: 7
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -373.076936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.076936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.676936 (E_RNA)
where:
Base-Base interactions energy: -217.097
where: short stacking energy: -85.739
Base-Backbone interact. energy: -0.368
local terms energy: -105.212763
where:
bonds (distance) C4'-P energy: -22.040
bonds (distance) P-C4' energy: -22.539
flat angles C4'-P-C4' energy: -19.797
flat angles P-C4'-P energy: -14.656
tors. eta vs tors. theta energy: -26.181
Dist. restrs. and SS energy: -50.400 (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: 3
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -298.239042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.239042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.039042 (E_RNA)
where:
Base-Base interactions energy: -172.447
where: short stacking energy: -89.687
Base-Backbone interact. energy: -0.194
local terms energy: -91.397551
where:
bonds (distance) C4'-P energy: -18.831
bonds (distance) P-C4' energy: -16.393
flat angles C4'-P-C4' energy: -19.333
flat angles P-C4'-P energy: -13.805
tors. eta vs tors. theta energy: -23.036
Dist. restrs. and SS energy: -34.200 (S_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: 319
Temperature: 1.200000
Total energy: -276.162305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.162305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.162305 (E_RNA)
where:
Base-Base interactions energy: -145.730
where: short stacking energy: -64.525
Base-Backbone interact. energy: -0.231
local terms energy: -94.202069
where:
bonds (distance) C4'-P energy: -20.679
bonds (distance) P-C4' energy: -24.814
flat angles C4'-P-C4' energy: -17.011
flat angles P-C4'-P energy: -17.998
tors. eta vs tors. theta energy: -13.700
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -256.186344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.186344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.186344 (E_RNA)
where:
Base-Base interactions energy: -125.537
where: short stacking energy: -57.470
Base-Backbone interact. energy: -1.011
local terms energy: -93.638337
where:
bonds (distance) C4'-P energy: -24.317
bonds (distance) P-C4' energy: -20.794
flat angles C4'-P-C4' energy: -25.165
flat angles P-C4'-P energy: -13.142
tors. eta vs tors. theta energy: -10.220
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -254.571172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.571172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.571172 (E_RNA)
where:
Base-Base interactions energy: -136.485
where: short stacking energy: -65.208
Base-Backbone interact. energy: 1.335
local terms energy: -83.420878
where:
bonds (distance) C4'-P energy: -19.202
bonds (distance) P-C4' energy: -19.593
flat angles C4'-P-C4' energy: -19.360
flat angles P-C4'-P energy: -13.156
tors. eta vs tors. theta energy: -12.110
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -253.564390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.564390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.564390 (E_RNA)
where:
Base-Base interactions energy: -136.323
where: short stacking energy: -66.075
Base-Backbone interact. energy: -0.241
local terms energy: -80.999820
where:
bonds (distance) C4'-P energy: -21.311
bonds (distance) P-C4' energy: -19.047
flat angles C4'-P-C4' energy: -20.111
flat angles P-C4'-P energy: -7.413
tors. eta vs tors. theta energy: -13.118
Dist. restrs. and SS energy: -36.000 (S_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: 320
Temperature: 0.900000
Total energy: -413.351878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.351878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.951878 (E_RNA)
where:
Base-Base interactions energy: -247.463
where: short stacking energy: -92.842
Base-Backbone interact. energy: -1.633
local terms energy: -113.855637
where:
bonds (distance) C4'-P energy: -26.848
bonds (distance) P-C4' energy: -22.912
flat angles C4'-P-C4' energy: -22.048
flat angles P-C4'-P energy: -15.850
tors. eta vs tors. theta energy: -26.199
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -401.753183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.753183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.353183 (E_RNA)
where:
Base-Base interactions energy: -239.867
where: short stacking energy: -88.306
Base-Backbone interact. energy: -0.749
local terms energy: -110.737466
where:
bonds (distance) C4'-P energy: -20.853
bonds (distance) P-C4' energy: -21.842
flat angles C4'-P-C4' energy: -25.213
flat angles P-C4'-P energy: -15.926
tors. eta vs tors. theta energy: -26.903
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -412.312338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.312338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.712338 (E_RNA)
where:
Base-Base interactions energy: -252.901
where: short stacking energy: -100.933
Base-Backbone interact. energy: -0.657
local terms energy: -110.154531
where:
bonds (distance) C4'-P energy: -19.387
bonds (distance) P-C4' energy: -19.051
flat angles C4'-P-C4' energy: -24.225
flat angles P-C4'-P energy: -14.721
tors. eta vs tors. theta energy: -32.771
Dist. restrs. and SS energy: -48.600 (S_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: 320
Temperature: 1.050000
Total energy: -395.383790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.383790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.383790 (E_RNA)
where:
Base-Base interactions energy: -247.377
where: short stacking energy: -90.568
Base-Backbone interact. energy: -1.082
local terms energy: -101.924605
where:
bonds (distance) C4'-P energy: -12.667
bonds (distance) P-C4' energy: -21.363
flat angles C4'-P-C4' energy: -24.015
flat angles P-C4'-P energy: -12.608
tors. eta vs tors. theta energy: -31.271
Dist. restrs. and SS energy: -45.000 (S_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: 320
Temperature: 1.100000
Total energy: -371.435523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.435523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.435523 (E_RNA)
where:
Base-Base interactions energy: -216.336
where: short stacking energy: -85.738
Base-Backbone interact. energy: -0.725
local terms energy: -109.374224
where:
bonds (distance) C4'-P energy: -20.265
bonds (distance) P-C4' energy: -24.978
flat angles C4'-P-C4' energy: -25.564
flat angles P-C4'-P energy: -14.765
tors. eta vs tors. theta energy: -23.802
Dist. restrs. and SS energy: -45.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -300.643275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.643275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.443275 (E_RNA)
where:
Base-Base interactions energy: -172.110
where: short stacking energy: -61.798
Base-Backbone interact. energy: -0.432
local terms energy: -93.901331
where:
bonds (distance) C4'-P energy: -21.767
bonds (distance) P-C4' energy: -25.611
flat angles C4'-P-C4' energy: -14.765
flat angles P-C4'-P energy: -17.635
tors. eta vs tors. theta energy: -14.125
Dist. restrs. and SS energy: -34.200 (S_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: 320
Temperature: 1.200000
Total energy: -281.789001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.789001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.589001 (E_RNA)
where:
Base-Base interactions energy: -162.292
where: short stacking energy: -74.071
Base-Backbone interact. energy: -0.120
local terms energy: -85.177064
where:
bonds (distance) C4'-P energy: -15.413
bonds (distance) P-C4' energy: -22.971
flat angles C4'-P-C4' energy: -19.260
flat angles P-C4'-P energy: -6.729
tors. eta vs tors. theta energy: -20.804
Dist. restrs. and SS energy: -34.200 (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: 320
Temperature: 1.250000
Total energy: -262.948431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.948431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.748431 (E_RNA)
where:
Base-Base interactions energy: -141.815
where: short stacking energy: -69.260
Base-Backbone interact. energy: -0.180
local terms energy: -86.752749
where:
bonds (distance) C4'-P energy: -17.957
bonds (distance) P-C4' energy: -24.222
flat angles C4'-P-C4' energy: -22.348
flat angles P-C4'-P energy: -7.639
tors. eta vs tors. theta energy: -14.586
Dist. restrs. and SS energy: -34.200 (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: 9
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -259.384228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.384228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.384228 (E_RNA)
where:
Base-Base interactions energy: -137.848
where: short stacking energy: -68.059
Base-Backbone interact. energy: -0.572
local terms energy: -84.963760
where:
bonds (distance) C4'-P energy: -18.706
bonds (distance) P-C4' energy: -20.397
flat angles C4'-P-C4' energy: -20.308
flat angles P-C4'-P energy: -12.328
tors. eta vs tors. theta energy: -13.225
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -236.758192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.758192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.758192 (E_RNA)
where:
Base-Base interactions energy: -121.516
where: short stacking energy: -48.338
Base-Backbone interact. energy: -0.439
local terms energy: -78.802857
where:
bonds (distance) C4'-P energy: -20.093
bonds (distance) P-C4' energy: -20.474
flat angles C4'-P-C4' energy: -18.419
flat angles P-C4'-P energy: -14.226
tors. eta vs tors. theta energy: -5.590
Dist. restrs. and SS energy: -36.000 (S_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: 321
Temperature: 0.900000
Total energy: -419.245320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.245320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.845320 (E_RNA)
where:
Base-Base interactions energy: -258.335
where: short stacking energy: -100.094
Base-Backbone interact. energy: -0.208
local terms energy: -110.302450
where:
bonds (distance) C4'-P energy: -22.377
bonds (distance) P-C4' energy: -23.042
flat angles C4'-P-C4' energy: -20.868
flat angles P-C4'-P energy: -15.301
tors. eta vs tors. theta energy: -28.713
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -410.506373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.506373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.106373 (E_RNA)
where:
Base-Base interactions energy: -249.359
where: short stacking energy: -95.742
Base-Backbone interact. energy: -1.686
local terms energy: -109.062203
where:
bonds (distance) C4'-P energy: -18.244
bonds (distance) P-C4' energy: -23.362
flat angles C4'-P-C4' energy: -21.365
flat angles P-C4'-P energy: -14.781
tors. eta vs tors. theta energy: -31.311
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -396.233945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.233945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.833945 (E_RNA)
where:
Base-Base interactions energy: -237.351
where: short stacking energy: -86.933
Base-Backbone interact. energy: -1.247
local terms energy: -107.236078
where:
bonds (distance) C4'-P energy: -25.523
bonds (distance) P-C4' energy: -20.299
flat angles C4'-P-C4' energy: -17.202
flat angles P-C4'-P energy: -15.365
tors. eta vs tors. theta energy: -28.847
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -394.509279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.509279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.109279 (E_RNA)
where:
Base-Base interactions energy: -241.988
where: short stacking energy: -92.097
Base-Backbone interact. energy: -1.760
local terms energy: -100.361689
where:
bonds (distance) C4'-P energy: -26.185
bonds (distance) P-C4' energy: -14.638
flat angles C4'-P-C4' energy: -18.220
flat angles P-C4'-P energy: -14.479
tors. eta vs tors. theta energy: -26.840
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -383.031300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.031300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.431300 (E_RNA)
where:
Base-Base interactions energy: -234.141
where: short stacking energy: -93.857
Base-Backbone interact. energy: -1.181
local terms energy: -99.109231
where:
bonds (distance) C4'-P energy: -17.689
bonds (distance) P-C4' energy: -18.928
flat angles C4'-P-C4' energy: -21.174
flat angles P-C4'-P energy: -13.151
tors. eta vs tors. theta energy: -28.166
Dist. restrs. and SS energy: -48.600 (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: 6
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -281.236554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.236554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.236554 (E_RNA)
where:
Base-Base interactions energy: -155.818
where: short stacking energy: -66.587
Base-Backbone interact. energy: -0.049
local terms energy: -89.370351
where:
bonds (distance) C4'-P energy: -18.727
bonds (distance) P-C4' energy: -21.426
flat angles C4'-P-C4' energy: -16.322
flat angles P-C4'-P energy: -17.528
tors. eta vs tors. theta energy: -15.368
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -333.357660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.357660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.357660 (E_RNA)
where:
Base-Base interactions energy: -193.417
where: short stacking energy: -105.133
Base-Backbone interact. energy: -0.978
local terms energy: -102.963454
where:
bonds (distance) C4'-P energy: -17.635
bonds (distance) P-C4' energy: -24.487
flat angles C4'-P-C4' energy: -22.443
flat angles P-C4'-P energy: -13.017
tors. eta vs tors. theta energy: -25.382
Dist. restrs. and SS energy: -36.000 (S_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: 321
Temperature: 1.250000
Total energy: -277.986297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.986297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.986297 (E_RNA)
where:
Base-Base interactions energy: -152.206
where: short stacking energy: -79.202
Base-Backbone interact. energy: -1.676
local terms energy: -88.103563
where:
bonds (distance) C4'-P energy: -17.486
bonds (distance) P-C4' energy: -16.716
flat angles C4'-P-C4' energy: -20.724
flat angles P-C4'-P energy: -14.995
tors. eta vs tors. theta energy: -18.184
Dist. restrs. and SS energy: -36.000 (S_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: 321
Temperature: 1.300000
Total energy: -259.768835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.768835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.768835 (E_RNA)
where:
Base-Base interactions energy: -144.698
where: short stacking energy: -73.902
Base-Backbone interact. energy: 0.521
local terms energy: -79.591389
where:
bonds (distance) C4'-P energy: -15.015
bonds (distance) P-C4' energy: -19.415
flat angles C4'-P-C4' energy: -18.328
flat angles P-C4'-P energy: -13.082
tors. eta vs tors. theta energy: -13.752
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -267.220866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.220866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.020866 (E_RNA)
where:
Base-Base interactions energy: -150.898
where: short stacking energy: -63.299
Base-Backbone interact. energy: -0.113
local terms energy: -82.009803
where:
bonds (distance) C4'-P energy: -18.968
bonds (distance) P-C4' energy: -24.151
flat angles C4'-P-C4' energy: -16.177
flat angles P-C4'-P energy: -8.523
tors. eta vs tors. theta energy: -14.191
Dist. restrs. and SS energy: -34.200 (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: 322
Temperature: 0.900000
Total energy: -421.690877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.690877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.290877 (E_RNA)
where:
Base-Base interactions energy: -252.801
where: short stacking energy: -91.520
Base-Backbone interact. energy: -3.083
local terms energy: -115.406235
where:
bonds (distance) C4'-P energy: -25.238
bonds (distance) P-C4' energy: -20.805
flat angles C4'-P-C4' energy: -24.327
flat angles P-C4'-P energy: -21.010
tors. eta vs tors. theta energy: -24.027
Dist. restrs. and SS energy: -50.400 (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: 8
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -409.011563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.011563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.411563 (E_RNA)
where:
Base-Base interactions energy: -259.825
where: short stacking energy: -106.035
Base-Backbone interact. energy: 3.022
local terms energy: -103.608639
where:
bonds (distance) C4'-P energy: -20.715
bonds (distance) P-C4' energy: -20.569
flat angles C4'-P-C4' energy: -17.025
flat angles P-C4'-P energy: -16.559
tors. eta vs tors. theta energy: -28.741
Dist. restrs. and SS energy: -48.600 (S_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: 322
Temperature: 1.000000
Total energy: -406.510019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.510019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.110019 (E_RNA)
where:
Base-Base interactions energy: -247.541
where: short stacking energy: -100.159
Base-Backbone interact. energy: -0.010
local terms energy: -108.559160
where:
bonds (distance) C4'-P energy: -21.336
bonds (distance) P-C4' energy: -24.888
flat angles C4'-P-C4' energy: -19.865
flat angles P-C4'-P energy: -13.493
tors. eta vs tors. theta energy: -28.977
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -402.594980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.594980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.194980 (E_RNA)
where:
Base-Base interactions energy: -237.979
where: short stacking energy: -92.304
Base-Backbone interact. energy: -1.200
local terms energy: -113.016040
where:
bonds (distance) C4'-P energy: -20.729
bonds (distance) P-C4' energy: -24.259
flat angles C4'-P-C4' energy: -21.619
flat angles P-C4'-P energy: -17.749
tors. eta vs tors. theta energy: -28.660
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -369.145368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.145368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.545368 (E_RNA)
where:
Base-Base interactions energy: -218.207
where: short stacking energy: -88.284
Base-Backbone interact. energy: 0.281
local terms energy: -102.619261
where:
bonds (distance) C4'-P energy: -15.136
bonds (distance) P-C4' energy: -22.315
flat angles C4'-P-C4' energy: -22.238
flat angles P-C4'-P energy: -17.188
tors. eta vs tors. theta energy: -25.743
Dist. restrs. and SS energy: -48.600 (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: 6
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -318.267598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.267598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.267598 (E_RNA)
where:
Base-Base interactions energy: -172.595
where: short stacking energy: -76.140
Base-Backbone interact. energy: -0.156
local terms energy: -109.517164
where:
bonds (distance) C4'-P energy: -24.806
bonds (distance) P-C4' energy: -24.962
flat angles C4'-P-C4' energy: -24.048
flat angles P-C4'-P energy: -16.405
tors. eta vs tors. theta energy: -19.296
Dist. restrs. and SS energy: -36.000 (S_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: 322
Temperature: 1.200000
Total energy: -319.212490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.212490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.212490 (E_RNA)
where:
Base-Base interactions energy: -186.329
where: short stacking energy: -83.037
Base-Backbone interact. energy: -0.322
local terms energy: -96.560821
where:
bonds (distance) C4'-P energy: -21.274
bonds (distance) P-C4' energy: -22.532
flat angles C4'-P-C4' energy: -16.644
flat angles P-C4'-P energy: -13.922
tors. eta vs tors. theta energy: -22.188
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -292.092779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.092779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.092779 (E_RNA)
where:
Base-Base interactions energy: -154.914
where: short stacking energy: -76.152
Base-Backbone interact. energy: 0.793
local terms energy: -101.971747
where:
bonds (distance) C4'-P energy: -22.967
bonds (distance) P-C4' energy: -21.842
flat angles C4'-P-C4' energy: -21.614
flat angles P-C4'-P energy: -14.019
tors. eta vs tors. theta energy: -21.529
Dist. restrs. and SS energy: -36.000 (S_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: 322
Temperature: 1.300000
Total energy: -253.154062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.154062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.954062 (E_RNA)
where:
Base-Base interactions energy: -137.517
where: short stacking energy: -58.140
Base-Backbone interact. energy: -0.763
local terms energy: -80.674300
where:
bonds (distance) C4'-P energy: -17.255
bonds (distance) P-C4' energy: -26.837
flat angles C4'-P-C4' energy: -22.681
flat angles P-C4'-P energy: -8.055
tors. eta vs tors. theta energy: -5.846
Dist. restrs. and SS energy: -34.200 (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: 2
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -247.908174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.908174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.908174 (E_RNA)
where:
Base-Base interactions energy: -135.243
where: short stacking energy: -58.991
Base-Backbone interact. energy: -0.141
local terms energy: -76.524892
where:
bonds (distance) C4'-P energy: -15.340
bonds (distance) P-C4' energy: -18.909
flat angles C4'-P-C4' energy: -18.069
flat angles P-C4'-P energy: -11.348
tors. eta vs tors. theta energy: -12.859
Dist. restrs. and SS energy: -36.000 (S_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: 323
Temperature: 0.900000
Total energy: -419.958681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.958681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.558681 (E_RNA)
where:
Base-Base interactions energy: -256.469
where: short stacking energy: -92.091
Base-Backbone interact. energy: -2.575
local terms energy: -110.514490
where:
bonds (distance) C4'-P energy: -21.002
bonds (distance) P-C4' energy: -25.468
flat angles C4'-P-C4' energy: -21.128
flat angles P-C4'-P energy: -17.711
tors. eta vs tors. theta energy: -25.206
Dist. restrs. and SS energy: -50.400 (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: 8
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -408.601175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.601175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.201175 (E_RNA)
where:
Base-Base interactions energy: -248.235
where: short stacking energy: -98.978
Base-Backbone interact. energy: -0.500
local terms energy: -109.465777
where:
bonds (distance) C4'-P energy: -21.322
bonds (distance) P-C4' energy: -19.617
flat angles C4'-P-C4' energy: -17.973
flat angles P-C4'-P energy: -20.711
tors. eta vs tors. theta energy: -29.842
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -398.043800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.043800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.643800 (E_RNA)
where:
Base-Base interactions energy: -242.263
where: short stacking energy: -98.916
Base-Backbone interact. energy: 0.315
local terms energy: -105.696270
where:
bonds (distance) C4'-P energy: -21.830
bonds (distance) P-C4' energy: -19.046
flat angles C4'-P-C4' energy: -24.689
flat angles P-C4'-P energy: -11.268
tors. eta vs tors. theta energy: -28.862
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -390.459758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.459758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.859758 (E_RNA)
where:
Base-Base interactions energy: -239.778
where: short stacking energy: -93.765
Base-Backbone interact. energy: -0.425
local terms energy: -101.656925
where:
bonds (distance) C4'-P energy: -20.750
bonds (distance) P-C4' energy: -16.828
flat angles C4'-P-C4' energy: -20.594
flat angles P-C4'-P energy: -16.284
tors. eta vs tors. theta energy: -27.201
Dist. restrs. and SS energy: -48.600 (S_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: 323
Temperature: 1.100000
Total energy: -373.692763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.692763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.292763 (E_RNA)
where:
Base-Base interactions energy: -213.757
where: short stacking energy: -93.317
Base-Backbone interact. energy: -0.796
local terms energy: -108.740022
where:
bonds (distance) C4'-P energy: -19.744
bonds (distance) P-C4' energy: -23.328
flat angles C4'-P-C4' energy: -19.961
flat angles P-C4'-P energy: -19.431
tors. eta vs tors. theta energy: -26.277
Dist. restrs. and SS energy: -50.400 (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: 9
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -295.662391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.662391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.462391 (E_RNA)
where:
Base-Base interactions energy: -164.299
where: short stacking energy: -70.172
Base-Backbone interact. energy: -0.123
local terms energy: -97.040684
where:
bonds (distance) C4'-P energy: -17.768
bonds (distance) P-C4' energy: -25.536
flat angles C4'-P-C4' energy: -18.670
flat angles P-C4'-P energy: -16.191
tors. eta vs tors. theta energy: -18.876
Dist. restrs. and SS energy: -34.200 (S_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: 323
Temperature: 1.200000
Total energy: -289.436079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.436079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.436079 (E_RNA)
where:
Base-Base interactions energy: -159.677
where: short stacking energy: -79.174
Base-Backbone interact. energy: -0.696
local terms energy: -93.062678
where:
bonds (distance) C4'-P energy: -15.025
bonds (distance) P-C4' energy: -23.543
flat angles C4'-P-C4' energy: -22.175
flat angles P-C4'-P energy: -16.045
tors. eta vs tors. theta energy: -16.274
Dist. restrs. and SS energy: -36.000 (S_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: 323
Temperature: 1.250000
Total energy: -270.366705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.366705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.366705 (E_RNA)
where:
Base-Base interactions energy: -140.817
where: short stacking energy: -66.892
Base-Backbone interact. energy: -1.936
local terms energy: -91.613616
where:
bonds (distance) C4'-P energy: -20.459
bonds (distance) P-C4' energy: -16.255
flat angles C4'-P-C4' energy: -24.996
flat angles P-C4'-P energy: -15.893
tors. eta vs tors. theta energy: -14.011
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -275.826009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.826009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.626009 (E_RNA)
where:
Base-Base interactions energy: -157.985
where: short stacking energy: -62.253
Base-Backbone interact. energy: -1.459
local terms energy: -82.181950
where:
bonds (distance) C4'-P energy: -13.288
bonds (distance) P-C4' energy: -22.833
flat angles C4'-P-C4' energy: -25.270
flat angles P-C4'-P energy: -10.959
tors. eta vs tors. theta energy: -9.832
Dist. restrs. and SS energy: -34.200 (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: 2
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -246.286636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.286636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.286636 (E_RNA)
where:
Base-Base interactions energy: -127.937
where: short stacking energy: -64.472
Base-Backbone interact. energy: -0.239
local terms energy: -82.110974
where:
bonds (distance) C4'-P energy: -22.409
bonds (distance) P-C4' energy: -22.245
flat angles C4'-P-C4' energy: -15.769
flat angles P-C4'-P energy: -11.894
tors. eta vs tors. theta energy: -9.794
Dist. restrs. and SS energy: -36.000 (S_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: 324
Temperature: 0.900000
Total energy: -417.023614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.023614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.623614 (E_RNA)
where:
Base-Base interactions energy: -259.904
where: short stacking energy: -104.264
Base-Backbone interact. energy: -1.126
local terms energy: -105.593085
where:
bonds (distance) C4'-P energy: -19.158
bonds (distance) P-C4' energy: -20.509
flat angles C4'-P-C4' energy: -21.272
flat angles P-C4'-P energy: -15.478
tors. eta vs tors. theta energy: -29.176
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -416.747269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.747269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.347269 (E_RNA)
where:
Base-Base interactions energy: -253.737
where: short stacking energy: -104.029
Base-Backbone interact. energy: -2.293
local terms energy: -110.317254
where:
bonds (distance) C4'-P energy: -19.479
bonds (distance) P-C4' energy: -16.987
flat angles C4'-P-C4' energy: -23.407
flat angles P-C4'-P energy: -17.087
tors. eta vs tors. theta energy: -33.357
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -392.206789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.206789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.806789 (E_RNA)
where:
Base-Base interactions energy: -237.761
where: short stacking energy: -86.713
Base-Backbone interact. energy: -0.004
local terms energy: -104.041619
where:
bonds (distance) C4'-P energy: -22.680
bonds (distance) P-C4' energy: -24.679
flat angles C4'-P-C4' energy: -21.761
flat angles P-C4'-P energy: -14.452
tors. eta vs tors. theta energy: -20.470
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -393.903796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.903796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.503796 (E_RNA)
where:
Base-Base interactions energy: -231.605
where: short stacking energy: -91.157
Base-Backbone interact. energy: -1.220
local terms energy: -110.679071
where:
bonds (distance) C4'-P energy: -21.225
bonds (distance) P-C4' energy: -25.390
flat angles C4'-P-C4' energy: -20.752
flat angles P-C4'-P energy: -16.551
tors. eta vs tors. theta energy: -26.761
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -359.597921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.597921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.197921 (E_RNA)
where:
Base-Base interactions energy: -211.525
where: short stacking energy: -79.418
Base-Backbone interact. energy: 0.611
local terms energy: -98.284554
where:
bonds (distance) C4'-P energy: -19.143
bonds (distance) P-C4' energy: -21.826
flat angles C4'-P-C4' energy: -21.426
flat angles P-C4'-P energy: -18.040
tors. eta vs tors. theta energy: -17.849
Dist. restrs. and SS energy: -50.400 (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: 9
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -288.304811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.304811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.304811 (E_RNA)
where:
Base-Base interactions energy: -157.233
where: short stacking energy: -74.241
Base-Backbone interact. energy: -0.303
local terms energy: -94.769734
where:
bonds (distance) C4'-P energy: -21.590
bonds (distance) P-C4' energy: -20.665
flat angles C4'-P-C4' energy: -24.017
flat angles P-C4'-P energy: -18.487
tors. eta vs tors. theta energy: -10.011
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -269.510047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.510047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.510047 (E_RNA)
where:
Base-Base interactions energy: -137.488
where: short stacking energy: -67.183
Base-Backbone interact. energy: -1.658
local terms energy: -94.364003
where:
bonds (distance) C4'-P energy: -25.613
bonds (distance) P-C4' energy: -24.276
flat angles C4'-P-C4' energy: -17.466
flat angles P-C4'-P energy: -14.797
tors. eta vs tors. theta energy: -12.212
Dist. restrs. and SS energy: -36.000 (S_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: -297.010055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.010055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.010055 (E_RNA)
where:
Base-Base interactions energy: -163.420
where: short stacking energy: -72.477
Base-Backbone interact. energy: -0.210
local terms energy: -97.379536
where:
bonds (distance) C4'-P energy: -18.336
bonds (distance) P-C4' energy: -22.264
flat angles C4'-P-C4' energy: -19.762
flat angles P-C4'-P energy: -18.424
tors. eta vs tors. theta energy: -18.594
Dist. restrs. and SS energy: -36.000 (S_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: 324
Temperature: 1.300000
Total energy: -273.891827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.891827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.491827 (E_RNA)
where:
Base-Base interactions energy: -165.891
where: short stacking energy: -63.568
Base-Backbone interact. energy: -0.365
local terms energy: -75.235192
where:
bonds (distance) C4'-P energy: -23.151
bonds (distance) P-C4' energy: -16.509
flat angles C4'-P-C4' energy: -14.823
flat angles P-C4'-P energy: -12.875
tors. eta vs tors. theta energy: -7.878
Dist. restrs. and SS energy: -32.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -240.548363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.548363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.548363 (E_RNA)
where:
Base-Base interactions energy: -127.102
where: short stacking energy: -59.906
Base-Backbone interact. energy: -0.297
local terms energy: -77.149854
where:
bonds (distance) C4'-P energy: -18.348
bonds (distance) P-C4' energy: -20.804
flat angles C4'-P-C4' energy: -12.786
flat angles P-C4'-P energy: -13.481
tors. eta vs tors. theta energy: -11.730
Dist. restrs. and SS energy: -36.000 (S_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: 325
Temperature: 0.900000
Total energy: -411.263137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.263137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.863137 (E_RNA)
where:
Base-Base interactions energy: -242.316
where: short stacking energy: -101.709
Base-Backbone interact. energy: -0.565
local terms energy: -117.981941
where:
bonds (distance) C4'-P energy: -24.851
bonds (distance) P-C4' energy: -23.223
flat angles C4'-P-C4' energy: -22.194
flat angles P-C4'-P energy: -17.676
tors. eta vs tors. theta energy: -30.039
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -406.469887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.469887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.069887 (E_RNA)
where:
Base-Base interactions energy: -251.958
where: short stacking energy: -97.357
Base-Backbone interact. energy: -0.245
local terms energy: -103.866921
where:
bonds (distance) C4'-P energy: -20.147
bonds (distance) P-C4' energy: -15.003
flat angles C4'-P-C4' energy: -23.677
flat angles P-C4'-P energy: -14.270
tors. eta vs tors. theta energy: -30.771
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -405.173643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.173643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.773643 (E_RNA)
where:
Base-Base interactions energy: -244.931
where: short stacking energy: -94.936
Base-Backbone interact. energy: -2.065
local terms energy: -107.777770
where:
bonds (distance) C4'-P energy: -22.033
bonds (distance) P-C4' energy: -23.042
flat angles C4'-P-C4' energy: -22.918
flat angles P-C4'-P energy: -9.795
tors. eta vs tors. theta energy: -29.991
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -400.066229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.066229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.666229 (E_RNA)
where:
Base-Base interactions energy: -251.144
where: short stacking energy: -88.782
Base-Backbone interact. energy: -1.260
local terms energy: -97.262189
where:
bonds (distance) C4'-P energy: -19.605
bonds (distance) P-C4' energy: -26.802
flat angles C4'-P-C4' energy: -19.869
flat angles P-C4'-P energy: -11.678
tors. eta vs tors. theta energy: -19.308
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -343.466447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.466447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.866447 (E_RNA)
where:
Base-Base interactions energy: -218.965
where: short stacking energy: -76.190
Base-Backbone interact. energy: 2.502
local terms energy: -78.403418
where:
bonds (distance) C4'-P energy: -11.716
bonds (distance) P-C4' energy: -16.402
flat angles C4'-P-C4' energy: -19.124
flat angles P-C4'-P energy: -14.397
tors. eta vs tors. theta energy: -16.763
Dist. restrs. and SS energy: -48.600 (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: 4
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -279.417188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.417188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.417188 (E_RNA)
where:
Base-Base interactions energy: -149.196
where: short stacking energy: -75.567
Base-Backbone interact. energy: -0.311
local terms energy: -93.910571
where:
bonds (distance) C4'-P energy: -24.925
bonds (distance) P-C4' energy: -21.741
flat angles C4'-P-C4' energy: -18.394
flat angles P-C4'-P energy: -13.355
tors. eta vs tors. theta energy: -15.495
Dist. restrs. and SS energy: -36.000 (S_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: 325
Temperature: 1.200000
Total energy: -296.865175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.865175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.665175 (E_RNA)
where:
Base-Base interactions energy: -175.635
where: short stacking energy: -84.686
Base-Backbone interact. energy: -0.628
local terms energy: -86.402712
where:
bonds (distance) C4'-P energy: -18.426
bonds (distance) P-C4' energy: -16.927
flat angles C4'-P-C4' energy: -17.674
flat angles P-C4'-P energy: -14.304
tors. eta vs tors. theta energy: -19.072
Dist. restrs. and SS energy: -34.200 (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: 3
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -279.797036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.797036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.797036 (E_RNA)
where:
Base-Base interactions energy: -157.422
where: short stacking energy: -68.008
Base-Backbone interact. energy: -0.185
local terms energy: -86.190758
where:
bonds (distance) C4'-P energy: -12.675
bonds (distance) P-C4' energy: -21.059
flat angles C4'-P-C4' energy: -23.116
flat angles P-C4'-P energy: -12.574
tors. eta vs tors. theta energy: -16.766
Dist. restrs. and SS energy: -36.000 (S_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: -260.293509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.293509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.093509 (E_RNA)
where:
Base-Base interactions energy: -137.410
where: short stacking energy: -70.274
Base-Backbone interact. energy: -0.144
local terms energy: -88.539403
where:
bonds (distance) C4'-P energy: -24.698
bonds (distance) P-C4' energy: -16.043
flat angles C4'-P-C4' energy: -19.287
flat angles P-C4'-P energy: -13.879
tors. eta vs tors. theta energy: -14.632
Dist. restrs. and SS energy: -34.200 (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: 2
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -244.482138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.482138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.482138 (E_RNA)
where:
Base-Base interactions energy: -120.953
where: short stacking energy: -56.641
Base-Backbone interact. energy: -0.412
local terms energy: -87.116974
where:
bonds (distance) C4'-P energy: -21.962
bonds (distance) P-C4' energy: -19.599
flat angles C4'-P-C4' energy: -19.721
flat angles P-C4'-P energy: -16.702
tors. eta vs tors. theta energy: -9.133
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -420.641661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.641661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.241661 (E_RNA)
where:
Base-Base interactions energy: -261.063
where: short stacking energy: -100.459
Base-Backbone interact. energy: 0.130
local terms energy: -109.309120
where:
bonds (distance) C4'-P energy: -19.667
bonds (distance) P-C4' energy: -19.164
flat angles C4'-P-C4' energy: -20.265
flat angles P-C4'-P energy: -21.595
tors. eta vs tors. theta energy: -28.619
Dist. restrs. and SS energy: -50.400 (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: 8
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -412.959934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.959934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.559934 (E_RNA)
where:
Base-Base interactions energy: -250.679
where: short stacking energy: -90.289
Base-Backbone interact. energy: -0.047
local terms energy: -111.833891
where:
bonds (distance) C4'-P energy: -21.013
bonds (distance) P-C4' energy: -26.385
flat angles C4'-P-C4' energy: -23.241
flat angles P-C4'-P energy: -14.014
tors. eta vs tors. theta energy: -27.182
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -405.952033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.952033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.352033 (E_RNA)
where:
Base-Base interactions energy: -241.519
where: short stacking energy: -91.774
Base-Backbone interact. energy: -1.112
local terms energy: -114.721363
where:
bonds (distance) C4'-P energy: -22.022
bonds (distance) P-C4' energy: -21.161
flat angles C4'-P-C4' energy: -21.135
flat angles P-C4'-P energy: -19.477
tors. eta vs tors. theta energy: -30.927
Dist. restrs. and SS energy: -48.600 (S_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: 326
Temperature: 1.050000
Total energy: -382.687471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.687471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.287471 (E_RNA)
where:
Base-Base interactions energy: -227.937
where: short stacking energy: -75.794
Base-Backbone interact. energy: -2.318
local terms energy: -102.032481
where:
bonds (distance) C4'-P energy: -25.480
bonds (distance) P-C4' energy: -16.250
flat angles C4'-P-C4' energy: -20.498
flat angles P-C4'-P energy: -18.746
tors. eta vs tors. theta energy: -21.060
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -329.333228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.333228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.733228 (E_RNA)
where:
Base-Base interactions energy: -197.637
where: short stacking energy: -66.062
Base-Backbone interact. energy: -1.171
local terms energy: -81.924942
where:
bonds (distance) C4'-P energy: -21.849
bonds (distance) P-C4' energy: -18.565
flat angles C4'-P-C4' energy: -17.797
flat angles P-C4'-P energy: -14.113
tors. eta vs tors. theta energy: -9.601
Dist. restrs. and SS energy: -48.600 (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: 4
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -280.519370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.519370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.519370 (E_RNA)
where:
Base-Base interactions energy: -152.847
where: short stacking energy: -77.884
Base-Backbone interact. energy: 0.090
local terms energy: -91.762880
where:
bonds (distance) C4'-P energy: -16.824
bonds (distance) P-C4' energy: -22.806
flat angles C4'-P-C4' energy: -18.731
flat angles P-C4'-P energy: -15.967
tors. eta vs tors. theta energy: -17.434
Dist. restrs. and SS energy: -36.000 (S_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: 326
Temperature: 1.200000
Total energy: -312.135861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.135861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.135861 (E_RNA)
where:
Base-Base interactions energy: -182.334
where: short stacking energy: -85.005
Base-Backbone interact. energy: -0.207
local terms energy: -93.595051
where:
bonds (distance) C4'-P energy: -21.154
bonds (distance) P-C4' energy: -19.661
flat angles C4'-P-C4' energy: -19.847
flat angles P-C4'-P energy: -10.186
tors. eta vs tors. theta energy: -22.746
Dist. restrs. and SS energy: -36.000 (S_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: 326
Temperature: 1.250000
Total energy: -259.385983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.385983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.385983 (E_RNA)
where:
Base-Base interactions energy: -138.315
where: short stacking energy: -54.519
Base-Backbone interact. energy: -1.840
local terms energy: -83.230559
where:
bonds (distance) C4'-P energy: -15.831
bonds (distance) P-C4' energy: -25.265
flat angles C4'-P-C4' energy: -17.843
flat angles P-C4'-P energy: -13.871
tors. eta vs tors. theta energy: -10.420
Dist. restrs. and SS energy: -36.000 (S_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: 326
Temperature: 1.300000
Total energy: -252.076968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.076968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.876968 (E_RNA)
where:
Base-Base interactions energy: -133.006
where: short stacking energy: -70.567
Base-Backbone interact. energy: -0.044
local terms energy: -84.826572
where:
bonds (distance) C4'-P energy: -17.496
bonds (distance) P-C4' energy: -17.136
flat angles C4'-P-C4' energy: -22.212
flat angles P-C4'-P energy: -11.710
tors. eta vs tors. theta energy: -16.272
Dist. restrs. and SS energy: -34.200 (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: 2
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -279.086388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.086388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.086388 (E_RNA)
where:
Base-Base interactions energy: -157.252
where: short stacking energy: -72.312
Base-Backbone interact. energy: -1.014
local terms energy: -84.820514
where:
bonds (distance) C4'-P energy: -18.333
bonds (distance) P-C4' energy: -23.827
flat angles C4'-P-C4' energy: -18.731
flat angles P-C4'-P energy: -10.786
tors. eta vs tors. theta energy: -13.144
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -417.482079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.482079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.082079 (E_RNA)
where:
Base-Base interactions energy: -262.542
where: short stacking energy: -94.959
Base-Backbone interact. energy: -0.423
local terms energy: -104.117784
where:
bonds (distance) C4'-P energy: -22.074
bonds (distance) P-C4' energy: -23.977
flat angles C4'-P-C4' energy: -17.929
flat angles P-C4'-P energy: -15.228
tors. eta vs tors. theta energy: -24.910
Dist. restrs. and SS energy: -50.400 (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: 8
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -404.588435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.588435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.188435 (E_RNA)
where:
Base-Base interactions energy: -245.856
where: short stacking energy: -95.812
Base-Backbone interact. energy: -0.078
local terms energy: -108.254198
where:
bonds (distance) C4'-P energy: -19.962
bonds (distance) P-C4' energy: -26.494
flat angles C4'-P-C4' energy: -20.649
flat angles P-C4'-P energy: -15.100
tors. eta vs tors. theta energy: -26.050
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -400.940016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.940016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.540016 (E_RNA)
where:
Base-Base interactions energy: -238.909
where: short stacking energy: -90.571
Base-Backbone interact. energy: 2.239
local terms energy: -113.870367
where:
bonds (distance) C4'-P energy: -23.509
bonds (distance) P-C4' energy: -22.507
flat angles C4'-P-C4' energy: -23.972
flat angles P-C4'-P energy: -16.483
tors. eta vs tors. theta energy: -27.399
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -396.469236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.469236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.069236 (E_RNA)
where:
Base-Base interactions energy: -237.128
where: short stacking energy: -82.815
Base-Backbone interact. energy: -1.698
local terms energy: -107.243085
where:
bonds (distance) C4'-P energy: -21.505
bonds (distance) P-C4' energy: -23.620
flat angles C4'-P-C4' energy: -21.813
flat angles P-C4'-P energy: -12.012
tors. eta vs tors. theta energy: -28.293
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -352.527762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.527762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.727762 (E_RNA)
where:
Base-Base interactions energy: -205.505
where: short stacking energy: -85.991
Base-Backbone interact. energy: -0.629
local terms energy: -99.593292
where:
bonds (distance) C4'-P energy: -21.298
bonds (distance) P-C4' energy: -22.003
flat angles C4'-P-C4' energy: -21.498
flat angles P-C4'-P energy: -14.262
tors. eta vs tors. theta energy: -20.531
Dist. restrs. and SS energy: -46.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -300.465147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.465147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.465147 (E_RNA)
where:
Base-Base interactions energy: -163.491
where: short stacking energy: -72.650
Base-Backbone interact. energy: -1.306
local terms energy: -99.667561
where:
bonds (distance) C4'-P energy: -14.572
bonds (distance) P-C4' energy: -24.839
flat angles C4'-P-C4' energy: -23.765
flat angles P-C4'-P energy: -12.445
tors. eta vs tors. theta energy: -24.047
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -287.185159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.185159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.185159 (E_RNA)
where:
Base-Base interactions energy: -163.268
where: short stacking energy: -71.607
Base-Backbone interact. energy: -1.565
local terms energy: -86.351867
where:
bonds (distance) C4'-P energy: -16.797
bonds (distance) P-C4' energy: -26.104
flat angles C4'-P-C4' energy: -16.406
flat angles P-C4'-P energy: -12.879
tors. eta vs tors. theta energy: -14.167
Dist. restrs. and SS energy: -36.000 (S_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: 327
Temperature: 1.250000
Total energy: -266.584530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.584530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.584530 (E_RNA)
where:
Base-Base interactions energy: -149.951
where: short stacking energy: -69.048
Base-Backbone interact. energy: -0.291
local terms energy: -80.341812
where:
bonds (distance) C4'-P energy: -16.390
bonds (distance) P-C4' energy: -20.052
flat angles C4'-P-C4' energy: -20.943
flat angles P-C4'-P energy: -12.097
tors. eta vs tors. theta energy: -10.859
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -280.492153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.492153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.492153 (E_RNA)
where:
Base-Base interactions energy: -151.201
where: short stacking energy: -71.253
Base-Backbone interact. energy: -0.370
local terms energy: -92.921220
where:
bonds (distance) C4'-P energy: -16.269
bonds (distance) P-C4' energy: -22.018
flat angles C4'-P-C4' energy: -17.776
flat angles P-C4'-P energy: -15.451
tors. eta vs tors. theta energy: -21.407
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -266.128137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.128137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.128137 (E_RNA)
where:
Base-Base interactions energy: -150.719
where: short stacking energy: -73.845
Base-Backbone interact. energy: -0.052
local terms energy: -79.356553
where:
bonds (distance) C4'-P energy: -20.502
bonds (distance) P-C4' energy: -16.778
flat angles C4'-P-C4' energy: -15.388
flat angles P-C4'-P energy: -9.728
tors. eta vs tors. theta energy: -16.960
Dist. restrs. and SS energy: -36.000 (S_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: 328
Temperature: 0.900000
Total energy: -417.292306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.292306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.892306 (E_RNA)
where:
Base-Base interactions energy: -254.774
where: short stacking energy: -95.398
Base-Backbone interact. energy: -1.742
local terms energy: -110.375676
where:
bonds (distance) C4'-P energy: -19.766
bonds (distance) P-C4' energy: -25.328
flat angles C4'-P-C4' energy: -21.078
flat angles P-C4'-P energy: -17.606
tors. eta vs tors. theta energy: -26.597
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -403.962831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.962831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.562831 (E_RNA)
where:
Base-Base interactions energy: -250.093
where: short stacking energy: -91.803
Base-Backbone interact. energy: 0.533
local terms energy: -104.003196
where:
bonds (distance) C4'-P energy: -22.392
bonds (distance) P-C4' energy: -24.427
flat angles C4'-P-C4' energy: -21.121
flat angles P-C4'-P energy: -14.104
tors. eta vs tors. theta energy: -21.960
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -396.715985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.715985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.315985 (E_RNA)
where:
Base-Base interactions energy: -242.596
where: short stacking energy: -89.591
Base-Backbone interact. energy: -1.093
local terms energy: -102.626990
where:
bonds (distance) C4'-P energy: -20.964
bonds (distance) P-C4' energy: -23.579
flat angles C4'-P-C4' energy: -20.292
flat angles P-C4'-P energy: -14.898
tors. eta vs tors. theta energy: -22.894
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -394.008985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.008985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.608985 (E_RNA)
where:
Base-Base interactions energy: -233.133
where: short stacking energy: -83.425
Base-Backbone interact. energy: -1.807
local terms energy: -108.668559
where:
bonds (distance) C4'-P energy: -16.323
bonds (distance) P-C4' energy: -25.441
flat angles C4'-P-C4' energy: -23.556
flat angles P-C4'-P energy: -17.475
tors. eta vs tors. theta energy: -25.874
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -358.453542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.453542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.053542 (E_RNA)
where:
Base-Base interactions energy: -203.476
where: short stacking energy: -77.483
Base-Backbone interact. energy: 1.555
local terms energy: -106.133125
where:
bonds (distance) C4'-P energy: -21.841
bonds (distance) P-C4' energy: -23.024
flat angles C4'-P-C4' energy: -21.733
flat angles P-C4'-P energy: -17.302
tors. eta vs tors. theta energy: -22.232
Dist. restrs. and SS energy: -50.400 (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: 3
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -300.011561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.011561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.011561 (E_RNA)
where:
Base-Base interactions energy: -170.743
where: short stacking energy: -74.439
Base-Backbone interact. energy: -0.001
local terms energy: -93.267394
where:
bonds (distance) C4'-P energy: -16.426
bonds (distance) P-C4' energy: -14.537
flat angles C4'-P-C4' energy: -22.842
flat angles P-C4'-P energy: -14.586
tors. eta vs tors. theta energy: -24.877
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -285.666953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.666953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.666953 (E_RNA)
where:
Base-Base interactions energy: -151.962
where: short stacking energy: -65.694
Base-Backbone interact. energy: -0.352
local terms energy: -97.352852
where:
bonds (distance) C4'-P energy: -24.889
bonds (distance) P-C4' energy: -25.660
flat angles C4'-P-C4' energy: -17.059
flat angles P-C4'-P energy: -13.875
tors. eta vs tors. theta energy: -15.870
Dist. restrs. and SS energy: -36.000 (S_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: 328
Temperature: 1.250000
Total energy: -259.142432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.142432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.142432 (E_RNA)
where:
Base-Base interactions energy: -131.131
where: short stacking energy: -59.383
Base-Backbone interact. energy: -0.197
local terms energy: -91.814129
where:
bonds (distance) C4'-P energy: -22.358
bonds (distance) P-C4' energy: -19.152
flat angles C4'-P-C4' energy: -23.160
flat angles P-C4'-P energy: -14.854
tors. eta vs tors. theta energy: -12.290
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -278.208743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.208743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.208743 (E_RNA)
where:
Base-Base interactions energy: -157.228
where: short stacking energy: -79.291
Base-Backbone interact. energy: -0.219
local terms energy: -84.761595
where:
bonds (distance) C4'-P energy: -16.132
bonds (distance) P-C4' energy: -21.694
flat angles C4'-P-C4' energy: -19.866
flat angles P-C4'-P energy: -12.022
tors. eta vs tors. theta energy: -15.047
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -245.803861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.803861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.403861 (E_RNA)
where:
Base-Base interactions energy: -134.163
where: short stacking energy: -56.657
Base-Backbone interact. energy: -0.346
local terms energy: -78.894677
where:
bonds (distance) C4'-P energy: -10.325
bonds (distance) P-C4' energy: -24.790
flat angles C4'-P-C4' energy: -17.066
flat angles P-C4'-P energy: -13.186
tors. eta vs tors. theta energy: -13.528
Dist. restrs. and SS energy: -32.400 (S_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: 329
Temperature: 0.900000
Total energy: -406.134294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.134294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.334294 (E_RNA)
where:
Base-Base interactions energy: -249.484
where: short stacking energy: -97.174
Base-Backbone interact. energy: -0.627
local terms energy: -109.223111
where:
bonds (distance) C4'-P energy: -15.744
bonds (distance) P-C4' energy: -23.783
flat angles C4'-P-C4' energy: -26.734
flat angles P-C4'-P energy: -13.845
tors. eta vs tors. theta energy: -29.117
Dist. restrs. and SS energy: -46.800 (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: 10
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -410.788660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.788660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.388660 (E_RNA)
where:
Base-Base interactions energy: -252.822
where: short stacking energy: -93.383
Base-Backbone interact. energy: -0.342
local terms energy: -107.225112
where:
bonds (distance) C4'-P energy: -17.671
bonds (distance) P-C4' energy: -21.926
flat angles C4'-P-C4' energy: -22.036
flat angles P-C4'-P energy: -17.108
tors. eta vs tors. theta energy: -28.484
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -395.419915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.419915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.019915 (E_RNA)
where:
Base-Base interactions energy: -240.577
where: short stacking energy: -93.584
Base-Backbone interact. energy: -1.454
local terms energy: -102.989142
where:
bonds (distance) C4'-P energy: -17.446
bonds (distance) P-C4' energy: -24.331
flat angles C4'-P-C4' energy: -20.003
flat angles P-C4'-P energy: -13.309
tors. eta vs tors. theta energy: -27.901
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -369.262156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.262156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.862156 (E_RNA)
where:
Base-Base interactions energy: -223.930
where: short stacking energy: -72.054
Base-Backbone interact. energy: 0.829
local terms energy: -95.761630
where:
bonds (distance) C4'-P energy: -15.465
bonds (distance) P-C4' energy: -24.336
flat angles C4'-P-C4' energy: -23.161
flat angles P-C4'-P energy: -17.574
tors. eta vs tors. theta energy: -15.226
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -386.351087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.351087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.951087 (E_RNA)
where:
Base-Base interactions energy: -233.795
where: short stacking energy: -92.196
Base-Backbone interact. energy: -0.906
local terms energy: -101.249887
where:
bonds (distance) C4'-P energy: -18.041
bonds (distance) P-C4' energy: -23.183
flat angles C4'-P-C4' energy: -16.264
flat angles P-C4'-P energy: -15.496
tors. eta vs tors. theta energy: -28.267
Dist. restrs. and SS energy: -50.400 (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: 3
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -313.233500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.233500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.233500 (E_RNA)
where:
Base-Base interactions energy: -180.750
where: short stacking energy: -85.443
Base-Backbone interact. energy: -0.173
local terms energy: -96.310861
where:
bonds (distance) C4'-P energy: -20.330
bonds (distance) P-C4' energy: -16.802
flat angles C4'-P-C4' energy: -22.596
flat angles P-C4'-P energy: -14.815
tors. eta vs tors. theta energy: -21.767
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -264.221519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.221519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.221519 (E_RNA)
where:
Base-Base interactions energy: -140.167
where: short stacking energy: -73.357
Base-Backbone interact. energy: 0.580
local terms energy: -88.634881
where:
bonds (distance) C4'-P energy: -18.959
bonds (distance) P-C4' energy: -14.780
flat angles C4'-P-C4' energy: -22.624
flat angles P-C4'-P energy: -18.122
tors. eta vs tors. theta energy: -14.150
Dist. restrs. and SS energy: -36.000 (S_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: 329
Temperature: 1.250000
Total energy: -271.631873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.631873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.631873 (E_RNA)
where:
Base-Base interactions energy: -155.800
where: short stacking energy: -71.387
Base-Backbone interact. energy: -0.611
local terms energy: -79.220299
where:
bonds (distance) C4'-P energy: -15.754
bonds (distance) P-C4' energy: -15.435
flat angles C4'-P-C4' energy: -22.438
flat angles P-C4'-P energy: -12.117
tors. eta vs tors. theta energy: -13.476
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -248.948634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.948634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.948634 (E_RNA)
where:
Base-Base interactions energy: -131.079
where: short stacking energy: -60.807
Base-Backbone interact. energy: -0.556
local terms energy: -81.313374
where:
bonds (distance) C4'-P energy: -12.868
bonds (distance) P-C4' energy: -23.342
flat angles C4'-P-C4' energy: -21.239
flat angles P-C4'-P energy: -13.582
tors. eta vs tors. theta energy: -10.283
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -249.084170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.084170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.084170 (E_RNA)
where:
Base-Base interactions energy: -134.410
where: short stacking energy: -51.731
Base-Backbone interact. energy: 0.258
local terms energy: -78.931491
where:
bonds (distance) C4'-P energy: -20.706
bonds (distance) P-C4' energy: -16.730
flat angles C4'-P-C4' energy: -18.473
flat angles P-C4'-P energy: -11.032
tors. eta vs tors. theta energy: -11.991
Dist. restrs. and SS energy: -36.000 (S_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: 330
Temperature: 0.900000
Total energy: -414.145790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.145790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.745790 (E_RNA)
where:
Base-Base interactions energy: -245.003
where: short stacking energy: -104.405
Base-Backbone interact. energy: -2.636
local terms energy: -116.106727
where:
bonds (distance) C4'-P energy: -17.468
bonds (distance) P-C4' energy: -26.005
flat angles C4'-P-C4' energy: -26.998
flat angles P-C4'-P energy: -15.026
tors. eta vs tors. theta energy: -30.610
Dist. restrs. and SS energy: -50.400 (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: 8
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -399.488527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.488527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.288527 (E_RNA)
where:
Base-Base interactions energy: -251.245
where: short stacking energy: -102.712
Base-Backbone interact. energy: -0.412
local terms energy: -104.631466
where:
bonds (distance) C4'-P energy: -20.450
bonds (distance) P-C4' energy: -20.887
flat angles C4'-P-C4' energy: -25.366
flat angles P-C4'-P energy: -9.972
tors. eta vs tors. theta energy: -27.956
Dist. restrs. and SS energy: -43.200 (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: 7
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -380.286627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.286627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.886627 (E_RNA)
where:
Base-Base interactions energy: -232.547
where: short stacking energy: -83.016
Base-Backbone interact. energy: -1.403
local terms energy: -95.936549
where:
bonds (distance) C4'-P energy: -21.940
bonds (distance) P-C4' energy: -17.951
flat angles C4'-P-C4' energy: -22.636
flat angles P-C4'-P energy: -14.073
tors. eta vs tors. theta energy: -19.336
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -397.315435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.315435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.715435 (E_RNA)
where:
Base-Base interactions energy: -246.600
where: short stacking energy: -101.349
Base-Backbone interact. energy: -0.701
local terms energy: -101.414422
where:
bonds (distance) C4'-P energy: -23.270
bonds (distance) P-C4' energy: -13.194
flat angles C4'-P-C4' energy: -18.644
flat angles P-C4'-P energy: -17.802
tors. eta vs tors. theta energy: -28.505
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -383.327494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.327494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.927494 (E_RNA)
where:
Base-Base interactions energy: -228.479
where: short stacking energy: -95.661
Base-Backbone interact. energy: -0.652
local terms energy: -103.797214
where:
bonds (distance) C4'-P energy: -15.855
bonds (distance) P-C4' energy: -20.441
flat angles C4'-P-C4' energy: -21.136
flat angles P-C4'-P energy: -16.409
tors. eta vs tors. theta energy: -29.957
Dist. restrs. and SS energy: -50.400 (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: 3
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -290.334910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.334910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.134910 (E_RNA)
where:
Base-Base interactions energy: -165.869
where: short stacking energy: -75.796
Base-Backbone interact. energy: 0.479
local terms energy: -90.744809
where:
bonds (distance) C4'-P energy: -13.802
bonds (distance) P-C4' energy: -18.861
flat angles C4'-P-C4' energy: -22.569
flat angles P-C4'-P energy: -15.953
tors. eta vs tors. theta energy: -19.559
Dist. restrs. and SS energy: -34.200 (S_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: 330
Temperature: 1.200000
Total energy: -287.200188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.200188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.000188 (E_RNA)
where:
Base-Base interactions energy: -163.251
where: short stacking energy: -74.286
Base-Backbone interact. energy: -0.338
local terms energy: -89.411014
where:
bonds (distance) C4'-P energy: -19.909
bonds (distance) P-C4' energy: -19.758
flat angles C4'-P-C4' energy: -20.425
flat angles P-C4'-P energy: -10.541
tors. eta vs tors. theta energy: -18.779
Dist. restrs. and SS energy: -34.200 (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: 330
Temperature: 1.250000
Total energy: -291.790932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.790932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.390932 (E_RNA)
where:
Base-Base interactions energy: -171.487
where: short stacking energy: -86.356
Base-Backbone interact. energy: -0.619
local terms energy: -87.285728
where:
bonds (distance) C4'-P energy: -14.534
bonds (distance) P-C4' energy: -21.978
flat angles C4'-P-C4' energy: -19.301
flat angles P-C4'-P energy: -11.640
tors. eta vs tors. theta energy: -19.834
Dist. restrs. and SS energy: -32.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -293.749392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.749392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.749392 (E_RNA)
where:
Base-Base interactions energy: -170.681
where: short stacking energy: -71.658
Base-Backbone interact. energy: -0.074
local terms energy: -86.994124
where:
bonds (distance) C4'-P energy: -16.915
bonds (distance) P-C4' energy: -19.721
flat angles C4'-P-C4' energy: -18.836
flat angles P-C4'-P energy: -16.059
tors. eta vs tors. theta energy: -15.464
Dist. restrs. and SS energy: -36.000 (S_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: 330
Temperature: 1.350000
Total energy: -259.975845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.975845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.975845 (E_RNA)
where:
Base-Base interactions energy: -145.548
where: short stacking energy: -60.042
Base-Backbone interact. energy: -0.451
local terms energy: -77.976831
where:
bonds (distance) C4'-P energy: -19.384
bonds (distance) P-C4' energy: -20.391
flat angles C4'-P-C4' energy: -20.735
flat angles P-C4'-P energy: -9.749
tors. eta vs tors. theta energy: -7.718
Dist. restrs. and SS energy: -36.000 (S_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: 331
Temperature: 0.900000
Total energy: -412.473910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.473910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.073910 (E_RNA)
where:
Base-Base interactions energy: -251.177
where: short stacking energy: -96.496
Base-Backbone interact. energy: -0.670
local terms energy: -110.226263
where:
bonds (distance) C4'-P energy: -18.834
bonds (distance) P-C4' energy: -25.201
flat angles C4'-P-C4' energy: -21.483
flat angles P-C4'-P energy: -14.360
tors. eta vs tors. theta energy: -30.348
Dist. restrs. and SS energy: -50.400 (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: 8
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -412.663465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.663465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.863465 (E_RNA)
where:
Base-Base interactions energy: -253.082
where: short stacking energy: -96.740
Base-Backbone interact. energy: -1.354
local terms energy: -111.427409
where:
bonds (distance) C4'-P energy: -19.610
bonds (distance) P-C4' energy: -27.299
flat angles C4'-P-C4' energy: -21.333
flat angles P-C4'-P energy: -12.863
tors. eta vs tors. theta energy: -30.322
Dist. restrs. and SS energy: -46.800 (S_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: 331
Temperature: 1.000000
Total energy: -387.817192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.817192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.217192 (E_RNA)
where:
Base-Base interactions energy: -223.728
where: short stacking energy: -102.000
Base-Backbone interact. energy: -0.380
local terms energy: -115.109169
where:
bonds (distance) C4'-P energy: -23.360
bonds (distance) P-C4' energy: -26.142
flat angles C4'-P-C4' energy: -26.684
flat angles P-C4'-P energy: -16.307
tors. eta vs tors. theta energy: -22.617
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -394.830127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.830127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.430127 (E_RNA)
where:
Base-Base interactions energy: -240.245
where: short stacking energy: -94.077
Base-Backbone interact. energy: -0.520
local terms energy: -103.665029
where:
bonds (distance) C4'-P energy: -15.721
bonds (distance) P-C4' energy: -19.617
flat angles C4'-P-C4' energy: -23.798
flat angles P-C4'-P energy: -19.934
tors. eta vs tors. theta energy: -24.595
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -390.001179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.001179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.601179 (E_RNA)
where:
Base-Base interactions energy: -240.681
where: short stacking energy: -89.637
Base-Backbone interact. energy: -0.421
local terms energy: -98.498513
where:
bonds (distance) C4'-P energy: -18.674
bonds (distance) P-C4' energy: -14.280
flat angles C4'-P-C4' energy: -20.755
flat angles P-C4'-P energy: -18.740
tors. eta vs tors. theta energy: -26.049
Dist. restrs. and SS energy: -50.400 (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: 331
Temperature: 1.150000
Total energy: -278.227389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.227389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.227389 (E_RNA)
where:
Base-Base interactions energy: -158.310
where: short stacking energy: -58.997
Base-Backbone interact. energy: -0.190
local terms energy: -83.727690
where:
bonds (distance) C4'-P energy: -17.134
bonds (distance) P-C4' energy: -22.387
flat angles C4'-P-C4' energy: -16.705
flat angles P-C4'-P energy: -13.621
tors. eta vs tors. theta energy: -13.882
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -288.218941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.218941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.218941 (E_RNA)
where:
Base-Base interactions energy: -156.720
where: short stacking energy: -77.816
Base-Backbone interact. energy: -0.050
local terms energy: -95.448131
where:
bonds (distance) C4'-P energy: -19.269
bonds (distance) P-C4' energy: -20.283
flat angles C4'-P-C4' energy: -23.631
flat angles P-C4'-P energy: -12.673
tors. eta vs tors. theta energy: -19.593
Dist. restrs. and SS energy: -36.000 (S_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: 331
Temperature: 1.250000
Total energy: -273.371694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.371694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.371694 (E_RNA)
where:
Base-Base interactions energy: -143.942
where: short stacking energy: -57.948
Base-Backbone interact. energy: -0.884
local terms energy: -92.545692
where:
bonds (distance) C4'-P energy: -20.093
bonds (distance) P-C4' energy: -17.322
flat angles C4'-P-C4' energy: -23.483
flat angles P-C4'-P energy: -17.938
tors. eta vs tors. theta energy: -13.710
Dist. restrs. and SS energy: -36.000 (S_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: 331
Temperature: 1.300000
Total energy: -267.650001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.650001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.450001 (E_RNA)
where:
Base-Base interactions energy: -138.752
where: short stacking energy: -59.188
Base-Backbone interact. energy: -0.171
local terms energy: -94.526670
where:
bonds (distance) C4'-P energy: -24.270
bonds (distance) P-C4' energy: -21.939
flat angles C4'-P-C4' energy: -20.636
flat angles P-C4'-P energy: -13.881
tors. eta vs tors. theta energy: -13.800
Dist. restrs. and SS energy: -34.200 (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: 6
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -256.071794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.071794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.071794 (E_RNA)
where:
Base-Base interactions energy: -144.489
where: short stacking energy: -61.694
Base-Backbone interact. energy: -0.044
local terms energy: -75.538577
where:
bonds (distance) C4'-P energy: -18.184
bonds (distance) P-C4' energy: -18.226
flat angles C4'-P-C4' energy: -20.697
flat angles P-C4'-P energy: -5.854
tors. eta vs tors. theta energy: -12.578
Dist. restrs. and SS energy: -36.000 (S_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: 332
Temperature: 0.900000
Total energy: -418.465519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.465519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.065519 (E_RNA)
where:
Base-Base interactions energy: -252.325
where: short stacking energy: -98.045
Base-Backbone interact. energy: 0.660
local terms energy: -116.400196
where:
bonds (distance) C4'-P energy: -23.030
bonds (distance) P-C4' energy: -26.481
flat angles C4'-P-C4' energy: -23.267
flat angles P-C4'-P energy: -13.212
tors. eta vs tors. theta energy: -30.411
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -404.514618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.514618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.114618 (E_RNA)
where:
Base-Base interactions energy: -252.069
where: short stacking energy: -97.811
Base-Backbone interact. energy: -0.175
local terms energy: -101.869833
where:
bonds (distance) C4'-P energy: -19.062
bonds (distance) P-C4' energy: -21.708
flat angles C4'-P-C4' energy: -22.164
flat angles P-C4'-P energy: -13.493
tors. eta vs tors. theta energy: -25.442
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -386.535258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.535258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.135258 (E_RNA)
where:
Base-Base interactions energy: -228.699
where: short stacking energy: -97.445
Base-Backbone interact. energy: -0.517
local terms energy: -106.919407
where:
bonds (distance) C4'-P energy: -25.079
bonds (distance) P-C4' energy: -19.188
flat angles C4'-P-C4' energy: -24.478
flat angles P-C4'-P energy: -15.210
tors. eta vs tors. theta energy: -22.963
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -365.439226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.439226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.839226 (E_RNA)
where:
Base-Base interactions energy: -214.018
where: short stacking energy: -78.788
Base-Backbone interact. energy: 1.694
local terms energy: -104.515661
where:
bonds (distance) C4'-P energy: -18.226
bonds (distance) P-C4' energy: -21.142
flat angles C4'-P-C4' energy: -24.203
flat angles P-C4'-P energy: -17.404
tors. eta vs tors. theta energy: -23.541
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -383.823049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.823049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.423049 (E_RNA)
where:
Base-Base interactions energy: -237.369
where: short stacking energy: -84.192
Base-Backbone interact. energy: -0.652
local terms energy: -95.401812
where:
bonds (distance) C4'-P energy: -22.018
bonds (distance) P-C4' energy: -24.197
flat angles C4'-P-C4' energy: -16.171
flat angles P-C4'-P energy: -14.982
tors. eta vs tors. theta energy: -18.034
Dist. restrs. and SS energy: -50.400 (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: 332
Temperature: 1.150000
Total energy: -273.470796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.470796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.470796 (E_RNA)
where:
Base-Base interactions energy: -148.220
where: short stacking energy: -74.201
Base-Backbone interact. energy: -0.406
local terms energy: -88.844490
where:
bonds (distance) C4'-P energy: -20.132
bonds (distance) P-C4' energy: -18.389
flat angles C4'-P-C4' energy: -24.539
flat angles P-C4'-P energy: -12.074
tors. eta vs tors. theta energy: -13.710
Dist. restrs. and SS energy: -36.000 (S_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: 332
Temperature: 1.200000
Total energy: -301.384164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.384164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.384164 (E_RNA)
where:
Base-Base interactions energy: -166.005
where: short stacking energy: -72.577
Base-Backbone interact. energy: -0.084
local terms energy: -99.295444
where:
bonds (distance) C4'-P energy: -23.192
bonds (distance) P-C4' energy: -19.962
flat angles C4'-P-C4' energy: -23.715
flat angles P-C4'-P energy: -14.948
tors. eta vs tors. theta energy: -17.478
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -282.667732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.667732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.667732 (E_RNA)
where:
Base-Base interactions energy: -149.478
where: short stacking energy: -65.249
Base-Backbone interact. energy: -0.244
local terms energy: -96.945373
where:
bonds (distance) C4'-P energy: -20.803
bonds (distance) P-C4' energy: -25.275
flat angles C4'-P-C4' energy: -16.555
flat angles P-C4'-P energy: -14.062
tors. eta vs tors. theta energy: -20.250
Dist. restrs. and SS energy: -36.000 (S_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: 332
Temperature: 1.300000
Total energy: -267.841681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.841681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.841681 (E_RNA)
where:
Base-Base interactions energy: -146.888
where: short stacking energy: -69.025
Base-Backbone interact. energy: -0.112
local terms energy: -84.840965
where:
bonds (distance) C4'-P energy: -15.229
bonds (distance) P-C4' energy: -22.378
flat angles C4'-P-C4' energy: -18.354
flat angles P-C4'-P energy: -10.031
tors. eta vs tors. theta energy: -18.848
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -242.811912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.811912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.611912 (E_RNA)
where:
Base-Base interactions energy: -137.995
where: short stacking energy: -61.695
Base-Backbone interact. energy: 3.804
local terms energy: -74.421252
where:
bonds (distance) C4'-P energy: -14.621
bonds (distance) P-C4' energy: -22.298
flat angles C4'-P-C4' energy: -19.887
flat angles P-C4'-P energy: -8.554
tors. eta vs tors. theta energy: -9.060
Dist. restrs. and SS energy: -34.200 (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: 8
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -431.413190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.413190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.013190 (E_RNA)
where:
Base-Base interactions energy: -272.651
where: short stacking energy: -104.941
Base-Backbone interact. energy: 0.800
local terms energy: -109.162430
where:
bonds (distance) C4'-P energy: -19.769
bonds (distance) P-C4' energy: -19.903
flat angles C4'-P-C4' energy: -23.255
flat angles P-C4'-P energy: -16.408
tors. eta vs tors. theta energy: -29.828
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -385.146577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.146577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.746577 (E_RNA)
where:
Base-Base interactions energy: -223.685
where: short stacking energy: -95.816
Base-Backbone interact. energy: -0.801
local terms energy: -110.260377
where:
bonds (distance) C4'-P energy: -20.319
bonds (distance) P-C4' energy: -22.984
flat angles C4'-P-C4' energy: -22.869
flat angles P-C4'-P energy: -16.982
tors. eta vs tors. theta energy: -27.107
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -390.414980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.414980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.014980 (E_RNA)
where:
Base-Base interactions energy: -231.935
where: short stacking energy: -89.743
Base-Backbone interact. energy: -0.506
local terms energy: -107.574355
where:
bonds (distance) C4'-P energy: -22.873
bonds (distance) P-C4' energy: -22.832
flat angles C4'-P-C4' energy: -24.875
flat angles P-C4'-P energy: -14.605
tors. eta vs tors. theta energy: -22.389
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -401.197722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.197722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.797722 (E_RNA)
where:
Base-Base interactions energy: -235.750
where: short stacking energy: -93.480
Base-Backbone interact. energy: -0.892
local terms energy: -114.156097
where:
bonds (distance) C4'-P energy: -23.501
bonds (distance) P-C4' energy: -24.961
flat angles C4'-P-C4' energy: -26.572
flat angles P-C4'-P energy: -11.984
tors. eta vs tors. theta energy: -27.139
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -346.049286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.049286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.649286 (E_RNA)
where:
Base-Base interactions energy: -202.243
where: short stacking energy: -77.963
Base-Backbone interact. energy: -0.394
local terms energy: -93.012168
where:
bonds (distance) C4'-P energy: -22.309
bonds (distance) P-C4' energy: -20.802
flat angles C4'-P-C4' energy: -19.687
flat angles P-C4'-P energy: -14.291
tors. eta vs tors. theta energy: -15.924
Dist. restrs. and SS energy: -50.400 (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: 333
Temperature: 1.150000
Total energy: -293.499648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.499648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.499648 (E_RNA)
where:
Base-Base interactions energy: -153.460
where: short stacking energy: -76.090
Base-Backbone interact. energy: -0.123
local terms energy: -103.916702
where:
bonds (distance) C4'-P energy: -21.152
bonds (distance) P-C4' energy: -23.000
flat angles C4'-P-C4' energy: -22.380
flat angles P-C4'-P energy: -20.558
tors. eta vs tors. theta energy: -16.826
Dist. restrs. and SS energy: -36.000 (S_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: 333
Temperature: 1.200000
Total energy: -295.193772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.193772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.993772 (E_RNA)
where:
Base-Base interactions energy: -166.220
where: short stacking energy: -79.939
Base-Backbone interact. energy: -0.051
local terms energy: -94.722844
where:
bonds (distance) C4'-P energy: -19.113
bonds (distance) P-C4' energy: -18.123
flat angles C4'-P-C4' energy: -26.470
flat angles P-C4'-P energy: -14.932
tors. eta vs tors. theta energy: -16.085
Dist. restrs. and SS energy: -34.200 (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: 3
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -262.495088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.495088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.495088 (E_RNA)
where:
Base-Base interactions energy: -137.602
where: short stacking energy: -64.140
Base-Backbone interact. energy: -0.053
local terms energy: -88.840428
where:
bonds (distance) C4'-P energy: -17.212
bonds (distance) P-C4' energy: -22.840
flat angles C4'-P-C4' energy: -16.468
flat angles P-C4'-P energy: -16.073
tors. eta vs tors. theta energy: -16.248
Dist. restrs. and SS energy: -36.000 (S_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: 333
Temperature: 1.300000
Total energy: -270.437145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.437145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.237145 (E_RNA)
where:
Base-Base interactions energy: -158.694
where: short stacking energy: -66.532
Base-Backbone interact. energy: -0.113
local terms energy: -77.429230
where:
bonds (distance) C4'-P energy: -16.063
bonds (distance) P-C4' energy: -18.763
flat angles C4'-P-C4' energy: -17.883
flat angles P-C4'-P energy: -11.590
tors. eta vs tors. theta energy: -13.130
Dist. restrs. and SS energy: -34.200 (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: 4
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -247.923354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.923354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.723354 (E_RNA)
where:
Base-Base interactions energy: -145.701
where: short stacking energy: -56.583
Base-Backbone interact. energy: -0.980
local terms energy: -67.042244
where:
bonds (distance) C4'-P energy: -16.567
bonds (distance) P-C4' energy: -18.196
flat angles C4'-P-C4' energy: -21.553
flat angles P-C4'-P energy: -11.389
tors. eta vs tors. theta energy: 0.662
Dist. restrs. and SS energy: -34.200 (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: 8
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -414.014245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.014245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.614245 (E_RNA)
where:
Base-Base interactions energy: -249.269
where: short stacking energy: -94.640
Base-Backbone interact. energy: -0.930
local terms energy: -113.415518
where:
bonds (distance) C4'-P energy: -22.127
bonds (distance) P-C4' energy: -24.212
flat angles C4'-P-C4' energy: -19.533
flat angles P-C4'-P energy: -21.049
tors. eta vs tors. theta energy: -26.495
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -390.120057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.120057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.720057 (E_RNA)
where:
Base-Base interactions energy: -231.467
where: short stacking energy: -86.519
Base-Backbone interact. energy: -0.463
local terms energy: -107.789539
where:
bonds (distance) C4'-P energy: -24.905
bonds (distance) P-C4' energy: -24.812
flat angles C4'-P-C4' energy: -22.592
flat angles P-C4'-P energy: -11.737
tors. eta vs tors. theta energy: -23.744
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -397.857222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.857222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.457222 (E_RNA)
where:
Base-Base interactions energy: -242.149
where: short stacking energy: -96.096
Base-Backbone interact. energy: -0.382
local terms energy: -104.926214
where:
bonds (distance) C4'-P energy: -21.804
bonds (distance) P-C4' energy: -23.411
flat angles C4'-P-C4' energy: -21.159
flat angles P-C4'-P energy: -12.388
tors. eta vs tors. theta energy: -26.165
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -395.856200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.856200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.056200 (E_RNA)
where:
Base-Base interactions energy: -242.641
where: short stacking energy: -89.959
Base-Backbone interact. energy: -1.173
local terms energy: -105.242329
where:
bonds (distance) C4'-P energy: -17.318
bonds (distance) P-C4' energy: -21.728
flat angles C4'-P-C4' energy: -24.703
flat angles P-C4'-P energy: -17.758
tors. eta vs tors. theta energy: -23.736
Dist. restrs. and SS energy: -46.800 (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: 7
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -335.391892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.391892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.991892 (E_RNA)
where:
Base-Base interactions energy: -183.147
where: short stacking energy: -74.156
Base-Backbone interact. energy: -0.550
local terms energy: -101.295423
where:
bonds (distance) C4'-P energy: -23.347
bonds (distance) P-C4' energy: -25.117
flat angles C4'-P-C4' energy: -19.881
flat angles P-C4'-P energy: -17.816
tors. eta vs tors. theta energy: -15.135
Dist. restrs. and SS energy: -50.400 (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: 334
Temperature: 1.150000
Total energy: -293.892742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.892742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.692742 (E_RNA)
where:
Base-Base interactions energy: -160.482
where: short stacking energy: -70.079
Base-Backbone interact. energy: 0.066
local terms energy: -99.276738
where:
bonds (distance) C4'-P energy: -23.613
bonds (distance) P-C4' energy: -21.377
flat angles C4'-P-C4' energy: -23.202
flat angles P-C4'-P energy: -15.163
tors. eta vs tors. theta energy: -15.923
Dist. restrs. and SS energy: -34.200 (S_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: 334
Temperature: 1.200000
Total energy: -275.562127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.562127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.562127 (E_RNA)
where:
Base-Base interactions energy: -140.887
where: short stacking energy: -70.534
Base-Backbone interact. energy: -0.176
local terms energy: -98.498513
where:
bonds (distance) C4'-P energy: -25.728
bonds (distance) P-C4' energy: -22.355
flat angles C4'-P-C4' energy: -15.800
flat angles P-C4'-P energy: -15.709
tors. eta vs tors. theta energy: -18.907
Dist. restrs. and SS energy: -36.000 (S_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: 334
Temperature: 1.250000
Total energy: -277.181223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.181223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.181223 (E_RNA)
where:
Base-Base interactions energy: -150.316
where: short stacking energy: -58.774
Base-Backbone interact. energy: 1.896
local terms energy: -92.760469
where:
bonds (distance) C4'-P energy: -23.651
bonds (distance) P-C4' energy: -19.892
flat angles C4'-P-C4' energy: -21.549
flat angles P-C4'-P energy: -12.761
tors. eta vs tors. theta energy: -14.908
Dist. restrs. and SS energy: -36.000 (S_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: 334
Temperature: 1.300000
Total energy: -268.812549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.812549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.812549 (E_RNA)
where:
Base-Base interactions energy: -145.740
where: short stacking energy: -60.547
Base-Backbone interact. energy: -0.397
local terms energy: -86.675608
where:
bonds (distance) C4'-P energy: -17.191
bonds (distance) P-C4' energy: -21.466
flat angles C4'-P-C4' energy: -22.639
flat angles P-C4'-P energy: -20.949
tors. eta vs tors. theta energy: -4.430
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -259.877795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.877795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.877795 (E_RNA)
where:
Base-Base interactions energy: -143.416
where: short stacking energy: -57.568
Base-Backbone interact. energy: -0.906
local terms energy: -79.555293
where:
bonds (distance) C4'-P energy: -24.342
bonds (distance) P-C4' energy: -18.349
flat angles C4'-P-C4' energy: -19.975
flat angles P-C4'-P energy: -9.144
tors. eta vs tors. theta energy: -7.745
Dist. restrs. and SS energy: -36.000 (S_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: 335
Temperature: 0.900000
Total energy: -420.872283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.872283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.472283 (E_RNA)
where:
Base-Base interactions energy: -256.792
where: short stacking energy: -104.015
Base-Backbone interact. energy: -0.347
local terms energy: -113.333387
where:
bonds (distance) C4'-P energy: -23.493
bonds (distance) P-C4' energy: -22.455
flat angles C4'-P-C4' energy: -24.210
flat angles P-C4'-P energy: -16.261
tors. eta vs tors. theta energy: -26.914
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -407.625963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.625963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.225963 (E_RNA)
where:
Base-Base interactions energy: -242.155
where: short stacking energy: -105.815
Base-Backbone interact. energy: -0.694
local terms energy: -114.376925
where:
bonds (distance) C4'-P energy: -24.600
bonds (distance) P-C4' energy: -20.069
flat angles C4'-P-C4' energy: -23.435
flat angles P-C4'-P energy: -16.373
tors. eta vs tors. theta energy: -29.900
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -398.809872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.809872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.209872 (E_RNA)
where:
Base-Base interactions energy: -239.238
where: short stacking energy: -87.344
Base-Backbone interact. energy: -0.426
local terms energy: -110.545467
where:
bonds (distance) C4'-P energy: -19.113
bonds (distance) P-C4' energy: -27.256
flat angles C4'-P-C4' energy: -19.471
flat angles P-C4'-P energy: -18.726
tors. eta vs tors. theta energy: -25.980
Dist. restrs. and SS energy: -48.600 (S_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: 335
Temperature: 1.050000
Total energy: -382.007259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.007259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.607259 (E_RNA)
where:
Base-Base interactions energy: -226.853
where: short stacking energy: -96.739
Base-Backbone interact. energy: -0.322
local terms energy: -104.432137
where:
bonds (distance) C4'-P energy: -27.116
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -23.757
flat angles P-C4'-P energy: -13.204
tors. eta vs tors. theta energy: -24.426
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -341.069132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.069132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.669132 (E_RNA)
where:
Base-Base interactions energy: -195.714
where: short stacking energy: -78.526
Base-Backbone interact. energy: -0.626
local terms energy: -94.329129
where:
bonds (distance) C4'-P energy: -23.730
bonds (distance) P-C4' energy: -21.756
flat angles C4'-P-C4' energy: -21.149
flat angles P-C4'-P energy: -11.149
tors. eta vs tors. theta energy: -16.545
Dist. restrs. and SS energy: -50.400 (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: 335
Temperature: 1.150000
Total energy: -274.119017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.119017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.119017 (E_RNA)
where:
Base-Base interactions energy: -151.621
where: short stacking energy: -62.214
Base-Backbone interact. energy: 2.521
local terms energy: -89.019389
where:
bonds (distance) C4'-P energy: -17.882
bonds (distance) P-C4' energy: -23.710
flat angles C4'-P-C4' energy: -22.829
flat angles P-C4'-P energy: -14.519
tors. eta vs tors. theta energy: -10.079
Dist. restrs. and SS energy: -36.000 (S_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: 335
Temperature: 1.200000
Total energy: -274.495094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.495094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.495094 (E_RNA)
where:
Base-Base interactions energy: -152.494
where: short stacking energy: -78.058
Base-Backbone interact. energy: 1.749
local terms energy: -87.750395
where:
bonds (distance) C4'-P energy: -23.883
bonds (distance) P-C4' energy: -19.768
flat angles C4'-P-C4' energy: -14.098
flat angles P-C4'-P energy: -11.184
tors. eta vs tors. theta energy: -18.818
Dist. restrs. and SS energy: -36.000 (S_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: 335
Temperature: 1.250000
Total energy: -264.528712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.528712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.528712 (E_RNA)
where:
Base-Base interactions energy: -140.667
where: short stacking energy: -69.184
Base-Backbone interact. energy: -0.721
local terms energy: -87.140659
where:
bonds (distance) C4'-P energy: -23.795
bonds (distance) P-C4' energy: -20.009
flat angles C4'-P-C4' energy: -12.421
flat angles P-C4'-P energy: -12.380
tors. eta vs tors. theta energy: -18.536
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -269.535650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.535650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.535650 (E_RNA)
where:
Base-Base interactions energy: -159.919
where: short stacking energy: -74.808
Base-Backbone interact. energy: -0.005
local terms energy: -73.612046
where:
bonds (distance) C4'-P energy: -17.632
bonds (distance) P-C4' energy: -13.749
flat angles C4'-P-C4' energy: -19.132
flat angles P-C4'-P energy: -10.939
tors. eta vs tors. theta energy: -12.160
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -244.431698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.431698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.431698 (E_RNA)
where:
Base-Base interactions energy: -125.296
where: short stacking energy: -44.423
Base-Backbone interact. energy: -0.061
local terms energy: -83.074930
where:
bonds (distance) C4'-P energy: -22.686
bonds (distance) P-C4' energy: -22.734
flat angles C4'-P-C4' energy: -11.064
flat angles P-C4'-P energy: -14.508
tors. eta vs tors. theta energy: -12.084
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -417.195950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.195950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.795950 (E_RNA)
where:
Base-Base interactions energy: -250.011
where: short stacking energy: -102.708
Base-Backbone interact. energy: -0.684
local terms energy: -116.101515
where:
bonds (distance) C4'-P energy: -19.082
bonds (distance) P-C4' energy: -25.714
flat angles C4'-P-C4' energy: -25.350
flat angles P-C4'-P energy: -18.082
tors. eta vs tors. theta energy: -27.875
Dist. restrs. and SS energy: -50.400 (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: 8
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -406.126344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.126344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.726344 (E_RNA)
where:
Base-Base interactions energy: -252.142
where: short stacking energy: -102.056
Base-Backbone interact. energy: -0.197
local terms energy: -103.386735
where:
bonds (distance) C4'-P energy: -17.482
bonds (distance) P-C4' energy: -22.298
flat angles C4'-P-C4' energy: -21.676
flat angles P-C4'-P energy: -15.036
tors. eta vs tors. theta energy: -26.894
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -412.759947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.759947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.359947 (E_RNA)
where:
Base-Base interactions energy: -246.774
where: short stacking energy: -101.330
Base-Backbone interact. energy: 0.072
local terms energy: -115.657939
where:
bonds (distance) C4'-P energy: -23.781
bonds (distance) P-C4' energy: -22.028
flat angles C4'-P-C4' energy: -23.416
flat angles P-C4'-P energy: -15.833
tors. eta vs tors. theta energy: -30.600
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -384.480676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.480676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.080676 (E_RNA)
where:
Base-Base interactions energy: -233.494
where: short stacking energy: -97.689
Base-Backbone interact. energy: 0.834
local terms energy: -101.420605
where:
bonds (distance) C4'-P energy: -19.228
bonds (distance) P-C4' energy: -19.469
flat angles C4'-P-C4' energy: -23.702
flat angles P-C4'-P energy: -15.804
tors. eta vs tors. theta energy: -23.218
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -338.860467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.860467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.460467 (E_RNA)
where:
Base-Base interactions energy: -191.446
where: short stacking energy: -80.948
Base-Backbone interact. energy: -0.166
local terms energy: -96.848701
where:
bonds (distance) C4'-P energy: -18.099
bonds (distance) P-C4' energy: -23.105
flat angles C4'-P-C4' energy: -21.575
flat angles P-C4'-P energy: -17.050
tors. eta vs tors. theta energy: -17.020
Dist. restrs. and SS energy: -50.400 (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: 336
Temperature: 1.150000
Total energy: -299.013398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.013398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.013398 (E_RNA)
where:
Base-Base interactions energy: -178.359
where: short stacking energy: -69.888
Base-Backbone interact. energy: -0.269
local terms energy: -84.384964
where:
bonds (distance) C4'-P energy: -14.475
bonds (distance) P-C4' energy: -21.105
flat angles C4'-P-C4' energy: -22.661
flat angles P-C4'-P energy: -14.063
tors. eta vs tors. theta energy: -12.081
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -293.807679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.807679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.807679 (E_RNA)
where:
Base-Base interactions energy: -158.571
where: short stacking energy: -74.048
Base-Backbone interact. energy: -0.167
local terms energy: -99.070106
where:
bonds (distance) C4'-P energy: -17.479
bonds (distance) P-C4' energy: -24.358
flat angles C4'-P-C4' energy: -23.088
flat angles P-C4'-P energy: -15.520
tors. eta vs tors. theta energy: -18.625
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -267.817688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.817688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.617688 (E_RNA)
where:
Base-Base interactions energy: -151.364
where: short stacking energy: -61.403
Base-Backbone interact. energy: -0.274
local terms energy: -81.979647
where:
bonds (distance) C4'-P energy: -15.859
bonds (distance) P-C4' energy: -16.616
flat angles C4'-P-C4' energy: -19.293
flat angles P-C4'-P energy: -15.916
tors. eta vs tors. theta energy: -14.295
Dist. restrs. and SS energy: -34.200 (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: 9
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -264.001235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.001235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.801235 (E_RNA)
where:
Base-Base interactions energy: -143.901
where: short stacking energy: -74.281
Base-Backbone interact. energy: -0.445
local terms energy: -85.455593
where:
bonds (distance) C4'-P energy: -17.050
bonds (distance) P-C4' energy: -18.431
flat angles C4'-P-C4' energy: -22.609
flat angles P-C4'-P energy: -13.130
tors. eta vs tors. theta energy: -14.235
Dist. restrs. and SS energy: -34.200 (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: 6
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -253.475500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.475500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.475500 (E_RNA)
where:
Base-Base interactions energy: -141.327
where: short stacking energy: -49.421
Base-Backbone interact. energy: -0.195
local terms energy: -75.953468
where:
bonds (distance) C4'-P energy: -24.753
bonds (distance) P-C4' energy: -17.981
flat angles C4'-P-C4' energy: -19.034
flat angles P-C4'-P energy: -9.030
tors. eta vs tors. theta energy: -5.156
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -418.241839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.241839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.841839 (E_RNA)
where:
Base-Base interactions energy: -260.909
where: short stacking energy: -89.102
Base-Backbone interact. energy: -0.688
local terms energy: -106.244916
where:
bonds (distance) C4'-P energy: -20.860
bonds (distance) P-C4' energy: -20.012
flat angles C4'-P-C4' energy: -22.342
flat angles P-C4'-P energy: -15.084
tors. eta vs tors. theta energy: -27.947
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -405.353238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.353238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.953238 (E_RNA)
where:
Base-Base interactions energy: -234.479
where: short stacking energy: -91.066
Base-Backbone interact. energy: -0.840
local terms energy: -119.634130
where:
bonds (distance) C4'-P energy: -24.548
bonds (distance) P-C4' energy: -22.949
flat angles C4'-P-C4' energy: -24.622
flat angles P-C4'-P energy: -18.274
tors. eta vs tors. theta energy: -29.240
Dist. restrs. and SS energy: -50.400 (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: 337
Temperature: 1.000000
Total energy: -408.615438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.615438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.015438 (E_RNA)
where:
Base-Base interactions energy: -249.439
where: short stacking energy: -106.542
Base-Backbone interact. energy: -0.532
local terms energy: -110.044880
where:
bonds (distance) C4'-P energy: -18.490
bonds (distance) P-C4' energy: -21.397
flat angles C4'-P-C4' energy: -23.457
flat angles P-C4'-P energy: -15.139
tors. eta vs tors. theta energy: -31.561
Dist. restrs. and SS energy: -48.600 (S_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: 337
Temperature: 1.050000
Total energy: -379.922266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.922266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.322266 (E_RNA)
where:
Base-Base interactions energy: -221.901
where: short stacking energy: -87.420
Base-Backbone interact. energy: -1.309
local terms energy: -108.112623
where:
bonds (distance) C4'-P energy: -23.018
bonds (distance) P-C4' energy: -24.096
flat angles C4'-P-C4' energy: -19.219
flat angles P-C4'-P energy: -15.902
tors. eta vs tors. theta energy: -25.877
Dist. restrs. and SS energy: -48.600 (S_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: 337
Temperature: 1.100000
Total energy: -343.904696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.904696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.504696 (E_RNA)
where:
Base-Base interactions energy: -196.403
where: short stacking energy: -80.381
Base-Backbone interact. energy: -0.148
local terms energy: -96.953011
where:
bonds (distance) C4'-P energy: -25.471
bonds (distance) P-C4' energy: -23.059
flat angles C4'-P-C4' energy: -18.679
flat angles P-C4'-P energy: -11.226
tors. eta vs tors. theta energy: -18.518
Dist. restrs. and SS energy: -50.400 (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: 4
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -303.171724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.171724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.171724 (E_RNA)
where:
Base-Base interactions energy: -165.037
where: short stacking energy: -91.787
Base-Backbone interact. energy: -1.143
local terms energy: -100.991750
where:
bonds (distance) C4'-P energy: -22.194
bonds (distance) P-C4' energy: -20.383
flat angles C4'-P-C4' energy: -25.142
flat angles P-C4'-P energy: -11.504
tors. eta vs tors. theta energy: -21.769
Dist. restrs. and SS energy: -36.000 (S_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: 337
Temperature: 1.200000
Total energy: -266.274232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.274232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.274232 (E_RNA)
where:
Base-Base interactions energy: -154.293
where: short stacking energy: -64.509
Base-Backbone interact. energy: -0.754
local terms energy: -75.227432
where:
bonds (distance) C4'-P energy: -17.627
bonds (distance) P-C4' energy: -18.426
flat angles C4'-P-C4' energy: -21.104
flat angles P-C4'-P energy: -7.798
tors. eta vs tors. theta energy: -10.272
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -271.965745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.965745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.965745 (E_RNA)
where:
Base-Base interactions energy: -153.430
where: short stacking energy: -66.646
Base-Backbone interact. energy: -0.359
local terms energy: -82.176959
where:
bonds (distance) C4'-P energy: -20.362
bonds (distance) P-C4' energy: -17.355
flat angles C4'-P-C4' energy: -22.745
flat angles P-C4'-P energy: -8.991
tors. eta vs tors. theta energy: -12.724
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -262.831265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.831265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.831265 (E_RNA)
where:
Base-Base interactions energy: -151.211
where: short stacking energy: -55.673
Base-Backbone interact. energy: -1.199
local terms energy: -74.421735
where:
bonds (distance) C4'-P energy: -17.950
bonds (distance) P-C4' energy: -12.158
flat angles C4'-P-C4' energy: -19.224
flat angles P-C4'-P energy: -11.442
tors. eta vs tors. theta energy: -13.649
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -253.040352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.040352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.040352 (E_RNA)
where:
Base-Base interactions energy: -127.916
where: short stacking energy: -51.878
Base-Backbone interact. energy: 1.616
local terms energy: -90.740298
where:
bonds (distance) C4'-P energy: -17.215
bonds (distance) P-C4' energy: -23.339
flat angles C4'-P-C4' energy: -22.636
flat angles P-C4'-P energy: -14.648
tors. eta vs tors. theta energy: -12.901
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -424.797412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.797412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.397412 (E_RNA)
where:
Base-Base interactions energy: -260.574
where: short stacking energy: -107.558
Base-Backbone interact. energy: -1.537
local terms energy: -112.286624
where:
bonds (distance) C4'-P energy: -23.200
bonds (distance) P-C4' energy: -24.578
flat angles C4'-P-C4' energy: -23.541
flat angles P-C4'-P energy: -14.417
tors. eta vs tors. theta energy: -26.551
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -408.909008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.909008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.509008 (E_RNA)
where:
Base-Base interactions energy: -247.383
where: short stacking energy: -88.883
Base-Backbone interact. energy: -0.216
local terms energy: -110.909633
where:
bonds (distance) C4'-P energy: -23.415
bonds (distance) P-C4' energy: -23.944
flat angles C4'-P-C4' energy: -18.400
flat angles P-C4'-P energy: -17.651
tors. eta vs tors. theta energy: -27.500
Dist. restrs. and SS energy: -50.400 (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: 338
Temperature: 1.000000
Total energy: -399.419291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.419291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.019291 (E_RNA)
where:
Base-Base interactions energy: -240.518
where: short stacking energy: -90.794
Base-Backbone interact. energy: -0.880
local terms energy: -107.620851
where:
bonds (distance) C4'-P energy: -22.977
bonds (distance) P-C4' energy: -23.274
flat angles C4'-P-C4' energy: -19.727
flat angles P-C4'-P energy: -14.118
tors. eta vs tors. theta energy: -27.524
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -366.887723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.887723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.487723 (E_RNA)
where:
Base-Base interactions energy: -217.361
where: short stacking energy: -89.315
Base-Backbone interact. energy: -0.286
local terms energy: -98.840944
where:
bonds (distance) C4'-P energy: -21.209
bonds (distance) P-C4' energy: -18.515
flat angles C4'-P-C4' energy: -22.849
flat angles P-C4'-P energy: -14.745
tors. eta vs tors. theta energy: -21.523
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -333.671769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.671769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.071769 (E_RNA)
where:
Base-Base interactions energy: -190.225
where: short stacking energy: -75.073
Base-Backbone interact. energy: -1.168
local terms energy: -93.678543
where:
bonds (distance) C4'-P energy: -21.783
bonds (distance) P-C4' energy: -22.486
flat angles C4'-P-C4' energy: -16.118
flat angles P-C4'-P energy: -13.089
tors. eta vs tors. theta energy: -20.202
Dist. restrs. and SS energy: -48.600 (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: 4
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -293.518386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.518386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.518386 (E_RNA)
where:
Base-Base interactions energy: -162.392
where: short stacking energy: -79.429
Base-Backbone interact. energy: -0.238
local terms energy: -94.888959
where:
bonds (distance) C4'-P energy: -16.956
bonds (distance) P-C4' energy: -17.966
flat angles C4'-P-C4' energy: -20.233
flat angles P-C4'-P energy: -16.899
tors. eta vs tors. theta energy: -22.835
Dist. restrs. and SS energy: -36.000 (S_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: 338
Temperature: 1.200000
Total energy: -287.583668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.583668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.583668 (E_RNA)
where:
Base-Base interactions energy: -162.788
where: short stacking energy: -76.437
Base-Backbone interact. energy: -0.078
local terms energy: -88.716860
where:
bonds (distance) C4'-P energy: -17.319
bonds (distance) P-C4' energy: -17.311
flat angles C4'-P-C4' energy: -21.454
flat angles P-C4'-P energy: -14.640
tors. eta vs tors. theta energy: -17.992
Dist. restrs. and SS energy: -36.000 (S_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: 338
Temperature: 1.250000
Total energy: -267.167878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.167878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.167878 (E_RNA)
where:
Base-Base interactions energy: -146.584
where: short stacking energy: -62.068
Base-Backbone interact. energy: -0.346
local terms energy: -84.237227
where:
bonds (distance) C4'-P energy: -16.500
bonds (distance) P-C4' energy: -17.629
flat angles C4'-P-C4' energy: -22.878
flat angles P-C4'-P energy: -13.972
tors. eta vs tors. theta energy: -13.258
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -260.060364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.060364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.860364 (E_RNA)
where:
Base-Base interactions energy: -144.273
where: short stacking energy: -64.283
Base-Backbone interact. energy: -0.668
local terms energy: -80.919851
where:
bonds (distance) C4'-P energy: -18.229
bonds (distance) P-C4' energy: -20.550
flat angles C4'-P-C4' energy: -23.645
flat angles P-C4'-P energy: -8.466
tors. eta vs tors. theta energy: -10.030
Dist. restrs. and SS energy: -34.200 (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: 3
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -279.481883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.481883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.081883 (E_RNA)
where:
Base-Base interactions energy: -154.657
where: short stacking energy: -58.258
Base-Backbone interact. energy: -0.369
local terms energy: -92.055624
where:
bonds (distance) C4'-P energy: -24.259
bonds (distance) P-C4' energy: -21.793
flat angles C4'-P-C4' energy: -18.330
flat angles P-C4'-P energy: -13.450
tors. eta vs tors. theta energy: -14.224
Dist. restrs. and SS energy: -32.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -415.902225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.902225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.502225 (E_RNA)
where:
Base-Base interactions energy: -252.973
where: short stacking energy: -104.197
Base-Backbone interact. energy: -0.803
local terms energy: -111.726346
where:
bonds (distance) C4'-P energy: -22.239
bonds (distance) P-C4' energy: -22.978
flat angles C4'-P-C4' energy: -23.477
flat angles P-C4'-P energy: -12.621
tors. eta vs tors. theta energy: -30.412
Dist. restrs. and SS energy: -50.400 (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: 8
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -421.519307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.519307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.919307 (E_RNA)
where:
Base-Base interactions energy: -261.572
where: short stacking energy: -100.655
Base-Backbone interact. energy: 0.105
local terms energy: -111.452412
where:
bonds (distance) C4'-P energy: -20.969
bonds (distance) P-C4' energy: -22.511
flat angles C4'-P-C4' energy: -22.039
flat angles P-C4'-P energy: -20.626
tors. eta vs tors. theta energy: -25.307
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. 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: -397.735231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.735231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.335231 (E_RNA)
where:
Base-Base interactions energy: -250.357
where: short stacking energy: -97.693
Base-Backbone interact. energy: -0.919
local terms energy: -96.059165
where:
bonds (distance) C4'-P energy: -20.038
bonds (distance) P-C4' energy: -13.966
flat angles C4'-P-C4' energy: -20.183
flat angles P-C4'-P energy: -12.287
tors. eta vs tors. theta energy: -29.586
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -357.032471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.032471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.632471 (E_RNA)
where:
Base-Base interactions energy: -212.009
where: short stacking energy: -82.406
Base-Backbone interact. energy: 0.791
local terms energy: -95.414222
where:
bonds (distance) C4'-P energy: -22.061
bonds (distance) P-C4' energy: -17.842
flat angles C4'-P-C4' energy: -21.107
flat angles P-C4'-P energy: -12.788
tors. eta vs tors. theta energy: -21.615
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -356.215685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.215685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.815685 (E_RNA)
where:
Base-Base interactions energy: -216.271
where: short stacking energy: -85.969
Base-Backbone interact. energy: 0.252
local terms energy: -89.797140
where:
bonds (distance) C4'-P energy: -20.368
bonds (distance) P-C4' energy: -18.573
flat angles C4'-P-C4' energy: -18.709
flat angles P-C4'-P energy: -9.695
tors. eta vs tors. theta energy: -22.452
Dist. restrs. and SS energy: -50.400 (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: 339
Temperature: 1.150000
Total energy: -284.319537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.319537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.319537 (E_RNA)
where:
Base-Base interactions energy: -157.404
where: short stacking energy: -78.513
Base-Backbone interact. energy: 0.204
local terms energy: -91.119469
where:
bonds (distance) C4'-P energy: -16.380
bonds (distance) P-C4' energy: -22.733
flat angles C4'-P-C4' energy: -16.427
flat angles P-C4'-P energy: -19.509
tors. eta vs tors. theta energy: -16.070
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -303.100434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.100434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.100434 (E_RNA)
where:
Base-Base interactions energy: -166.474
where: short stacking energy: -82.861
Base-Backbone interact. energy: -1.695
local terms energy: -98.931605
where:
bonds (distance) C4'-P energy: -20.333
bonds (distance) P-C4' energy: -22.570
flat angles C4'-P-C4' energy: -22.378
flat angles P-C4'-P energy: -12.262
tors. eta vs tors. theta energy: -21.390
Dist. restrs. and SS energy: -36.000 (S_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: 339
Temperature: 1.250000
Total energy: -270.229452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.229452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.229452 (E_RNA)
where:
Base-Base interactions energy: -147.548
where: short stacking energy: -69.493
Base-Backbone interact. energy: -0.063
local terms energy: -86.618284
where:
bonds (distance) C4'-P energy: -17.660
bonds (distance) P-C4' energy: -16.867
flat angles C4'-P-C4' energy: -19.886
flat angles P-C4'-P energy: -15.942
tors. eta vs tors. theta energy: -16.263
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -252.191346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.191346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.191346 (E_RNA)
where:
Base-Base interactions energy: -133.944
where: short stacking energy: -65.576
Base-Backbone interact. energy: -0.202
local terms energy: -82.045842
where:
bonds (distance) C4'-P energy: -20.889
bonds (distance) P-C4' energy: -19.783
flat angles C4'-P-C4' energy: -16.759
flat angles P-C4'-P energy: -15.561
tors. eta vs tors. theta energy: -9.054
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -269.976637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.976637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.976637 (E_RNA)
where:
Base-Base interactions energy: -157.482
where: short stacking energy: -72.390
Base-Backbone interact. energy: -0.668
local terms energy: -75.825821
where:
bonds (distance) C4'-P energy: -11.917
bonds (distance) P-C4' energy: -16.334
flat angles C4'-P-C4' energy: -18.728
flat angles P-C4'-P energy: -9.403
tors. eta vs tors. theta energy: -19.444
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -422.901729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.901729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.501729 (E_RNA)
where:
Base-Base interactions energy: -255.050
where: short stacking energy: -93.840
Base-Backbone interact. energy: -0.396
local terms energy: -117.056161
where:
bonds (distance) C4'-P energy: -19.742
bonds (distance) P-C4' energy: -25.114
flat angles C4'-P-C4' energy: -23.534
flat angles P-C4'-P energy: -20.426
tors. eta vs tors. theta energy: -28.240
Dist. restrs. and SS energy: -50.400 (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: 8
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -403.727958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.727958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.327958 (E_RNA)
where:
Base-Base interactions energy: -255.073
where: short stacking energy: -91.551
Base-Backbone interact. energy: 0.693
local terms energy: -98.947601
where:
bonds (distance) C4'-P energy: -15.967
bonds (distance) P-C4' energy: -22.254
flat angles C4'-P-C4' energy: -21.595
flat angles P-C4'-P energy: -16.755
tors. eta vs tors. theta energy: -22.378
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -399.744905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.744905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.344905 (E_RNA)
where:
Base-Base interactions energy: -238.356
where: short stacking energy: -92.552
Base-Backbone interact. energy: -0.502
local terms energy: -110.486540
where:
bonds (distance) C4'-P energy: -22.297
bonds (distance) P-C4' energy: -20.959
flat angles C4'-P-C4' energy: -23.417
flat angles P-C4'-P energy: -16.790
tors. eta vs tors. theta energy: -27.023
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -374.031088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.031088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.631088 (E_RNA)
where:
Base-Base interactions energy: -225.886
where: short stacking energy: -76.811
Base-Backbone interact. energy: -0.742
local terms energy: -97.002682
where:
bonds (distance) C4'-P energy: -22.441
bonds (distance) P-C4' energy: -16.824
flat angles C4'-P-C4' energy: -22.453
flat angles P-C4'-P energy: -16.907
tors. eta vs tors. theta energy: -18.378
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -353.536825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.536825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.136825 (E_RNA)
where:
Base-Base interactions energy: -219.118
where: short stacking energy: -83.623
Base-Backbone interact. energy: -1.103
local terms energy: -82.915709
where:
bonds (distance) C4'-P energy: -15.278
bonds (distance) P-C4' energy: -16.387
flat angles C4'-P-C4' energy: -18.937
flat angles P-C4'-P energy: -14.383
tors. eta vs tors. theta energy: -17.931
Dist. restrs. and SS energy: -50.400 (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: 340
Temperature: 1.150000
Total energy: -292.243043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.243043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.243043 (E_RNA)
where:
Base-Base interactions energy: -166.385
where: short stacking energy: -75.700
Base-Backbone interact. energy: -0.036
local terms energy: -89.821695
where:
bonds (distance) C4'-P energy: -17.847
bonds (distance) P-C4' energy: -15.830
flat angles C4'-P-C4' energy: -19.674
flat angles P-C4'-P energy: -18.602
tors. eta vs tors. theta energy: -17.868
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. 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: -293.795474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.795474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.595474 (E_RNA)
where:
Base-Base interactions energy: -168.001
where: short stacking energy: -82.850
Base-Backbone interact. energy: -0.143
local terms energy: -91.451614
where:
bonds (distance) C4'-P energy: -23.792
bonds (distance) P-C4' energy: -19.089
flat angles C4'-P-C4' energy: -22.815
flat angles P-C4'-P energy: -11.598
tors. eta vs tors. theta energy: -14.158
Dist. restrs. and SS energy: -34.200 (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: 9
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -265.435221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.435221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.435221 (E_RNA)
where:
Base-Base interactions energy: -139.016
where: short stacking energy: -62.808
Base-Backbone interact. energy: -0.317
local terms energy: -90.102152
where:
bonds (distance) C4'-P energy: -24.706
bonds (distance) P-C4' energy: -22.008
flat angles C4'-P-C4' energy: -15.603
flat angles P-C4'-P energy: -12.012
tors. eta vs tors. theta energy: -15.773
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -254.605914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.605914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.605914 (E_RNA)
where:
Base-Base interactions energy: -127.124
where: short stacking energy: -55.320
Base-Backbone interact. energy: -0.781
local terms energy: -90.700883
where:
bonds (distance) C4'-P energy: -21.492
bonds (distance) P-C4' energy: -23.312
flat angles C4'-P-C4' energy: -23.115
flat angles P-C4'-P energy: -8.990
tors. eta vs tors. theta energy: -13.793
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -257.697423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.697423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.697423 (E_RNA)
where:
Base-Base interactions energy: -146.951
where: short stacking energy: -49.153
Base-Backbone interact. energy: -0.487
local terms energy: -74.260118
where:
bonds (distance) C4'-P energy: -21.341
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -18.044
flat angles P-C4'-P energy: -12.121
tors. eta vs tors. theta energy: -6.991
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -418.298264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.298264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.898264 (E_RNA)
where:
Base-Base interactions energy: -250.041
where: short stacking energy: -96.288
Base-Backbone interact. energy: -0.822
local terms energy: -117.035210
where:
bonds (distance) C4'-P energy: -21.511
bonds (distance) P-C4' energy: -27.806
flat angles C4'-P-C4' energy: -22.142
flat angles P-C4'-P energy: -16.856
tors. eta vs tors. theta energy: -28.721
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -413.059417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.059417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.459417 (E_RNA)
where:
Base-Base interactions energy: -246.648
where: short stacking energy: -99.554
Base-Backbone interact. energy: -1.330
local terms energy: -116.481562
where:
bonds (distance) C4'-P energy: -23.434
bonds (distance) P-C4' energy: -25.625
flat angles C4'-P-C4' energy: -25.488
flat angles P-C4'-P energy: -13.495
tors. eta vs tors. theta energy: -28.440
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -398.377754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.377754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.977754 (E_RNA)
where:
Base-Base interactions energy: -249.924
where: short stacking energy: -91.417
Base-Backbone interact. energy: -1.147
local terms energy: -96.907233
where:
bonds (distance) C4'-P energy: -18.082
bonds (distance) P-C4' energy: -18.085
flat angles C4'-P-C4' energy: -25.306
flat angles P-C4'-P energy: -13.778
tors. eta vs tors. theta energy: -21.656
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -372.822654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.822654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.422654 (E_RNA)
where:
Base-Base interactions energy: -218.051
where: short stacking energy: -84.736
Base-Backbone interact. energy: -0.470
local terms energy: -103.901243
where:
bonds (distance) C4'-P energy: -18.318
bonds (distance) P-C4' energy: -22.753
flat angles C4'-P-C4' energy: -20.692
flat angles P-C4'-P energy: -12.571
tors. eta vs tors. theta energy: -29.567
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -349.158879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.158879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.758879 (E_RNA)
where:
Base-Base interactions energy: -199.945
where: short stacking energy: -83.799
Base-Backbone interact. energy: -0.348
local terms energy: -98.466070
where:
bonds (distance) C4'-P energy: -17.957
bonds (distance) P-C4' energy: -17.689
flat angles C4'-P-C4' energy: -23.250
flat angles P-C4'-P energy: -19.023
tors. eta vs tors. theta energy: -20.548
Dist. restrs. and SS energy: -50.400 (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: 341
Temperature: 1.150000
Total energy: -297.588755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.588755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.588755 (E_RNA)
where:
Base-Base interactions energy: -163.091
where: short stacking energy: -79.912
Base-Backbone interact. energy: -0.126
local terms energy: -98.371677
where:
bonds (distance) C4'-P energy: -18.761
bonds (distance) P-C4' energy: -19.413
flat angles C4'-P-C4' energy: -19.584
flat angles P-C4'-P energy: -14.990
tors. eta vs tors. theta energy: -25.625
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -292.417085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.417085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.417085 (E_RNA)
where:
Base-Base interactions energy: -166.263
where: short stacking energy: -81.176
Base-Backbone interact. energy: -0.038
local terms energy: -90.115854
where:
bonds (distance) C4'-P energy: -15.422
bonds (distance) P-C4' energy: -22.165
flat angles C4'-P-C4' energy: -18.946
flat angles P-C4'-P energy: -16.682
tors. eta vs tors. theta energy: -16.900
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -265.092240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.092240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.892240 (E_RNA)
where:
Base-Base interactions energy: -140.469
where: short stacking energy: -71.190
Base-Backbone interact. energy: -0.081
local terms energy: -90.341922
where:
bonds (distance) C4'-P energy: -19.371
bonds (distance) P-C4' energy: -21.821
flat angles C4'-P-C4' energy: -22.834
flat angles P-C4'-P energy: -11.588
tors. eta vs tors. theta energy: -14.729
Dist. restrs. and SS energy: -34.200 (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: 9
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -287.957255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.957255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.957255 (E_RNA)
where:
Base-Base interactions energy: -153.945
where: short stacking energy: -68.283
Base-Backbone interact. energy: -0.084
local terms energy: -97.928788
where:
bonds (distance) C4'-P energy: -22.843
bonds (distance) P-C4' energy: -23.179
flat angles C4'-P-C4' energy: -20.904
flat angles P-C4'-P energy: -14.003
tors. eta vs tors. theta energy: -16.999
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -258.185907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.185907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.185907 (E_RNA)
where:
Base-Base interactions energy: -153.463
where: short stacking energy: -61.230
Base-Backbone interact. energy: -0.206
local terms energy: -68.517244
where:
bonds (distance) C4'-P energy: -18.149
bonds (distance) P-C4' energy: -22.545
flat angles C4'-P-C4' energy: -13.681
flat angles P-C4'-P energy: -6.681
tors. eta vs tors. theta energy: -7.461
Dist. restrs. and SS energy: -36.000 (S_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: -411.060346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.060346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.660346 (E_RNA)
where:
Base-Base interactions energy: -250.060
where: short stacking energy: -102.562
Base-Backbone interact. energy: -0.732
local terms energy: -109.868043
where:
bonds (distance) C4'-P energy: -20.464
bonds (distance) P-C4' energy: -21.640
flat angles C4'-P-C4' energy: -22.836
flat angles P-C4'-P energy: -16.269
tors. eta vs tors. theta energy: -28.660
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -409.663667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.663667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.063667 (E_RNA)
where:
Base-Base interactions energy: -254.874
where: short stacking energy: -93.827
Base-Backbone interact. energy: 0.068
local terms energy: -106.257644
where:
bonds (distance) C4'-P energy: -18.751
bonds (distance) P-C4' energy: -26.234
flat angles C4'-P-C4' energy: -23.139
flat angles P-C4'-P energy: -16.014
tors. eta vs tors. theta energy: -22.120
Dist. restrs. and SS energy: -48.600 (S_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: 342
Temperature: 1.000000
Total energy: -393.056371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.056371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.656371 (E_RNA)
where:
Base-Base interactions energy: -232.811
where: short stacking energy: -95.280
Base-Backbone interact. energy: -0.733
local terms energy: -109.112855
where:
bonds (distance) C4'-P energy: -20.830
bonds (distance) P-C4' energy: -20.067
flat angles C4'-P-C4' energy: -26.406
flat angles P-C4'-P energy: -13.711
tors. eta vs tors. theta energy: -28.098
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -395.411384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.411384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.011384 (E_RNA)
where:
Base-Base interactions energy: -232.596
where: short stacking energy: -95.023
Base-Backbone interact. energy: -0.867
local terms energy: -111.548691
where:
bonds (distance) C4'-P energy: -24.461
bonds (distance) P-C4' energy: -23.479
flat angles C4'-P-C4' energy: -20.480
flat angles P-C4'-P energy: -16.825
tors. eta vs tors. theta energy: -26.304
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -344.607977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.607977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.607977 (E_RNA)
where:
Base-Base interactions energy: -200.324
where: short stacking energy: -79.154
Base-Backbone interact. energy: -1.005
local terms energy: -98.278673
where:
bonds (distance) C4'-P energy: -25.167
bonds (distance) P-C4' energy: -23.439
flat angles C4'-P-C4' energy: -19.303
flat angles P-C4'-P energy: -12.636
tors. eta vs tors. theta energy: -17.733
Dist. restrs. and SS energy: -45.000 (S_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: 342
Temperature: 1.150000
Total energy: -303.329473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.329473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.929473 (E_RNA)
where:
Base-Base interactions energy: -161.397
where: short stacking energy: -80.291
Base-Backbone interact. energy: -0.126
local terms energy: -109.407245
where:
bonds (distance) C4'-P energy: -19.655
bonds (distance) P-C4' energy: -21.783
flat angles C4'-P-C4' energy: -23.538
flat angles P-C4'-P energy: -19.941
tors. eta vs tors. theta energy: -24.491
Dist. restrs. and SS energy: -32.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -292.047633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.047633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.047633 (E_RNA)
where:
Base-Base interactions energy: -149.187
where: short stacking energy: -70.566
Base-Backbone interact. energy: -0.186
local terms energy: -106.674513
where:
bonds (distance) C4'-P energy: -19.664
bonds (distance) P-C4' energy: -26.258
flat angles C4'-P-C4' energy: -23.189
flat angles P-C4'-P energy: -19.090
tors. eta vs tors. theta energy: -18.474
Dist. restrs. and SS energy: -36.000 (S_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: 342
Temperature: 1.250000
Total energy: -282.538161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.538161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.338161 (E_RNA)
where:
Base-Base interactions energy: -147.024
where: short stacking energy: -66.009
Base-Backbone interact. energy: -0.003
local terms energy: -101.311031
where:
bonds (distance) C4'-P energy: -20.183
bonds (distance) P-C4' energy: -21.602
flat angles C4'-P-C4' energy: -22.511
flat angles P-C4'-P energy: -15.312
tors. eta vs tors. theta energy: -21.703
Dist. restrs. and SS energy: -34.200 (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: 6
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -243.303716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.303716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.103716 (E_RNA)
where:
Base-Base interactions energy: -145.638
where: short stacking energy: -70.887
Base-Backbone interact. energy: -0.931
local terms energy: -62.534629
where:
bonds (distance) C4'-P energy: -16.381
bonds (distance) P-C4' energy: -18.519
flat angles C4'-P-C4' energy: -17.860
flat angles P-C4'-P energy: -5.454
tors. eta vs tors. theta energy: -4.321
Dist. restrs. and SS energy: -34.200 (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: 9
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -241.748553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.748553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.748553 (E_RNA)
where:
Base-Base interactions energy: -130.405
where: short stacking energy: -44.765
Base-Backbone interact. energy: 0.444
local terms energy: -75.787224
where:
bonds (distance) C4'-P energy: -25.253
bonds (distance) P-C4' energy: -18.304
flat angles C4'-P-C4' energy: -15.344
flat angles P-C4'-P energy: -13.614
tors. eta vs tors. theta energy: -3.272
Dist. restrs. and SS energy: -36.000 (S_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: -420.089761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.089761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.289761 (E_RNA)
where:
Base-Base interactions energy: -248.686
where: short stacking energy: -96.998
Base-Backbone interact. energy: -1.077
local terms energy: -123.527204
where:
bonds (distance) C4'-P energy: -25.034
bonds (distance) P-C4' energy: -26.662
flat angles C4'-P-C4' energy: -25.641
flat angles P-C4'-P energy: -16.055
tors. eta vs tors. theta energy: -30.135
Dist. restrs. and SS energy: -46.800 (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: 5
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -408.534428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.534428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.134428 (E_RNA)
where:
Base-Base interactions energy: -246.053
where: short stacking energy: -97.306
Base-Backbone interact. energy: -0.712
local terms energy: -111.369531
where:
bonds (distance) C4'-P energy: -19.895
bonds (distance) P-C4' energy: -24.559
flat angles C4'-P-C4' energy: -20.834
flat angles P-C4'-P energy: -17.780
tors. eta vs tors. theta energy: -28.302
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -398.978507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.978507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.978507 (E_RNA)
where:
Base-Base interactions energy: -252.669
where: short stacking energy: -94.006
Base-Backbone interact. energy: -1.704
local terms energy: -99.606177
where:
bonds (distance) C4'-P energy: -21.840
bonds (distance) P-C4' energy: -20.646
flat angles C4'-P-C4' energy: -22.912
flat angles P-C4'-P energy: -11.317
tors. eta vs tors. theta energy: -22.891
Dist. restrs. and SS energy: -45.000 (S_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: 343
Temperature: 1.050000
Total energy: -369.410991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.410991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.010991 (E_RNA)
where:
Base-Base interactions energy: -213.539
where: short stacking energy: -86.728
Base-Backbone interact. energy: -0.291
local terms energy: -105.181095
where:
bonds (distance) C4'-P energy: -23.871
bonds (distance) P-C4' energy: -17.176
flat angles C4'-P-C4' energy: -25.059
flat angles P-C4'-P energy: -16.490
tors. eta vs tors. theta energy: -22.585
Dist. restrs. and SS energy: -50.400 (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: 343
Temperature: 1.100000
Total energy: -391.124373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.124373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.724373 (E_RNA)
where:
Base-Base interactions energy: -240.012
where: short stacking energy: -92.817
Base-Backbone interact. energy: -0.972
local terms energy: -99.740523
where:
bonds (distance) C4'-P energy: -20.885
bonds (distance) P-C4' energy: -20.630
flat angles C4'-P-C4' energy: -18.508
flat angles P-C4'-P energy: -15.439
tors. eta vs tors. theta energy: -24.278
Dist. restrs. and SS energy: -50.400 (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: 343
Temperature: 1.150000
Total energy: -288.874331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.874331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.874331 (E_RNA)
where:
Base-Base interactions energy: -157.190
where: short stacking energy: -72.145
Base-Backbone interact. energy: 0.047
local terms energy: -95.731105
where:
bonds (distance) C4'-P energy: -20.677
bonds (distance) P-C4' energy: -26.753
flat angles C4'-P-C4' energy: -16.075
flat angles P-C4'-P energy: -14.200
tors. eta vs tors. theta energy: -18.026
Dist. restrs. and SS energy: -36.000 (S_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: 343
Temperature: 1.200000
Total energy: -292.473404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.473404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.273404 (E_RNA)
where:
Base-Base interactions energy: -160.928
where: short stacking energy: -68.193
Base-Backbone interact. energy: -0.777
local terms energy: -96.568136
where:
bonds (distance) C4'-P energy: -21.673
bonds (distance) P-C4' energy: -23.179
flat angles C4'-P-C4' energy: -23.084
flat angles P-C4'-P energy: -14.338
tors. eta vs tors. theta energy: -14.294
Dist. restrs. and SS energy: -34.200 (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: 343
Temperature: 1.250000
Total energy: -274.677830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.677830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.477830 (E_RNA)
where:
Base-Base interactions energy: -151.723
where: short stacking energy: -72.967
Base-Backbone interact. energy: -0.042
local terms energy: -88.712992
where:
bonds (distance) C4'-P energy: -22.549
bonds (distance) P-C4' energy: -19.663
flat angles C4'-P-C4' energy: -15.160
flat angles P-C4'-P energy: -11.055
tors. eta vs tors. theta energy: -20.287
Dist. restrs. and SS energy: -34.200 (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: 6
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -258.085567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.085567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.885567 (E_RNA)
where:
Base-Base interactions energy: -133.881
where: short stacking energy: -53.190
Base-Backbone interact. energy: -0.470
local terms energy: -89.533785
where:
bonds (distance) C4'-P energy: -21.030
bonds (distance) P-C4' energy: -19.347
flat angles C4'-P-C4' energy: -22.053
flat angles P-C4'-P energy: -15.822
tors. eta vs tors. theta energy: -11.282
Dist. restrs. and SS energy: -34.200 (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: 9
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -269.468927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.468927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.268927 (E_RNA)
where:
Base-Base interactions energy: -148.472
where: short stacking energy: -66.647
Base-Backbone interact. energy: -0.731
local terms energy: -86.065823
where:
bonds (distance) C4'-P energy: -17.009
bonds (distance) P-C4' energy: -23.702
flat angles C4'-P-C4' energy: -15.923
flat angles P-C4'-P energy: -11.268
tors. eta vs tors. theta energy: -18.163
Dist. restrs. and SS energy: -34.200 (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: 344
Temperature: 0.900000
Total energy: -415.863855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.863855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.463855 (E_RNA)
where:
Base-Base interactions energy: -252.748
where: short stacking energy: -101.256
Base-Backbone interact. energy: -0.394
local terms energy: -112.321801
where:
bonds (distance) C4'-P energy: -23.910
bonds (distance) P-C4' energy: -22.312
flat angles C4'-P-C4' energy: -21.852
flat angles P-C4'-P energy: -16.523
tors. eta vs tors. theta energy: -27.725
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -408.280598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.280598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.880598 (E_RNA)
where:
Base-Base interactions energy: -260.447
where: short stacking energy: -103.131
Base-Backbone interact. energy: -0.482
local terms energy: -96.951854
where:
bonds (distance) C4'-P energy: -13.016
bonds (distance) P-C4' energy: -19.196
flat angles C4'-P-C4' energy: -22.690
flat angles P-C4'-P energy: -15.080
tors. eta vs tors. theta energy: -26.970
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -408.634445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.634445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.234445 (E_RNA)
where:
Base-Base interactions energy: -247.632
where: short stacking energy: -93.303
Base-Backbone interact. energy: -1.048
local terms energy: -109.554559
where:
bonds (distance) C4'-P energy: -20.508
bonds (distance) P-C4' energy: -20.269
flat angles C4'-P-C4' energy: -21.549
flat angles P-C4'-P energy: -18.326
tors. eta vs tors. theta energy: -28.903
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -380.776287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.776287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.376287 (E_RNA)
where:
Base-Base interactions energy: -224.401
where: short stacking energy: -95.505
Base-Backbone interact. energy: -0.361
local terms energy: -105.613722
where:
bonds (distance) C4'-P energy: -19.290
bonds (distance) P-C4' energy: -17.702
flat angles C4'-P-C4' energy: -25.885
flat angles P-C4'-P energy: -14.441
tors. eta vs tors. theta energy: -28.295
Dist. restrs. and SS energy: -50.400 (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: 344
Temperature: 1.100000
Total energy: -385.749335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.749335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.349335 (E_RNA)
where:
Base-Base interactions energy: -228.303
where: short stacking energy: -88.643
Base-Backbone interact. energy: -0.708
local terms energy: -106.338034
where:
bonds (distance) C4'-P energy: -20.464
bonds (distance) P-C4' energy: -18.612
flat angles C4'-P-C4' energy: -24.327
flat angles P-C4'-P energy: -17.451
tors. eta vs tors. theta energy: -25.484
Dist. restrs. and SS energy: -50.400 (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: 344
Temperature: 1.150000
Total energy: -294.789952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.789952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.789952 (E_RNA)
where:
Base-Base interactions energy: -160.819
where: short stacking energy: -67.069
Base-Backbone interact. energy: -0.566
local terms energy: -97.405317
where:
bonds (distance) C4'-P energy: -21.846
bonds (distance) P-C4' energy: -23.479
flat angles C4'-P-C4' energy: -26.019
flat angles P-C4'-P energy: -12.674
tors. eta vs tors. theta energy: -13.388
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -293.384011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.384011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.184011 (E_RNA)
where:
Base-Base interactions energy: -154.365
where: short stacking energy: -75.032
Base-Backbone interact. energy: -0.216
local terms energy: -104.602747
where:
bonds (distance) C4'-P energy: -22.823
bonds (distance) P-C4' energy: -23.692
flat angles C4'-P-C4' energy: -22.087
flat angles P-C4'-P energy: -16.555
tors. eta vs tors. theta energy: -19.446
Dist. restrs. and SS energy: -34.200 (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: 3
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -250.326158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.326158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.326158 (E_RNA)
where:
Base-Base interactions energy: -141.634
where: short stacking energy: -69.738
Base-Backbone interact. energy: -0.955
local terms energy: -71.737099
where:
bonds (distance) C4'-P energy: -11.655
bonds (distance) P-C4' energy: -20.767
flat angles C4'-P-C4' energy: -21.258
flat angles P-C4'-P energy: -10.810
tors. eta vs tors. theta energy: -7.246
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -276.272164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.272164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.272164 (E_RNA)
where:
Base-Base interactions energy: -158.359
where: short stacking energy: -69.039
Base-Backbone interact. energy: -0.282
local terms energy: -81.631008
where:
bonds (distance) C4'-P energy: -11.627
bonds (distance) P-C4' energy: -19.080
flat angles C4'-P-C4' energy: -19.075
flat angles P-C4'-P energy: -16.453
tors. eta vs tors. theta energy: -15.396
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -245.096709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.096709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.896709 (E_RNA)
where:
Base-Base interactions energy: -149.071
where: short stacking energy: -75.331
Base-Backbone interact. energy: -0.100
local terms energy: -61.725513
where:
bonds (distance) C4'-P energy: -13.312
bonds (distance) P-C4' energy: -16.360
flat angles C4'-P-C4' energy: -11.816
flat angles P-C4'-P energy: -8.177
tors. eta vs tors. theta energy: -12.061
Dist. restrs. and SS energy: -34.200 (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: 345
Temperature: 0.900000
Total energy: -416.380761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.380761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.980761 (E_RNA)
where:
Base-Base interactions energy: -256.630
where: short stacking energy: -98.968
Base-Backbone interact. energy: -0.543
local terms energy: -108.807208
where:
bonds (distance) C4'-P energy: -21.746
bonds (distance) P-C4' energy: -23.589
flat angles C4'-P-C4' energy: -18.711
flat angles P-C4'-P energy: -17.386
tors. eta vs tors. theta energy: -27.375
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -414.542846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.542846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.942846 (E_RNA)
where:
Base-Base interactions energy: -258.337
where: short stacking energy: -98.079
Base-Backbone interact. energy: -0.342
local terms energy: -107.263878
where:
bonds (distance) C4'-P energy: -18.853
bonds (distance) P-C4' energy: -18.141
flat angles C4'-P-C4' energy: -26.446
flat angles P-C4'-P energy: -17.232
tors. eta vs tors. theta energy: -26.592
Dist. restrs. and SS energy: -48.600 (S_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: 345
Temperature: 1.000000
Total energy: -409.478241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.478241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.078241 (E_RNA)
where:
Base-Base interactions energy: -250.601
where: short stacking energy: -98.746
Base-Backbone interact. energy: -0.617
local terms energy: -107.860267
where:
bonds (distance) C4'-P energy: -17.987
bonds (distance) P-C4' energy: -23.002
flat angles C4'-P-C4' energy: -25.034
flat angles P-C4'-P energy: -11.083
tors. eta vs tors. theta energy: -30.754
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -400.593990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.593990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.193990 (E_RNA)
where:
Base-Base interactions energy: -237.589
where: short stacking energy: -93.757
Base-Backbone interact. energy: -1.308
local terms energy: -111.296939
where:
bonds (distance) C4'-P energy: -24.017
bonds (distance) P-C4' energy: -21.036
flat angles C4'-P-C4' energy: -20.702
flat angles P-C4'-P energy: -16.866
tors. eta vs tors. theta energy: -28.676
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -385.541166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.541166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.941166 (E_RNA)
where:
Base-Base interactions energy: -239.250
where: short stacking energy: -93.558
Base-Backbone interact. energy: -0.912
local terms energy: -96.779127
where:
bonds (distance) C4'-P energy: -19.870
bonds (distance) P-C4' energy: -18.651
flat angles C4'-P-C4' energy: -14.277
flat angles P-C4'-P energy: -15.208
tors. eta vs tors. theta energy: -28.773
Dist. restrs. and SS energy: -48.600 (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: 2
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -287.907230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.907230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.707230 (E_RNA)
where:
Base-Base interactions energy: -164.055
where: short stacking energy: -71.803
Base-Backbone interact. energy: -0.463
local terms energy: -89.189139
where:
bonds (distance) C4'-P energy: -20.342
bonds (distance) P-C4' energy: -19.721
flat angles C4'-P-C4' energy: -20.899
flat angles P-C4'-P energy: -18.248
tors. eta vs tors. theta energy: -9.979
Dist. restrs. and SS energy: -34.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -291.162880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.162880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.162880 (E_RNA)
where:
Base-Base interactions energy: -161.335
where: short stacking energy: -67.304
Base-Backbone interact. energy: -0.043
local terms energy: -93.784976
where:
bonds (distance) C4'-P energy: -19.397
bonds (distance) P-C4' energy: -21.621
flat angles C4'-P-C4' energy: -21.389
flat angles P-C4'-P energy: -16.004
tors. eta vs tors. theta energy: -15.374
Dist. restrs. and SS energy: -36.000 (S_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: 345
Temperature: 1.250000
Total energy: -289.047096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.047096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.047096 (E_RNA)
where:
Base-Base interactions energy: -155.265
where: short stacking energy: -68.388
Base-Backbone interact. energy: 0.122
local terms energy: -97.903739
where:
bonds (distance) C4'-P energy: -19.312
bonds (distance) P-C4' energy: -19.150
flat angles C4'-P-C4' energy: -25.956
flat angles P-C4'-P energy: -15.857
tors. eta vs tors. theta energy: -17.629
Dist. restrs. and SS energy: -36.000 (S_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: 345
Temperature: 1.300000
Total energy: -248.994321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.994321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.994321 (E_RNA)
where:
Base-Base interactions energy: -137.587
where: short stacking energy: -62.877
Base-Backbone interact. energy: -0.204
local terms energy: -75.203555
where:
bonds (distance) C4'-P energy: -15.827
bonds (distance) P-C4' energy: -18.624
flat angles C4'-P-C4' energy: -13.077
flat angles P-C4'-P energy: -13.326
tors. eta vs tors. theta energy: -14.350
Dist. restrs. and SS energy: -36.000 (S_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: 345
Temperature: 1.350000
Total energy: -273.320585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.320585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.920585 (E_RNA)
where:
Base-Base interactions energy: -163.122
where: short stacking energy: -68.019
Base-Backbone interact. energy: -0.096
local terms energy: -77.702383
where:
bonds (distance) C4'-P energy: -14.080
bonds (distance) P-C4' energy: -21.780
flat angles C4'-P-C4' energy: -15.847
flat angles P-C4'-P energy: -10.937
tors. eta vs tors. theta energy: -15.059
Dist. restrs. and SS energy: -32.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -424.719744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.719744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.319744 (E_RNA)
where:
Base-Base interactions energy: -264.970
where: short stacking energy: -105.581
Base-Backbone interact. energy: -1.266
local terms energy: -108.083212
where:
bonds (distance) C4'-P energy: -23.133
bonds (distance) P-C4' energy: -21.966
flat angles C4'-P-C4' energy: -23.188
flat angles P-C4'-P energy: -13.118
tors. eta vs tors. theta energy: -26.679
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -418.614240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.614240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.214240 (E_RNA)
where:
Base-Base interactions energy: -249.398
where: short stacking energy: -107.079
Base-Backbone interact. energy: -0.272
local terms energy: -118.543833
where:
bonds (distance) C4'-P energy: -24.424
bonds (distance) P-C4' energy: -20.182
flat angles C4'-P-C4' energy: -27.571
flat angles P-C4'-P energy: -18.001
tors. eta vs tors. theta energy: -28.367
Dist. restrs. and SS energy: -50.400 (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: 346
Temperature: 1.000000
Total energy: -405.850077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.850077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.450077 (E_RNA)
where:
Base-Base interactions energy: -247.786
where: short stacking energy: -95.279
Base-Backbone interact. energy: -0.214
local terms energy: -107.449808
where:
bonds (distance) C4'-P energy: -17.184
bonds (distance) P-C4' energy: -23.115
flat angles C4'-P-C4' energy: -23.834
flat angles P-C4'-P energy: -14.983
tors. eta vs tors. theta energy: -28.334
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -398.533555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.533555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.933555 (E_RNA)
where:
Base-Base interactions energy: -252.965
where: short stacking energy: -95.527
Base-Backbone interact. energy: -0.428
local terms energy: -96.541062
where:
bonds (distance) C4'-P energy: -20.324
bonds (distance) P-C4' energy: -21.128
flat angles C4'-P-C4' energy: -17.795
flat angles P-C4'-P energy: -10.121
tors. eta vs tors. theta energy: -27.173
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -399.625595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.625595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.225595 (E_RNA)
where:
Base-Base interactions energy: -248.505
where: short stacking energy: -99.067
Base-Backbone interact. energy: -1.459
local terms energy: -99.261895
where:
bonds (distance) C4'-P energy: -17.551
bonds (distance) P-C4' energy: -20.676
flat angles C4'-P-C4' energy: -20.396
flat angles P-C4'-P energy: -14.080
tors. eta vs tors. theta energy: -26.559
Dist. restrs. and SS energy: -50.400 (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: 346
Temperature: 1.150000
Total energy: -270.241145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.241145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.241145 (E_RNA)
where:
Base-Base interactions energy: -149.672
where: short stacking energy: -73.286
Base-Backbone interact. energy: -0.147
local terms energy: -84.422974
where:
bonds (distance) C4'-P energy: -18.547
bonds (distance) P-C4' energy: -25.617
flat angles C4'-P-C4' energy: -16.347
flat angles P-C4'-P energy: -11.752
tors. eta vs tors. theta energy: -12.160
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -290.824898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.824898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.824898 (E_RNA)
where:
Base-Base interactions energy: -165.868
where: short stacking energy: -74.374
Base-Backbone interact. energy: -1.217
local terms energy: -87.740483
where:
bonds (distance) C4'-P energy: -13.644
bonds (distance) P-C4' energy: -21.412
flat angles C4'-P-C4' energy: -14.888
flat angles P-C4'-P energy: -15.486
tors. eta vs tors. theta energy: -22.312
Dist. restrs. and SS energy: -36.000 (S_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: 346
Temperature: 1.250000
Total energy: -265.266606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.266606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.266606 (E_RNA)
where:
Base-Base interactions energy: -136.587
where: short stacking energy: -64.255
Base-Backbone interact. energy: 0.845
local terms energy: -93.524846
where:
bonds (distance) C4'-P energy: -20.969
bonds (distance) P-C4' energy: -23.007
flat angles C4'-P-C4' energy: -20.835
flat angles P-C4'-P energy: -17.044
tors. eta vs tors. theta energy: -11.669
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -266.884351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.884351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.884351 (E_RNA)
where:
Base-Base interactions energy: -149.733
where: short stacking energy: -74.326
Base-Backbone interact. energy: 0.560
local terms energy: -81.711710
where:
bonds (distance) C4'-P energy: -22.354
bonds (distance) P-C4' energy: -22.776
flat angles C4'-P-C4' energy: -12.183
flat angles P-C4'-P energy: -10.387
tors. eta vs tors. theta energy: -14.012
Dist. restrs. and SS energy: -36.000 (S_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: 346
Temperature: 1.350000
Total energy: -256.238130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.238130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.038130 (E_RNA)
where:
Base-Base interactions energy: -146.783
where: short stacking energy: -61.818
Base-Backbone interact. energy: -0.181
local terms energy: -75.074030
where:
bonds (distance) C4'-P energy: -12.843
bonds (distance) P-C4' energy: -15.026
flat angles C4'-P-C4' energy: -19.021
flat angles P-C4'-P energy: -11.714
tors. eta vs tors. theta energy: -16.470
Dist. restrs. and SS energy: -34.200 (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: 7
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -411.547676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.547676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.947676 (E_RNA)
where:
Base-Base interactions energy: -257.360
where: short stacking energy: -100.977
Base-Backbone interact. energy: -1.537
local terms energy: -104.050969
where:
bonds (distance) C4'-P energy: -25.517
bonds (distance) P-C4' energy: -19.064
flat angles C4'-P-C4' energy: -20.797
flat angles P-C4'-P energy: -9.129
tors. eta vs tors. theta energy: -29.544
Dist. restrs. and SS energy: -48.600 (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: 8
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -402.979313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.979313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.579313 (E_RNA)
where:
Base-Base interactions energy: -244.615
where: short stacking energy: -102.833
Base-Backbone interact. energy: -0.035
local terms energy: -107.929674
where:
bonds (distance) C4'-P energy: -18.763
bonds (distance) P-C4' energy: -20.657
flat angles C4'-P-C4' energy: -26.505
flat angles P-C4'-P energy: -14.346
tors. eta vs tors. theta energy: -27.659
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -407.573726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.573726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.173726 (E_RNA)
where:
Base-Base interactions energy: -244.116
where: short stacking energy: -102.798
Base-Backbone interact. energy: 0.416
local terms energy: -113.473391
where:
bonds (distance) C4'-P energy: -20.871
bonds (distance) P-C4' energy: -26.290
flat angles C4'-P-C4' energy: -20.952
flat angles P-C4'-P energy: -16.305
tors. eta vs tors. theta energy: -29.054
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -395.043868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.043868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.643868 (E_RNA)
where:
Base-Base interactions energy: -240.835
where: short stacking energy: -86.902
Base-Backbone interact. energy: 0.654
local terms energy: -104.462322
where:
bonds (distance) C4'-P energy: -21.369
bonds (distance) P-C4' energy: -22.119
flat angles C4'-P-C4' energy: -19.870
flat angles P-C4'-P energy: -15.770
tors. eta vs tors. theta energy: -25.334
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -411.323342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.323342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.323342 (E_RNA)
where:
Base-Base interactions energy: -256.441
where: short stacking energy: -94.597
Base-Backbone interact. energy: -1.477
local terms energy: -108.405053
where:
bonds (distance) C4'-P energy: -15.884
bonds (distance) P-C4' energy: -24.180
flat angles C4'-P-C4' energy: -24.148
flat angles P-C4'-P energy: -13.752
tors. eta vs tors. theta energy: -30.441
Dist. restrs. and SS energy: -45.000 (S_DIST_RNA)
chem. 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: -308.150915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.150915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.950915 (E_RNA)
where:
Base-Base interactions energy: -178.246
where: short stacking energy: -89.107
Base-Backbone interact. energy: -0.158
local terms energy: -95.547023
where:
bonds (distance) C4'-P energy: -17.311
bonds (distance) P-C4' energy: -25.515
flat angles C4'-P-C4' energy: -20.529
flat angles P-C4'-P energy: -13.072
tors. eta vs tors. theta energy: -19.120
Dist. restrs. and SS energy: -34.200 (S_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: 347
Temperature: 1.200000
Total energy: -271.000152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.000152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.000152 (E_RNA)
where:
Base-Base interactions energy: -142.630
where: short stacking energy: -68.497
Base-Backbone interact. energy: -0.157
local terms energy: -92.213281
where:
bonds (distance) C4'-P energy: -21.692
bonds (distance) P-C4' energy: -22.369
flat angles C4'-P-C4' energy: -25.320
flat angles P-C4'-P energy: -13.677
tors. eta vs tors. theta energy: -9.155
Dist. restrs. and SS energy: -36.000 (S_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: -274.582503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.582503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.582503 (E_RNA)
where:
Base-Base interactions energy: -150.642
where: short stacking energy: -60.988
Base-Backbone interact. energy: -0.144
local terms energy: -87.796177
where:
bonds (distance) C4'-P energy: -23.447
bonds (distance) P-C4' energy: -22.455
flat angles C4'-P-C4' energy: -15.906
flat angles P-C4'-P energy: -7.545
tors. eta vs tors. theta energy: -18.443
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -266.288839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.288839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.288839 (E_RNA)
where:
Base-Base interactions energy: -155.103
where: short stacking energy: -69.069
Base-Backbone interact. energy: -1.373
local terms energy: -73.812605
where:
bonds (distance) C4'-P energy: -12.791
bonds (distance) P-C4' energy: -23.453
flat angles C4'-P-C4' energy: -14.113
flat angles P-C4'-P energy: -13.935
tors. eta vs tors. theta energy: -9.521
Dist. restrs. and SS energy: -36.000 (S_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: 347
Temperature: 1.350000
Total energy: -261.380966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.380966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.380966 (E_RNA)
where:
Base-Base interactions energy: -141.174
where: short stacking energy: -65.235
Base-Backbone interact. energy: -0.094
local terms energy: -84.112669
where:
bonds (distance) C4'-P energy: -20.856
bonds (distance) P-C4' energy: -22.961
flat angles C4'-P-C4' energy: -16.473
flat angles P-C4'-P energy: -13.451
tors. eta vs tors. theta energy: -10.373
Dist. restrs. and SS energy: -36.000 (S_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: 348
Temperature: 0.900000
Total energy: -415.934239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.934239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.534239 (E_RNA)
where:
Base-Base interactions energy: -263.738
where: short stacking energy: -101.333
Base-Backbone interact. energy: -1.308
local terms energy: -100.488323
where:
bonds (distance) C4'-P energy: -20.935
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -20.570
flat angles P-C4'-P energy: -16.238
tors. eta vs tors. theta energy: -26.039
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -412.784922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.784922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.384922 (E_RNA)
where:
Base-Base interactions energy: -247.743
where: short stacking energy: -100.853
Base-Backbone interact. energy: 1.512
local terms energy: -116.154160
where:
bonds (distance) C4'-P energy: -23.472
bonds (distance) P-C4' energy: -20.392
flat angles C4'-P-C4' energy: -26.743
flat angles P-C4'-P energy: -14.399
tors. eta vs tors. theta energy: -31.149
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -409.953228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.953228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.353228 (E_RNA)
where:
Base-Base interactions energy: -245.029
where: short stacking energy: -101.668
Base-Backbone interact. energy: -1.070
local terms energy: -115.253999
where:
bonds (distance) C4'-P energy: -22.168
bonds (distance) P-C4' energy: -22.036
flat angles C4'-P-C4' energy: -24.068
flat angles P-C4'-P energy: -14.807
tors. eta vs tors. theta energy: -32.176
Dist. restrs. and SS energy: -48.600 (S_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: 348
Temperature: 1.050000
Total energy: -391.949444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.949444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.549444 (E_RNA)
where:
Base-Base interactions energy: -236.986
where: short stacking energy: -87.798
Base-Backbone interact. energy: 0.382
local terms energy: -104.945638
where:
bonds (distance) C4'-P energy: -21.015
bonds (distance) P-C4' energy: -20.874
flat angles C4'-P-C4' energy: -21.784
flat angles P-C4'-P energy: -17.721
tors. eta vs tors. theta energy: -23.551
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -391.395185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.395185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.395185 (E_RNA)
where:
Base-Base interactions energy: -244.763
where: short stacking energy: -97.103
Base-Backbone interact. energy: -0.784
local terms energy: -100.848077
where:
bonds (distance) C4'-P energy: -18.894
bonds (distance) P-C4' energy: -17.557
flat angles C4'-P-C4' energy: -16.972
flat angles P-C4'-P energy: -15.039
tors. eta vs tors. theta energy: -32.386
Dist. restrs. and SS energy: -45.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -319.236118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.236118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.236118 (E_RNA)
where:
Base-Base interactions energy: -182.283
where: short stacking energy: -87.892
Base-Backbone interact. energy: -0.247
local terms energy: -100.706939
where:
bonds (distance) C4'-P energy: -22.947
bonds (distance) P-C4' energy: -25.039
flat angles C4'-P-C4' energy: -16.992
flat angles P-C4'-P energy: -12.344
tors. eta vs tors. theta energy: -23.386
Dist. restrs. and SS energy: -36.000 (S_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: -287.302881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.302881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.302881 (E_RNA)
where:
Base-Base interactions energy: -168.195
where: short stacking energy: -75.967
Base-Backbone interact. energy: -0.022
local terms energy: -83.085278
where:
bonds (distance) C4'-P energy: -19.639
bonds (distance) P-C4' energy: -16.359
flat angles C4'-P-C4' energy: -15.474
flat angles P-C4'-P energy: -7.158
tors. eta vs tors. theta energy: -24.456
Dist. restrs. and SS energy: -36.000 (S_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: 348
Temperature: 1.250000
Total energy: -281.801232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.801232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.601232 (E_RNA)
where:
Base-Base interactions energy: -176.720
where: short stacking energy: -73.053
Base-Backbone interact. energy: -0.384
local terms energy: -70.496406
where:
bonds (distance) C4'-P energy: -11.929
bonds (distance) P-C4' energy: -14.818
flat angles C4'-P-C4' energy: -20.360
flat angles P-C4'-P energy: -11.575
tors. eta vs tors. theta energy: -11.814
Dist. restrs. and SS energy: -34.200 (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: 3
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -264.098736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.098736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.098736 (E_RNA)
where:
Base-Base interactions energy: -147.550
where: short stacking energy: -57.723
Base-Backbone interact. energy: -0.840
local terms energy: -79.708190
where:
bonds (distance) C4'-P energy: -15.649
bonds (distance) P-C4' energy: -22.036
flat angles C4'-P-C4' energy: -19.483
flat angles P-C4'-P energy: -13.039
tors. eta vs tors. theta energy: -9.501
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -252.132892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.132892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.132892 (E_RNA)
where:
Base-Base interactions energy: -133.783
where: short stacking energy: -63.514
Base-Backbone interact. energy: -0.189
local terms energy: -82.161469
where:
bonds (distance) C4'-P energy: -17.284
bonds (distance) P-C4' energy: -12.984
flat angles C4'-P-C4' energy: -20.257
flat angles P-C4'-P energy: -16.060
tors. eta vs tors. theta energy: -15.577
Dist. restrs. and SS energy: -36.000 (S_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: 349
Temperature: 0.900000
Total energy: -414.295006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.295006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.895006 (E_RNA)
where:
Base-Base interactions energy: -246.840
where: short stacking energy: -90.312
Base-Backbone interact. energy: -1.291
local terms energy: -115.763723
where:
bonds (distance) C4'-P energy: -23.047
bonds (distance) P-C4' energy: -27.191
flat angles C4'-P-C4' energy: -22.464
flat angles P-C4'-P energy: -15.825
tors. eta vs tors. theta energy: -27.237
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -416.826816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.826816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.026816 (E_RNA)
where:
Base-Base interactions energy: -249.167
where: short stacking energy: -100.823
Base-Backbone interact. energy: -0.887
local terms energy: -119.972834
where:
bonds (distance) C4'-P energy: -23.392
bonds (distance) P-C4' energy: -27.604
flat angles C4'-P-C4' energy: -24.777
flat angles P-C4'-P energy: -16.176
tors. eta vs tors. theta energy: -28.023
Dist. restrs. and SS energy: -46.800 (S_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: 349
Temperature: 1.000000
Total energy: -400.002020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.002020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.602020 (E_RNA)
where:
Base-Base interactions energy: -237.890
where: short stacking energy: -97.291
Base-Backbone interact. energy: -0.668
local terms energy: -111.044133
where:
bonds (distance) C4'-P energy: -21.827
bonds (distance) P-C4' energy: -20.362
flat angles C4'-P-C4' energy: -23.252
flat angles P-C4'-P energy: -16.784
tors. eta vs tors. theta energy: -28.819
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -401.749629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.749629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.949629 (E_RNA)
where:
Base-Base interactions energy: -248.830
where: short stacking energy: -101.829
Base-Backbone interact. energy: -0.681
local terms energy: -105.439332
where:
bonds (distance) C4'-P energy: -21.871
bonds (distance) P-C4' energy: -21.072
flat angles C4'-P-C4' energy: -18.025
flat angles P-C4'-P energy: -14.770
tors. eta vs tors. theta energy: -29.701
Dist. restrs. and SS energy: -46.800 (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: 10
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -375.288436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.288436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.888436 (E_RNA)
where:
Base-Base interactions energy: -230.714
where: short stacking energy: -88.812
Base-Backbone interact. energy: -1.334
local terms energy: -92.840446
where:
bonds (distance) C4'-P energy: -16.406
bonds (distance) P-C4' energy: -22.283
flat angles C4'-P-C4' energy: -17.723
flat angles P-C4'-P energy: -11.214
tors. eta vs tors. theta energy: -25.215
Dist. restrs. and SS energy: -50.400 (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: 6
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -303.382099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.382099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.382099 (E_RNA)
where:
Base-Base interactions energy: -185.242
where: short stacking energy: -91.996
Base-Backbone interact. energy: -0.172
local terms energy: -81.968138
where:
bonds (distance) C4'-P energy: -12.882
bonds (distance) P-C4' energy: -21.841
flat angles C4'-P-C4' energy: -13.122
flat angles P-C4'-P energy: -12.652
tors. eta vs tors. theta energy: -21.471
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -288.659098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.659098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.659098 (E_RNA)
where:
Base-Base interactions energy: -166.278
where: short stacking energy: -73.893
Base-Backbone interact. energy: -0.176
local terms energy: -86.205250
where:
bonds (distance) C4'-P energy: -21.443
bonds (distance) P-C4' energy: -17.977
flat angles C4'-P-C4' energy: -21.175
flat angles P-C4'-P energy: -11.014
tors. eta vs tors. theta energy: -14.597
Dist. restrs. and SS energy: -36.000 (S_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: 349
Temperature: 1.250000
Total energy: -270.600143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.600143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.600143 (E_RNA)
where:
Base-Base interactions energy: -141.971
where: short stacking energy: -56.390
Base-Backbone interact. energy: 0.493
local terms energy: -93.123028
where:
bonds (distance) C4'-P energy: -23.511
bonds (distance) P-C4' energy: -25.601
flat angles C4'-P-C4' energy: -20.307
flat angles P-C4'-P energy: -10.245
tors. eta vs tors. theta energy: -13.459
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -278.136885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.136885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.136885 (E_RNA)
where:
Base-Base interactions energy: -158.747
where: short stacking energy: -71.476
Base-Backbone interact. energy: 3.340
local terms energy: -86.730278
where:
bonds (distance) C4'-P energy: -19.550
bonds (distance) P-C4' energy: -13.252
flat angles C4'-P-C4' energy: -21.617
flat angles P-C4'-P energy: -15.255
tors. eta vs tors. theta energy: -17.057
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -245.135711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.135711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.135711 (E_RNA)
where:
Base-Base interactions energy: -140.716
where: short stacking energy: -58.657
Base-Backbone interact. energy: -0.275
local terms energy: -68.145057
where:
bonds (distance) C4'-P energy: -3.982
bonds (distance) P-C4' energy: -21.207
flat angles C4'-P-C4' energy: -19.458
flat angles P-C4'-P energy: -12.961
tors. eta vs tors. theta energy: -10.537
Dist. restrs. and SS energy: -36.000 (S_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: 350
Temperature: 0.900000
Total energy: -418.299942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.299942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.499942 (E_RNA)
where:
Base-Base interactions energy: -251.916
where: short stacking energy: -93.771
Base-Backbone interact. energy: -0.916
local terms energy: -118.667542
where:
bonds (distance) C4'-P energy: -22.137
bonds (distance) P-C4' energy: -24.909
flat angles C4'-P-C4' energy: -24.189
flat angles P-C4'-P energy: -16.757
tors. eta vs tors. theta energy: -30.676
Dist. restrs. and SS energy: -46.800 (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: 8
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -418.111828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.111828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.711828 (E_RNA)
where:
Base-Base interactions energy: -253.678
where: short stacking energy: -106.362
Base-Backbone interact. energy: 0.965
local terms energy: -114.998458
where:
bonds (distance) C4'-P energy: -21.226
bonds (distance) P-C4' energy: -23.504
flat angles C4'-P-C4' energy: -25.522
flat angles P-C4'-P energy: -14.599
tors. eta vs tors. theta energy: -30.148
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -395.128842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.128842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.728842 (E_RNA)
where:
Base-Base interactions energy: -245.995
where: short stacking energy: -96.404
Base-Backbone interact. energy: -0.880
local terms energy: -97.854142
where:
bonds (distance) C4'-P energy: -15.162
bonds (distance) P-C4' energy: -22.229
flat angles C4'-P-C4' energy: -22.780
flat angles P-C4'-P energy: -13.760
tors. eta vs tors. theta energy: -23.924
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -390.713481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.713481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.113481 (E_RNA)
where:
Base-Base interactions energy: -237.323
where: short stacking energy: -95.958
Base-Backbone interact. energy: -0.523
local terms energy: -104.267868
where:
bonds (distance) C4'-P energy: -15.813
bonds (distance) P-C4' energy: -23.534
flat angles C4'-P-C4' energy: -22.438
flat angles P-C4'-P energy: -17.694
tors. eta vs tors. theta energy: -24.789
Dist. restrs. and SS energy: -48.600 (S_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: 350
Temperature: 1.100000
Total energy: -386.091821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.091821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.491821 (E_RNA)
where:
Base-Base interactions energy: -228.847
where: short stacking energy: -93.939
Base-Backbone interact. energy: -1.217
local terms energy: -107.428193
where:
bonds (distance) C4'-P energy: -22.538
bonds (distance) P-C4' energy: -24.415
flat angles C4'-P-C4' energy: -19.965
flat angles P-C4'-P energy: -14.561
tors. eta vs tors. theta energy: -25.949
Dist. restrs. and SS energy: -48.600 (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: 6
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -302.785652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.785652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.785652 (E_RNA)
where:
Base-Base interactions energy: -181.780
where: short stacking energy: -84.169
Base-Backbone interact. energy: -0.756
local terms energy: -84.249506
where:
bonds (distance) C4'-P energy: -19.945
bonds (distance) P-C4' energy: -23.785
flat angles C4'-P-C4' energy: -15.467
flat angles P-C4'-P energy: -7.255
tors. eta vs tors. theta energy: -17.798
Dist. restrs. and SS energy: -36.000 (S_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: 350
Temperature: 1.200000
Total energy: -302.509080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.509080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.309080 (E_RNA)
where:
Base-Base interactions energy: -177.004
where: short stacking energy: -78.208
Base-Backbone interact. energy: 2.371
local terms energy: -93.676557
where:
bonds (distance) C4'-P energy: -19.237
bonds (distance) P-C4' energy: -17.512
flat angles C4'-P-C4' energy: -19.206
flat angles P-C4'-P energy: -12.071
tors. eta vs tors. theta energy: -25.650
Dist. restrs. and SS energy: -34.200 (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: 350
Temperature: 1.250000
Total energy: -269.472029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.472029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.472029 (E_RNA)
where:
Base-Base interactions energy: -148.902
where: short stacking energy: -66.577
Base-Backbone interact. energy: -0.199
local terms energy: -84.371060
where:
bonds (distance) C4'-P energy: -26.516
bonds (distance) P-C4' energy: -16.869
flat angles C4'-P-C4' energy: -20.546
flat angles P-C4'-P energy: -12.346
tors. eta vs tors. theta energy: -8.093
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -269.737985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.737985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.537985 (E_RNA)
where:
Base-Base interactions energy: -152.579
where: short stacking energy: -54.672
Base-Backbone interact. energy: 0.274
local terms energy: -83.232924
where:
bonds (distance) C4'-P energy: -15.737
bonds (distance) P-C4' energy: -22.016
flat angles C4'-P-C4' energy: -19.538
flat angles P-C4'-P energy: -16.655
tors. eta vs tors. theta energy: -9.286
Dist. restrs. and SS energy: -34.200 (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: 9
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -253.019838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.019838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.619838 (E_RNA)
where:
Base-Base interactions energy: -151.249
where: short stacking energy: -54.018
Base-Backbone interact. energy: -0.327
local terms energy: -69.044074
where:
bonds (distance) C4'-P energy: -14.401
bonds (distance) P-C4' energy: -23.400
flat angles C4'-P-C4' energy: -15.617
flat angles P-C4'-P energy: -8.656
tors. eta vs tors. theta energy: -6.970
Dist. restrs. and SS energy: -32.400 (S_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: 351
Temperature: 0.900000
Total energy: -408.209073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.209073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.809073 (E_RNA)
where:
Base-Base interactions energy: -241.281
where: short stacking energy: -95.303
Base-Backbone interact. energy: -0.570
local terms energy: -115.957713
where:
bonds (distance) C4'-P energy: -26.146
bonds (distance) P-C4' energy: -22.538
flat angles C4'-P-C4' energy: -22.263
flat angles P-C4'-P energy: -17.694
tors. eta vs tors. theta energy: -27.316
Dist. restrs. and SS energy: -50.400 (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: 8
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -419.255628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.255628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.855628 (E_RNA)
where:
Base-Base interactions energy: -253.433
where: short stacking energy: -103.913
Base-Backbone interact. energy: -1.024
local terms energy: -114.398407
where:
bonds (distance) C4'-P energy: -23.315
bonds (distance) P-C4' energy: -22.640
flat angles C4'-P-C4' energy: -25.938
flat angles P-C4'-P energy: -17.048
tors. eta vs tors. theta energy: -25.457
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -402.030835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.030835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.630835 (E_RNA)
where:
Base-Base interactions energy: -246.108
where: short stacking energy: -99.242
Base-Backbone interact. energy: -0.757
local terms energy: -104.766292
where:
bonds (distance) C4'-P energy: -15.300
bonds (distance) P-C4' energy: -17.730
flat angles C4'-P-C4' energy: -23.609
flat angles P-C4'-P energy: -20.492
tors. eta vs tors. theta energy: -27.636
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -398.598107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.598107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.198107 (E_RNA)
where:
Base-Base interactions energy: -235.751
where: short stacking energy: -93.133
Base-Backbone interact. energy: -0.860
local terms energy: -111.586601
where:
bonds (distance) C4'-P energy: -23.443
bonds (distance) P-C4' energy: -20.536
flat angles C4'-P-C4' energy: -23.484
flat angles P-C4'-P energy: -15.538
tors. eta vs tors. theta energy: -28.586
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -370.382866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.382866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.782866 (E_RNA)
where:
Base-Base interactions energy: -222.179
where: short stacking energy: -87.644
Base-Backbone interact. energy: -0.358
local terms energy: -99.246315
where:
bonds (distance) C4'-P energy: -21.345
bonds (distance) P-C4' energy: -21.510
flat angles C4'-P-C4' energy: -23.145
flat angles P-C4'-P energy: -10.818
tors. eta vs tors. theta energy: -22.428
Dist. restrs. and SS energy: -48.600 (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: 3
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -302.755153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.755153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.755153 (E_RNA)
where:
Base-Base interactions energy: -169.180
where: short stacking energy: -68.381
Base-Backbone interact. energy: -0.576
local terms energy: -96.998306
where:
bonds (distance) C4'-P energy: -17.672
bonds (distance) P-C4' energy: -25.332
flat angles C4'-P-C4' energy: -20.986
flat angles P-C4'-P energy: -14.153
tors. eta vs tors. theta energy: -18.856
Dist. restrs. and SS energy: -36.000 (S_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: 351
Temperature: 1.200000
Total energy: -288.227272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.227272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.227272 (E_RNA)
where:
Base-Base interactions energy: -164.886
where: short stacking energy: -59.148
Base-Backbone interact. energy: -0.504
local terms energy: -86.837995
where:
bonds (distance) C4'-P energy: -21.589
bonds (distance) P-C4' energy: -22.182
flat angles C4'-P-C4' energy: -18.176
flat angles P-C4'-P energy: -15.930
tors. eta vs tors. theta energy: -8.961
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -269.371312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.371312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.371312 (E_RNA)
where:
Base-Base interactions energy: -140.423
where: short stacking energy: -61.755
Base-Backbone interact. energy: -0.139
local terms energy: -92.809006
where:
bonds (distance) C4'-P energy: -23.050
bonds (distance) P-C4' energy: -22.272
flat angles C4'-P-C4' energy: -16.455
flat angles P-C4'-P energy: -13.356
tors. eta vs tors. theta energy: -17.677
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -270.738231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.738231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.738231 (E_RNA)
where:
Base-Base interactions energy: -157.809
where: short stacking energy: -71.888
Base-Backbone interact. energy: -0.423
local terms energy: -76.506223
where:
bonds (distance) C4'-P energy: -17.631
bonds (distance) P-C4' energy: -19.786
flat angles C4'-P-C4' energy: -19.847
flat angles P-C4'-P energy: -11.706
tors. eta vs tors. theta energy: -7.537
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -258.821455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.821455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.821455 (E_RNA)
where:
Base-Base interactions energy: -145.265
where: short stacking energy: -61.532
Base-Backbone interact. energy: 1.313
local terms energy: -78.869653
where:
bonds (distance) C4'-P energy: -15.560
bonds (distance) P-C4' energy: -19.263
flat angles C4'-P-C4' energy: -13.370
flat angles P-C4'-P energy: -17.369
tors. eta vs tors. theta energy: -13.306
Dist. restrs. and SS energy: -36.000 (S_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: 352
Temperature: 0.900000
Total energy: -416.852332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.852332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.452332 (E_RNA)
where:
Base-Base interactions energy: -249.830
where: short stacking energy: -98.322
Base-Backbone interact. energy: -0.655
local terms energy: -115.967328
where:
bonds (distance) C4'-P energy: -22.599
bonds (distance) P-C4' energy: -23.625
flat angles C4'-P-C4' energy: -23.152
flat angles P-C4'-P energy: -18.260
tors. eta vs tors. theta energy: -28.331
Dist. restrs. and SS energy: -50.400 (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: 8
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -404.910201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.910201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.510201 (E_RNA)
where:
Base-Base interactions energy: -257.818
where: short stacking energy: -101.581
Base-Backbone interact. energy: -0.482
local terms energy: -96.210113
where:
bonds (distance) C4'-P energy: -13.599
bonds (distance) P-C4' energy: -20.422
flat angles C4'-P-C4' energy: -19.728
flat angles P-C4'-P energy: -14.309
tors. eta vs tors. theta energy: -28.152
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -403.107474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.107474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.707474 (E_RNA)
where:
Base-Base interactions energy: -244.053
where: short stacking energy: -99.884
Base-Backbone interact. energy: -0.376
local terms energy: -108.278091
where:
bonds (distance) C4'-P energy: -22.488
bonds (distance) P-C4' energy: -21.784
flat angles C4'-P-C4' energy: -22.733
flat angles P-C4'-P energy: -13.908
tors. eta vs tors. theta energy: -27.366
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -393.771678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.771678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.371678 (E_RNA)
where:
Base-Base interactions energy: -240.056
where: short stacking energy: -93.616
Base-Backbone interact. energy: -0.674
local terms energy: -102.641659
where:
bonds (distance) C4'-P energy: -27.364
bonds (distance) P-C4' energy: -19.592
flat angles C4'-P-C4' energy: -21.089
flat angles P-C4'-P energy: -10.846
tors. eta vs tors. theta energy: -23.751
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -334.022519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.022519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.022519 (E_RNA)
where:
Base-Base interactions energy: -197.984
where: short stacking energy: -74.794
Base-Backbone interact. energy: -1.307
local terms energy: -98.731718
where:
bonds (distance) C4'-P energy: -19.444
bonds (distance) P-C4' energy: -26.591
flat angles C4'-P-C4' energy: -19.568
flat angles P-C4'-P energy: -15.638
tors. eta vs tors. theta energy: -17.491
Dist. restrs. and SS energy: -36.000 (S_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: 352
Temperature: 1.150000
Total energy: -364.717826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.717826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.117826 (E_RNA)
where:
Base-Base interactions energy: -224.197
where: short stacking energy: -92.303
Base-Backbone interact. energy: -0.306
local terms energy: -91.614049
where:
bonds (distance) C4'-P energy: -19.879
bonds (distance) P-C4' energy: -16.318
flat angles C4'-P-C4' energy: -24.055
flat angles P-C4'-P energy: -11.316
tors. eta vs tors. theta energy: -20.046
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -271.732293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.732293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.532293 (E_RNA)
where:
Base-Base interactions energy: -140.589
where: short stacking energy: -76.896
Base-Backbone interact. energy: -0.066
local terms energy: -96.876910
where:
bonds (distance) C4'-P energy: -22.541
bonds (distance) P-C4' energy: -23.594
flat angles C4'-P-C4' energy: -19.939
flat angles P-C4'-P energy: -9.991
tors. eta vs tors. theta energy: -20.812
Dist. restrs. and SS energy: -34.200 (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: 6
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -289.858363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.858363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.458363 (E_RNA)
where:
Base-Base interactions energy: -159.762
where: short stacking energy: -72.653
Base-Backbone interact. energy: -1.135
local terms energy: -96.560910
where:
bonds (distance) C4'-P energy: -20.748
bonds (distance) P-C4' energy: -21.079
flat angles C4'-P-C4' energy: -21.641
flat angles P-C4'-P energy: -15.398
tors. eta vs tors. theta energy: -17.695
Dist. restrs. and SS energy: -32.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -281.531280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.531280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.531280 (E_RNA)
where:
Base-Base interactions energy: -158.480
where: short stacking energy: -70.598
Base-Backbone interact. energy: -0.690
local terms energy: -86.361975
where:
bonds (distance) C4'-P energy: -16.787
bonds (distance) P-C4' energy: -21.025
flat angles C4'-P-C4' energy: -17.491
flat angles P-C4'-P energy: -15.403
tors. eta vs tors. theta energy: -15.656
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -275.456155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.456155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.456155 (E_RNA)
where:
Base-Base interactions energy: -152.431
where: short stacking energy: -67.975
Base-Backbone interact. energy: -0.942
local terms energy: -86.082622
where:
bonds (distance) C4'-P energy: -14.234
bonds (distance) P-C4' energy: -17.994
flat angles C4'-P-C4' energy: -24.015
flat angles P-C4'-P energy: -12.800
tors. eta vs tors. theta energy: -17.040
Dist. restrs. and SS energy: -36.000 (S_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: 353
Temperature: 0.900000
Total energy: -410.294184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.294184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.894184 (E_RNA)
where:
Base-Base interactions energy: -241.084
where: short stacking energy: -104.558
Base-Backbone interact. energy: -0.873
local terms energy: -117.937787
where:
bonds (distance) C4'-P energy: -26.780
bonds (distance) P-C4' energy: -27.696
flat angles C4'-P-C4' energy: -24.482
flat angles P-C4'-P energy: -11.268
tors. eta vs tors. theta energy: -27.712
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -402.184794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.184794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.784794 (E_RNA)
where:
Base-Base interactions energy: -245.601
where: short stacking energy: -93.944
Base-Backbone interact. energy: -0.751
local terms energy: -105.432631
where:
bonds (distance) C4'-P energy: -21.283
bonds (distance) P-C4' energy: -22.956
flat angles C4'-P-C4' energy: -18.758
flat angles P-C4'-P energy: -17.176
tors. eta vs tors. theta energy: -25.260
Dist. restrs. and SS energy: -50.400 (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: 353
Temperature: 1.000000
Total energy: -402.477819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.477819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.077819 (E_RNA)
where:
Base-Base interactions energy: -254.685
where: short stacking energy: -107.308
Base-Backbone interact. energy: -0.912
local terms energy: -96.480869
where:
bonds (distance) C4'-P energy: -17.665
bonds (distance) P-C4' energy: -17.445
flat angles C4'-P-C4' energy: -22.381
flat angles P-C4'-P energy: -12.334
tors. eta vs tors. theta energy: -26.656
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -388.416839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.416839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.016839 (E_RNA)
where:
Base-Base interactions energy: -236.749
where: short stacking energy: -88.024
Base-Backbone interact. energy: -0.043
local terms energy: -101.225694
where:
bonds (distance) C4'-P energy: -18.643
bonds (distance) P-C4' energy: -21.013
flat angles C4'-P-C4' energy: -23.998
flat angles P-C4'-P energy: -11.086
tors. eta vs tors. theta energy: -26.485
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -329.459902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.459902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.259902 (E_RNA)
where:
Base-Base interactions energy: -187.261
where: short stacking energy: -74.529
Base-Backbone interact. energy: -0.456
local terms energy: -107.543402
where:
bonds (distance) C4'-P energy: -22.389
bonds (distance) P-C4' energy: -23.670
flat angles C4'-P-C4' energy: -22.799
flat angles P-C4'-P energy: -17.463
tors. eta vs tors. theta energy: -21.223
Dist. restrs. and SS energy: -34.200 (S_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: 353
Temperature: 1.150000
Total energy: -373.363386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.363386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.763386 (E_RNA)
where:
Base-Base interactions energy: -222.973
where: short stacking energy: -82.543
Base-Backbone interact. energy: -0.314
local terms energy: -101.476245
where:
bonds (distance) C4'-P energy: -17.482
bonds (distance) P-C4' energy: -24.627
flat angles C4'-P-C4' energy: -19.530
flat angles P-C4'-P energy: -18.445
tors. eta vs tors. theta energy: -21.392
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -254.500847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.500847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.500847 (E_RNA)
where:
Base-Base interactions energy: -137.551
where: short stacking energy: -60.184
Base-Backbone interact. energy: -0.498
local terms energy: -80.451970
where:
bonds (distance) C4'-P energy: -23.347
bonds (distance) P-C4' energy: -22.942
flat angles C4'-P-C4' energy: -20.180
flat angles P-C4'-P energy: -7.521
tors. eta vs tors. theta energy: -6.462
Dist. restrs. and SS energy: -36.000 (S_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: 353
Temperature: 1.250000
Total energy: -290.858929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.858929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.858929 (E_RNA)
where:
Base-Base interactions energy: -156.768
where: short stacking energy: -68.295
Base-Backbone interact. energy: -0.070
local terms energy: -98.020627
where:
bonds (distance) C4'-P energy: -19.958
bonds (distance) P-C4' energy: -21.138
flat angles C4'-P-C4' energy: -19.783
flat angles P-C4'-P energy: -17.144
tors. eta vs tors. theta energy: -19.997
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -260.124290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.124290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.124290 (E_RNA)
where:
Base-Base interactions energy: -134.008
where: short stacking energy: -60.995
Base-Backbone interact. energy: -1.216
local terms energy: -88.899403
where:
bonds (distance) C4'-P energy: -18.846
bonds (distance) P-C4' energy: -25.400
flat angles C4'-P-C4' energy: -17.330
flat angles P-C4'-P energy: -15.002
tors. eta vs tors. theta energy: -12.321
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -242.397791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.397791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.197791 (E_RNA)
where:
Base-Base interactions energy: -127.052
where: short stacking energy: -57.136
Base-Backbone interact. energy: -0.309
local terms energy: -80.836754
where:
bonds (distance) C4'-P energy: -16.320
bonds (distance) P-C4' energy: -25.482
flat angles C4'-P-C4' energy: -13.610
flat angles P-C4'-P energy: -14.391
tors. eta vs tors. theta energy: -11.034
Dist. restrs. and SS energy: -34.200 (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: 7
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -411.339310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.339310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.139310 (E_RNA)
where:
Base-Base interactions energy: -253.285
where: short stacking energy: -98.920
Base-Backbone interact. energy: -0.612
local terms energy: -114.242033
where:
bonds (distance) C4'-P energy: -22.288
bonds (distance) P-C4' energy: -24.218
flat angles C4'-P-C4' energy: -19.218
flat angles P-C4'-P energy: -19.389
tors. eta vs tors. theta energy: -29.129
Dist. restrs. and SS energy: -43.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -408.876341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.876341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.476341 (E_RNA)
where:
Base-Base interactions energy: -251.367
where: short stacking energy: -103.530
Base-Backbone interact. energy: -0.487
local terms energy: -106.622695
where:
bonds (distance) C4'-P energy: -17.517
bonds (distance) P-C4' energy: -21.280
flat angles C4'-P-C4' energy: -25.174
flat angles P-C4'-P energy: -16.637
tors. eta vs tors. theta energy: -26.015
Dist. restrs. and SS energy: -50.400 (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: 354
Temperature: 1.000000
Total energy: -405.497966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.497966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.097966 (E_RNA)
where:
Base-Base interactions energy: -248.930
where: short stacking energy: -100.565
Base-Backbone interact. energy: -1.437
local terms energy: -104.731330
where:
bonds (distance) C4'-P energy: -19.829
bonds (distance) P-C4' energy: -18.122
flat angles C4'-P-C4' energy: -24.632
flat angles P-C4'-P energy: -14.807
tors. eta vs tors. theta energy: -27.340
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -397.393438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.393438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.993438 (E_RNA)
where:
Base-Base interactions energy: -236.646
where: short stacking energy: -100.742
Base-Backbone interact. energy: 0.247
local terms energy: -110.594490
where:
bonds (distance) C4'-P energy: -24.879
bonds (distance) P-C4' energy: -21.579
flat angles C4'-P-C4' energy: -21.517
flat angles P-C4'-P energy: -16.389
tors. eta vs tors. theta energy: -26.231
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -384.344435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.344435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.944435 (E_RNA)
where:
Base-Base interactions energy: -222.394
where: short stacking energy: -93.754
Base-Backbone interact. energy: -0.324
local terms energy: -111.226418
where:
bonds (distance) C4'-P energy: -21.122
bonds (distance) P-C4' energy: -19.553
flat angles C4'-P-C4' energy: -24.333
flat angles P-C4'-P energy: -15.346
tors. eta vs tors. theta energy: -30.873
Dist. restrs. and SS energy: -50.400 (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: 3
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -319.804494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.804494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.604494 (E_RNA)
where:
Base-Base interactions energy: -193.403
where: short stacking energy: -74.995
Base-Backbone interact. energy: -0.691
local terms energy: -91.511058
where:
bonds (distance) C4'-P energy: -21.038
bonds (distance) P-C4' energy: -22.912
flat angles C4'-P-C4' energy: -14.192
flat angles P-C4'-P energy: -16.469
tors. eta vs tors. theta energy: -16.900
Dist. restrs. and SS energy: -34.200 (S_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: 354
Temperature: 1.200000
Total energy: -288.436028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.436028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.236028 (E_RNA)
where:
Base-Base interactions energy: -164.031
where: short stacking energy: -76.118
Base-Backbone interact. energy: -0.816
local terms energy: -89.389472
where:
bonds (distance) C4'-P energy: -19.879
bonds (distance) P-C4' energy: -15.204
flat angles C4'-P-C4' energy: -20.009
flat angles P-C4'-P energy: -15.472
tors. eta vs tors. theta energy: -18.825
Dist. restrs. and SS energy: -34.200 (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: 354
Temperature: 1.250000
Total energy: -276.250297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.250297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.250297 (E_RNA)
where:
Base-Base interactions energy: -157.576
where: short stacking energy: -66.683
Base-Backbone interact. energy: -0.437
local terms energy: -82.237099
where:
bonds (distance) C4'-P energy: -16.973
bonds (distance) P-C4' energy: -19.439
flat angles C4'-P-C4' energy: -18.965
flat angles P-C4'-P energy: -13.066
tors. eta vs tors. theta energy: -13.793
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -251.774447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.774447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.774447 (E_RNA)
where:
Base-Base interactions energy: -133.146
where: short stacking energy: -58.682
Base-Backbone interact. energy: 1.989
local terms energy: -84.618172
where:
bonds (distance) C4'-P energy: -23.906
bonds (distance) P-C4' energy: -19.660
flat angles C4'-P-C4' energy: -14.773
flat angles P-C4'-P energy: -16.206
tors. eta vs tors. theta energy: -10.073
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -243.834321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.834321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.634321 (E_RNA)
where:
Base-Base interactions energy: -130.239
where: short stacking energy: -49.327
Base-Backbone interact. energy: -0.664
local terms energy: -78.731333
where:
bonds (distance) C4'-P energy: -17.970
bonds (distance) P-C4' energy: -18.408
flat angles C4'-P-C4' energy: -20.884
flat angles P-C4'-P energy: -13.749
tors. eta vs tors. theta energy: -7.720
Dist. restrs. and SS energy: -34.200 (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: 7
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -412.317909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.317909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.117909 (E_RNA)
where:
Base-Base interactions energy: -263.140
where: short stacking energy: -103.547
Base-Backbone interact. energy: -1.387
local terms energy: -104.590667
where:
bonds (distance) C4'-P energy: -23.472
bonds (distance) P-C4' energy: -18.317
flat angles C4'-P-C4' energy: -26.005
flat angles P-C4'-P energy: -9.850
tors. eta vs tors. theta energy: -26.947
Dist. restrs. and SS energy: -43.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -408.201931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.201931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.401931 (E_RNA)
where:
Base-Base interactions energy: -246.873
where: short stacking energy: -105.899
Base-Backbone interact. energy: -0.474
local terms energy: -114.054661
where:
bonds (distance) C4'-P energy: -21.879
bonds (distance) P-C4' energy: -21.793
flat angles C4'-P-C4' energy: -22.386
flat angles P-C4'-P energy: -17.499
tors. eta vs tors. theta energy: -30.498
Dist. restrs. and SS energy: -46.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -398.144365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.144365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.744365 (E_RNA)
where:
Base-Base interactions energy: -238.020
where: short stacking energy: -101.710
Base-Backbone interact. energy: -0.856
local terms energy: -108.869036
where:
bonds (distance) C4'-P energy: -17.075
bonds (distance) P-C4' energy: -20.751
flat angles C4'-P-C4' energy: -23.175
flat angles P-C4'-P energy: -19.807
tors. eta vs tors. theta energy: -28.060
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -385.038201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.038201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.638201 (E_RNA)
where:
Base-Base interactions energy: -242.849
where: short stacking energy: -86.257
Base-Backbone interact. energy: -0.653
local terms energy: -91.136788
where:
bonds (distance) C4'-P energy: -19.283
bonds (distance) P-C4' energy: -15.079
flat angles C4'-P-C4' energy: -18.220
flat angles P-C4'-P energy: -14.401
tors. eta vs tors. theta energy: -24.154
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -376.049770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.049770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.449770 (E_RNA)
where:
Base-Base interactions energy: -229.608
where: short stacking energy: -96.587
Base-Backbone interact. energy: -1.405
local terms energy: -96.436122
where:
bonds (distance) C4'-P energy: -22.928
bonds (distance) P-C4' energy: -19.195
flat angles C4'-P-C4' energy: -22.752
flat angles P-C4'-P energy: -9.661
tors. eta vs tors. theta energy: -21.899
Dist. restrs. and SS energy: -48.600 (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: 3
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -358.277598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.277598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.277598 (E_RNA)
where:
Base-Base interactions energy: -219.670
where: short stacking energy: -95.977
Base-Backbone interact. energy: -0.218
local terms energy: -102.389294
where:
bonds (distance) C4'-P energy: -20.219
bonds (distance) P-C4' energy: -24.697
flat angles C4'-P-C4' energy: -22.185
flat angles P-C4'-P energy: -16.352
tors. eta vs tors. theta energy: -18.935
Dist. restrs. and SS energy: -36.000 (S_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: 355
Temperature: 1.200000
Total energy: -280.124278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.124278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.124278 (E_RNA)
where:
Base-Base interactions energy: -166.222
where: short stacking energy: -76.986
Base-Backbone interact. energy: -0.250
local terms energy: -77.651795
where:
bonds (distance) C4'-P energy: -18.902
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -14.010
flat angles P-C4'-P energy: -11.501
tors. eta vs tors. theta energy: -17.040
Dist. restrs. and SS energy: -36.000 (S_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: 355
Temperature: 1.250000
Total energy: -263.657052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.657052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.657052 (E_RNA)
where:
Base-Base interactions energy: -146.080
where: short stacking energy: -59.158
Base-Backbone interact. energy: 0.734
local terms energy: -82.311178
where:
bonds (distance) C4'-P energy: -19.258
bonds (distance) P-C4' energy: -24.853
flat angles C4'-P-C4' energy: -18.079
flat angles P-C4'-P energy: -10.091
tors. eta vs tors. theta energy: -10.030
Dist. restrs. and SS energy: -36.000 (S_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: 355
Temperature: 1.300000
Total energy: -275.090036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.090036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.090036 (E_RNA)
where:
Base-Base interactions energy: -156.462
where: short stacking energy: -65.957
Base-Backbone interact. energy: -0.659
local terms energy: -81.968854
where:
bonds (distance) C4'-P energy: -15.346
bonds (distance) P-C4' energy: -16.837
flat angles C4'-P-C4' energy: -20.871
flat angles P-C4'-P energy: -13.467
tors. eta vs tors. theta energy: -15.449
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -248.723106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.723106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.723106 (E_RNA)
where:
Base-Base interactions energy: -130.553
where: short stacking energy: -64.098
Base-Backbone interact. energy: 0.322
local terms energy: -82.491460
where:
bonds (distance) C4'-P energy: -19.478
bonds (distance) P-C4' energy: -14.232
flat angles C4'-P-C4' energy: -18.739
flat angles P-C4'-P energy: -15.120
tors. eta vs tors. theta energy: -14.923
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -415.290273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.290273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.890273 (E_RNA)
where:
Base-Base interactions energy: -261.359
where: short stacking energy: -106.347
Base-Backbone interact. energy: -0.934
local terms energy: -102.597481
where:
bonds (distance) C4'-P energy: -22.835
bonds (distance) P-C4' energy: -20.297
flat angles C4'-P-C4' energy: -18.202
flat angles P-C4'-P energy: -13.522
tors. eta vs tors. theta energy: -27.741
Dist. restrs. and SS energy: -50.400 (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: 8
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -410.986551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.986551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.386551 (E_RNA)
where:
Base-Base interactions energy: -252.612
where: short stacking energy: -100.102
Base-Backbone interact. energy: -0.998
local terms energy: -108.777097
where:
bonds (distance) C4'-P energy: -20.083
bonds (distance) P-C4' energy: -19.681
flat angles C4'-P-C4' energy: -20.615
flat angles P-C4'-P energy: -19.010
tors. eta vs tors. theta energy: -29.389
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -400.202759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.202759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.802759 (E_RNA)
where:
Base-Base interactions energy: -240.888
where: short stacking energy: -91.690
Base-Backbone interact. energy: -0.121
local terms energy: -108.793907
where:
bonds (distance) C4'-P energy: -21.866
bonds (distance) P-C4' energy: -20.323
flat angles C4'-P-C4' energy: -22.138
flat angles P-C4'-P energy: -16.704
tors. eta vs tors. theta energy: -27.762
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -385.253218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.253218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.653218 (E_RNA)
where:
Base-Base interactions energy: -228.651
where: short stacking energy: -91.158
Base-Backbone interact. energy: -0.781
local terms energy: -107.220334
where:
bonds (distance) C4'-P energy: -21.182
bonds (distance) P-C4' energy: -23.690
flat angles C4'-P-C4' energy: -24.857
flat angles P-C4'-P energy: -12.697
tors. eta vs tors. theta energy: -24.795
Dist. restrs. and SS energy: -48.600 (S_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: 356
Temperature: 1.100000
Total energy: -348.922239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.922239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.922239 (E_RNA)
where:
Base-Base interactions energy: -210.181
where: short stacking energy: -93.056
Base-Backbone interact. energy: 0.197
local terms energy: -102.937770
where:
bonds (distance) C4'-P energy: -20.674
bonds (distance) P-C4' energy: -20.282
flat angles C4'-P-C4' energy: -23.770
flat angles P-C4'-P energy: -16.908
tors. eta vs tors. theta energy: -21.303
Dist. restrs. and SS energy: -36.000 (S_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: 356
Temperature: 1.150000
Total energy: -383.630461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.630461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.230461 (E_RNA)
where:
Base-Base interactions energy: -229.929
where: short stacking energy: -90.766
Base-Backbone interact. energy: -0.220
local terms energy: -103.081650
where:
bonds (distance) C4'-P energy: -23.159
bonds (distance) P-C4' energy: -19.827
flat angles C4'-P-C4' energy: -19.436
flat angles P-C4'-P energy: -13.319
tors. eta vs tors. theta energy: -27.340
Dist. restrs. and SS energy: -50.400 (S_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: 356
Temperature: 1.200000
Total energy: -295.436772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.436772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.436772 (E_RNA)
where:
Base-Base interactions energy: -163.220
where: short stacking energy: -81.009
Base-Backbone interact. energy: -0.559
local terms energy: -95.657905
where:
bonds (distance) C4'-P energy: -21.595
bonds (distance) P-C4' energy: -26.964
flat angles C4'-P-C4' energy: -14.965
flat angles P-C4'-P energy: -9.604
tors. eta vs tors. theta energy: -22.530
Dist. restrs. and SS energy: -36.000 (S_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: 356
Temperature: 1.250000
Total energy: -265.301151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.301151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.301151 (E_RNA)
where:
Base-Base interactions energy: -145.809
where: short stacking energy: -72.958
Base-Backbone interact. energy: -0.588
local terms energy: -82.904738
where:
bonds (distance) C4'-P energy: -16.698
bonds (distance) P-C4' energy: -20.980
flat angles C4'-P-C4' energy: -19.166
flat angles P-C4'-P energy: -11.951
tors. eta vs tors. theta energy: -14.109
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -244.048483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.048483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.048483 (E_RNA)
where:
Base-Base interactions energy: -127.033
where: short stacking energy: -61.192
Base-Backbone interact. energy: -0.161
local terms energy: -80.854293
where:
bonds (distance) C4'-P energy: -14.618
bonds (distance) P-C4' energy: -23.943
flat angles C4'-P-C4' energy: -19.232
flat angles P-C4'-P energy: -7.405
tors. eta vs tors. theta energy: -15.656
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -255.534095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.534095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.534095 (E_RNA)
where:
Base-Base interactions energy: -128.675
where: short stacking energy: -59.415
Base-Backbone interact. energy: -0.104
local terms energy: -90.754901
where:
bonds (distance) C4'-P energy: -15.258
bonds (distance) P-C4' energy: -19.176
flat angles C4'-P-C4' energy: -24.356
flat angles P-C4'-P energy: -15.358
tors. eta vs tors. theta energy: -16.607
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -414.672739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.672739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.272739 (E_RNA)
where:
Base-Base interactions energy: -254.243
where: short stacking energy: -94.178
Base-Backbone interact. energy: -1.593
local terms energy: -108.437412
where:
bonds (distance) C4'-P energy: -23.746
bonds (distance) P-C4' energy: -23.341
flat angles C4'-P-C4' energy: -20.181
flat angles P-C4'-P energy: -12.815
tors. eta vs tors. theta energy: -28.354
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -414.228862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.228862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.628862 (E_RNA)
where:
Base-Base interactions energy: -251.300
where: short stacking energy: -106.496
Base-Backbone interact. energy: -0.066
local terms energy: -114.263154
where:
bonds (distance) C4'-P energy: -21.033
bonds (distance) P-C4' energy: -23.312
flat angles C4'-P-C4' energy: -21.850
flat angles P-C4'-P energy: -18.477
tors. eta vs tors. theta energy: -29.591
Dist. restrs. and SS energy: -48.600 (S_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: 357
Temperature: 1.000000
Total energy: -392.960108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.960108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.360108 (E_RNA)
where:
Base-Base interactions energy: -241.952
where: short stacking energy: -90.688
Base-Backbone interact. energy: 0.687
local terms energy: -103.094678
where:
bonds (distance) C4'-P energy: -23.298
bonds (distance) P-C4' energy: -22.944
flat angles C4'-P-C4' energy: -18.477
flat angles P-C4'-P energy: -16.457
tors. eta vs tors. theta energy: -21.919
Dist. restrs. and SS energy: -48.600 (S_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: 357
Temperature: 1.050000
Total energy: -386.717300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.717300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.117300 (E_RNA)
where:
Base-Base interactions energy: -236.062
where: short stacking energy: -93.702
Base-Backbone interact. energy: 0.551
local terms energy: -102.606709
where:
bonds (distance) C4'-P energy: -18.906
bonds (distance) P-C4' energy: -20.593
flat angles C4'-P-C4' energy: -22.017
flat angles P-C4'-P energy: -18.105
tors. eta vs tors. theta energy: -22.985
Dist. restrs. and SS energy: -48.600 (S_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: 357
Temperature: 1.100000
Total energy: -334.396964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.396964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.196964 (E_RNA)
where:
Base-Base interactions energy: -197.845
where: short stacking energy: -90.545
Base-Backbone interact. energy: -0.060
local terms energy: -102.292550
where:
bonds (distance) C4'-P energy: -20.277
bonds (distance) P-C4' energy: -22.163
flat angles C4'-P-C4' energy: -20.923
flat angles P-C4'-P energy: -16.660
tors. eta vs tors. theta energy: -22.270
Dist. restrs. and SS energy: -34.200 (S_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: -367.580641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.580641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.180641 (E_RNA)
where:
Base-Base interactions energy: -220.223
where: short stacking energy: -84.815
Base-Backbone interact. energy: -0.872
local terms energy: -96.085676
where:
bonds (distance) C4'-P energy: -15.984
bonds (distance) P-C4' energy: -25.247
flat angles C4'-P-C4' energy: -19.366
flat angles P-C4'-P energy: -13.831
tors. eta vs tors. theta energy: -21.657
Dist. restrs. and SS energy: -50.400 (S_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: 357
Temperature: 1.200000
Total energy: -281.873683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.873683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.873683 (E_RNA)
where:
Base-Base interactions energy: -160.419
where: short stacking energy: -66.853
Base-Backbone interact. energy: 1.062
local terms energy: -86.516402
where:
bonds (distance) C4'-P energy: -18.782
bonds (distance) P-C4' energy: -19.469
flat angles C4'-P-C4' energy: -17.790
flat angles P-C4'-P energy: -13.333
tors. eta vs tors. theta energy: -17.142
Dist. restrs. and SS energy: -36.000 (S_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: 357
Temperature: 1.250000
Total energy: -268.636141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.636141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.436141 (E_RNA)
where:
Base-Base interactions energy: -146.901
where: short stacking energy: -69.534
Base-Backbone interact. energy: 0.261
local terms energy: -87.795414
where:
bonds (distance) C4'-P energy: -19.026
bonds (distance) P-C4' energy: -22.087
flat angles C4'-P-C4' energy: -17.595
flat angles P-C4'-P energy: -12.300
tors. eta vs tors. theta energy: -16.788
Dist. restrs. and SS energy: -34.200 (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: 2
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -263.332303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.332303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.132303 (E_RNA)
where:
Base-Base interactions energy: -155.504
where: short stacking energy: -68.960
Base-Backbone interact. energy: -0.590
local terms energy: -73.038472
where:
bonds (distance) C4'-P energy: -20.280
bonds (distance) P-C4' energy: -19.373
flat angles C4'-P-C4' energy: -12.622
flat angles P-C4'-P energy: -12.650
tors. eta vs tors. theta energy: -8.113
Dist. restrs. and SS energy: -34.200 (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: 4
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -259.470086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.470086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.470086 (E_RNA)
where:
Base-Base interactions energy: -134.888
where: short stacking energy: -65.253
Base-Backbone interact. energy: -0.913
local terms energy: -87.668944
where:
bonds (distance) C4'-P energy: -22.844
bonds (distance) P-C4' energy: -14.874
flat angles C4'-P-C4' energy: -21.942
flat angles P-C4'-P energy: -15.216
tors. eta vs tors. theta energy: -12.794
Dist. restrs. and SS energy: -36.000 (S_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: 358
Temperature: 0.900000
Total energy: -410.411212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.411212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.011212 (E_RNA)
where:
Base-Base interactions energy: -244.209
where: short stacking energy: -92.793
Base-Backbone interact. energy: -0.033
local terms energy: -115.769114
where:
bonds (distance) C4'-P energy: -23.042
bonds (distance) P-C4' energy: -23.431
flat angles C4'-P-C4' energy: -26.705
flat angles P-C4'-P energy: -16.314
tors. eta vs tors. theta energy: -26.277
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -405.379472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.379472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.979472 (E_RNA)
where:
Base-Base interactions energy: -254.161
where: short stacking energy: -93.887
Base-Backbone interact. energy: 0.262
local terms energy: -101.080465
where:
bonds (distance) C4'-P energy: -17.920
bonds (distance) P-C4' energy: -20.557
flat angles C4'-P-C4' energy: -21.558
flat angles P-C4'-P energy: -13.344
tors. eta vs tors. theta energy: -27.701
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -393.251799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.251799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.851799 (E_RNA)
where:
Base-Base interactions energy: -241.351
where: short stacking energy: -87.831
Base-Backbone interact. energy: -0.882
local terms energy: -100.619271
where:
bonds (distance) C4'-P energy: -15.489
bonds (distance) P-C4' energy: -18.053
flat angles C4'-P-C4' energy: -24.834
flat angles P-C4'-P energy: -18.502
tors. eta vs tors. theta energy: -23.741
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -384.241272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.241272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.841272 (E_RNA)
where:
Base-Base interactions energy: -229.583
where: short stacking energy: -90.976
Base-Backbone interact. energy: -0.853
local terms energy: -103.405206
where:
bonds (distance) C4'-P energy: -16.552
bonds (distance) P-C4' energy: -20.085
flat angles C4'-P-C4' energy: -22.317
flat angles P-C4'-P energy: -18.780
tors. eta vs tors. theta energy: -25.672
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -383.613934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.613934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.013934 (E_RNA)
where:
Base-Base interactions energy: -232.067
where: short stacking energy: -88.778
Base-Backbone interact. energy: -0.484
local terms energy: -102.462701
where:
bonds (distance) C4'-P energy: -16.708
bonds (distance) P-C4' energy: -19.727
flat angles C4'-P-C4' energy: -22.798
flat angles P-C4'-P energy: -17.207
tors. eta vs tors. theta energy: -26.022
Dist. restrs. and SS energy: -48.600 (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: 3
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -314.574895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.574895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.574895 (E_RNA)
where:
Base-Base interactions energy: -180.830
where: short stacking energy: -83.504
Base-Backbone interact. energy: 0.663
local terms energy: -98.408541
where:
bonds (distance) C4'-P energy: -24.776
bonds (distance) P-C4' energy: -19.100
flat angles C4'-P-C4' energy: -16.437
flat angles P-C4'-P energy: -16.294
tors. eta vs tors. theta energy: -21.801
Dist. restrs. and SS energy: -36.000 (S_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: 358
Temperature: 1.200000
Total energy: -316.750203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.750203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.350203 (E_RNA)
where:
Base-Base interactions energy: -171.544
where: short stacking energy: -84.275
Base-Backbone interact. energy: -0.284
local terms energy: -103.522247
where:
bonds (distance) C4'-P energy: -21.986
bonds (distance) P-C4' energy: -24.829
flat angles C4'-P-C4' energy: -19.696
flat angles P-C4'-P energy: -14.727
tors. eta vs tors. theta energy: -22.284
Dist. restrs. and SS energy: -41.400 (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: 6
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -253.642441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.642441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.642441 (E_RNA)
where:
Base-Base interactions energy: -135.249
where: short stacking energy: -66.552
Base-Backbone interact. energy: -0.379
local terms energy: -82.014635
where:
bonds (distance) C4'-P energy: -20.638
bonds (distance) P-C4' energy: -15.770
flat angles C4'-P-C4' energy: -19.280
flat angles P-C4'-P energy: -13.400
tors. eta vs tors. theta energy: -12.926
Dist. restrs. and SS energy: -36.000 (S_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: 358
Temperature: 1.300000
Total energy: -269.349142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.349142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.349142 (E_RNA)
where:
Base-Base interactions energy: -149.802
where: short stacking energy: -62.954
Base-Backbone interact. energy: -0.764
local terms energy: -82.782684
where:
bonds (distance) C4'-P energy: -17.241
bonds (distance) P-C4' energy: -14.185
flat angles C4'-P-C4' energy: -22.108
flat angles P-C4'-P energy: -14.932
tors. eta vs tors. theta energy: -14.316
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -263.647407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.647407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.647407 (E_RNA)
where:
Base-Base interactions energy: -148.298
where: short stacking energy: -69.187
Base-Backbone interact. energy: -0.573
local terms energy: -78.776011
where:
bonds (distance) C4'-P energy: -16.376
bonds (distance) P-C4' energy: -18.756
flat angles C4'-P-C4' energy: -22.091
flat angles P-C4'-P energy: -12.145
tors. eta vs tors. theta energy: -9.408
Dist. restrs. and SS energy: -36.000 (S_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: 359
Temperature: 0.900000
Total energy: -418.142268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.142268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.742268 (E_RNA)
where:
Base-Base interactions energy: -261.184
where: short stacking energy: -108.314
Base-Backbone interact. energy: -0.703
local terms energy: -105.855048
where:
bonds (distance) C4'-P energy: -20.177
bonds (distance) P-C4' energy: -25.561
flat angles C4'-P-C4' energy: -22.419
flat angles P-C4'-P energy: -11.522
tors. eta vs tors. theta energy: -26.175
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -403.269385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.269385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.869385 (E_RNA)
where:
Base-Base interactions energy: -249.045
where: short stacking energy: -99.194
Base-Backbone interact. energy: 0.100
local terms energy: -103.924067
where:
bonds (distance) C4'-P energy: -20.843
bonds (distance) P-C4' energy: -20.794
flat angles C4'-P-C4' energy: -19.402
flat angles P-C4'-P energy: -18.230
tors. eta vs tors. theta energy: -24.655
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -406.916585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.916585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.516585 (E_RNA)
where:
Base-Base interactions energy: -248.648
where: short stacking energy: -97.398
Base-Backbone interact. energy: -0.612
local terms energy: -107.256524
where:
bonds (distance) C4'-P energy: -15.589
bonds (distance) P-C4' energy: -22.897
flat angles C4'-P-C4' energy: -23.821
flat angles P-C4'-P energy: -15.814
tors. eta vs tors. theta energy: -29.134
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -397.160393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.160393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.760393 (E_RNA)
where:
Base-Base interactions energy: -245.931
where: short stacking energy: -92.271
Base-Backbone interact. energy: -0.440
local terms energy: -100.389514
where:
bonds (distance) C4'-P energy: -18.857
bonds (distance) P-C4' energy: -21.684
flat angles C4'-P-C4' energy: -20.766
flat angles P-C4'-P energy: -13.368
tors. eta vs tors. theta energy: -25.715
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -366.186491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.186491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.586491 (E_RNA)
where:
Base-Base interactions energy: -230.038
where: short stacking energy: -87.125
Base-Backbone interact. energy: -0.462
local terms energy: -87.086914
where:
bonds (distance) C4'-P energy: -15.081
bonds (distance) P-C4' energy: -17.694
flat angles C4'-P-C4' energy: -21.730
flat angles P-C4'-P energy: -11.809
tors. eta vs tors. theta energy: -20.772
Dist. restrs. and SS energy: -48.600 (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: 9
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -288.411795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.411795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.411795 (E_RNA)
where:
Base-Base interactions energy: -161.658
where: short stacking energy: -71.843
Base-Backbone interact. energy: 0.715
local terms energy: -91.468409
where:
bonds (distance) C4'-P energy: -19.737
bonds (distance) P-C4' energy: -16.463
flat angles C4'-P-C4' energy: -17.537
flat angles P-C4'-P energy: -18.588
tors. eta vs tors. theta energy: -19.144
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -323.241818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.241818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.241818 (E_RNA)
where:
Base-Base interactions energy: -187.796
where: short stacking energy: -92.450
Base-Backbone interact. energy: -0.676
local terms energy: -98.770447
where:
bonds (distance) C4'-P energy: -19.003
bonds (distance) P-C4' energy: -21.711
flat angles C4'-P-C4' energy: -18.162
flat angles P-C4'-P energy: -14.462
tors. eta vs tors. theta energy: -25.432
Dist. restrs. and SS energy: -36.000 (S_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: 359
Temperature: 1.250000
Total energy: -277.548855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.548855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.548855 (E_RNA)
where:
Base-Base interactions energy: -153.944
where: short stacking energy: -78.787
Base-Backbone interact. energy: -0.908
local terms energy: -86.697483
where:
bonds (distance) C4'-P energy: -16.909
bonds (distance) P-C4' energy: -17.168
flat angles C4'-P-C4' energy: -19.190
flat angles P-C4'-P energy: -12.593
tors. eta vs tors. theta energy: -20.837
Dist. restrs. and SS energy: -36.000 (S_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: 359
Temperature: 1.300000
Total energy: -251.007998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.007998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.007998 (E_RNA)
where:
Base-Base interactions energy: -137.193
where: short stacking energy: -61.072
Base-Backbone interact. energy: -0.683
local terms energy: -77.132167
where:
bonds (distance) C4'-P energy: -19.302
bonds (distance) P-C4' energy: -13.277
flat angles C4'-P-C4' energy: -23.809
flat angles P-C4'-P energy: -13.110
tors. eta vs tors. theta energy: -7.634
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -266.726511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.726511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.726511 (E_RNA)
where:
Base-Base interactions energy: -131.233
where: short stacking energy: -61.182
Base-Backbone interact. energy: -0.190
local terms energy: -99.303644
where:
bonds (distance) C4'-P energy: -24.988
bonds (distance) P-C4' energy: -19.958
flat angles C4'-P-C4' energy: -21.413
flat angles P-C4'-P energy: -16.437
tors. eta vs tors. theta energy: -16.508
Dist. restrs. and SS energy: -36.000 (S_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: -419.397170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.397170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.997170 (E_RNA)
where:
Base-Base interactions energy: -253.878
where: short stacking energy: -98.942
Base-Backbone interact. energy: -0.897
local terms energy: -114.221580
where:
bonds (distance) C4'-P energy: -18.170
bonds (distance) P-C4' energy: -19.355
flat angles C4'-P-C4' energy: -27.100
flat angles P-C4'-P energy: -19.303
tors. eta vs tors. theta energy: -30.293
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -408.851170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.851170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.251170 (E_RNA)
where:
Base-Base interactions energy: -243.198
where: short stacking energy: -84.975
Base-Backbone interact. energy: -0.898
local terms energy: -116.154693
where:
bonds (distance) C4'-P energy: -25.877
bonds (distance) P-C4' energy: -24.735
flat angles C4'-P-C4' energy: -24.169
flat angles P-C4'-P energy: -14.899
tors. eta vs tors. theta energy: -26.474
Dist. restrs. and SS energy: -48.600 (S_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: 360
Temperature: 1.000000
Total energy: -410.685961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.685961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.285961 (E_RNA)
where:
Base-Base interactions energy: -243.947
where: short stacking energy: -96.107
Base-Backbone interact. energy: -1.319
local terms energy: -115.020164
where:
bonds (distance) C4'-P energy: -20.728
bonds (distance) P-C4' energy: -21.021
flat angles C4'-P-C4' energy: -23.052
flat angles P-C4'-P energy: -18.886
tors. eta vs tors. theta energy: -31.333
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -387.770111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.770111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.370111 (E_RNA)
where:
Base-Base interactions energy: -240.548
where: short stacking energy: -98.951
Base-Backbone interact. energy: -0.383
local terms energy: -96.439563
where:
bonds (distance) C4'-P energy: -11.627
bonds (distance) P-C4' energy: -18.686
flat angles C4'-P-C4' energy: -20.166
flat angles P-C4'-P energy: -14.372
tors. eta vs tors. theta energy: -31.589
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -369.842555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.842555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.442555 (E_RNA)
where:
Base-Base interactions energy: -226.390
where: short stacking energy: -89.237
Base-Backbone interact. energy: -2.039
local terms energy: -91.014025
where:
bonds (distance) C4'-P energy: -15.495
bonds (distance) P-C4' energy: -19.748
flat angles C4'-P-C4' energy: -22.506
flat angles P-C4'-P energy: -16.565
tors. eta vs tors. theta energy: -16.699
Dist. restrs. and SS energy: -50.400 (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: 9
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -267.624365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.624365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.624365 (E_RNA)
where:
Base-Base interactions energy: -139.849
where: short stacking energy: -61.590
Base-Backbone interact. energy: -0.472
local terms energy: -91.303058
where:
bonds (distance) C4'-P energy: -23.464
bonds (distance) P-C4' energy: -25.728
flat angles C4'-P-C4' energy: -18.673
flat angles P-C4'-P energy: -13.689
tors. eta vs tors. theta energy: -9.750
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -312.886036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.886036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.886036 (E_RNA)
where:
Base-Base interactions energy: -178.321
where: short stacking energy: -85.839
Base-Backbone interact. energy: -0.092
local terms energy: -98.473199
where:
bonds (distance) C4'-P energy: -19.165
bonds (distance) P-C4' energy: -16.300
flat angles C4'-P-C4' energy: -23.503
flat angles P-C4'-P energy: -15.192
tors. eta vs tors. theta energy: -24.314
Dist. restrs. and SS energy: -36.000 (S_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: 360
Temperature: 1.250000
Total energy: -286.717395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.717395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.717395 (E_RNA)
where:
Base-Base interactions energy: -165.540
where: short stacking energy: -68.097
Base-Backbone interact. energy: -0.327
local terms energy: -84.850489
where:
bonds (distance) C4'-P energy: -19.042
bonds (distance) P-C4' energy: -22.841
flat angles C4'-P-C4' energy: -14.277
flat angles P-C4'-P energy: -16.773
tors. eta vs tors. theta energy: -11.917
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -271.888279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.888279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.688279 (E_RNA)
where:
Base-Base interactions energy: -145.877
where: short stacking energy: -61.270
Base-Backbone interact. energy: -0.240
local terms energy: -91.571823
where:
bonds (distance) C4'-P energy: -20.069
bonds (distance) P-C4' energy: -20.971
flat angles C4'-P-C4' energy: -22.892
flat angles P-C4'-P energy: -17.806
tors. eta vs tors. theta energy: -9.833
Dist. restrs. and SS energy: -34.200 (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: 6
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -235.237161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.237161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.237161 (E_RNA)
where:
Base-Base interactions energy: -120.643
where: short stacking energy: -53.988
Base-Backbone interact. energy: 0.089
local terms energy: -78.682270
where:
bonds (distance) C4'-P energy: -19.722
bonds (distance) P-C4' energy: -17.780
flat angles C4'-P-C4' energy: -19.521
flat angles P-C4'-P energy: -16.848
tors. eta vs tors. theta energy: -4.812
Dist. restrs. and SS energy: -36.000 (S_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: -422.070302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.070302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.670302 (E_RNA)
where:
Base-Base interactions energy: -263.156
where: short stacking energy: -102.499
Base-Backbone interact. energy: -0.459
local terms energy: -108.056020
where:
bonds (distance) C4'-P energy: -19.961
bonds (distance) P-C4' energy: -21.365
flat angles C4'-P-C4' energy: -22.423
flat angles P-C4'-P energy: -15.960
tors. eta vs tors. theta energy: -28.347
Dist. restrs. and SS energy: -50.400 (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: 8
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -416.232843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.232843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.832843 (E_RNA)
where:
Base-Base interactions energy: -254.743
where: short stacking energy: -95.374
Base-Backbone interact. energy: 1.161
local terms energy: -112.251284
where:
bonds (distance) C4'-P energy: -23.647
bonds (distance) P-C4' energy: -25.347
flat angles C4'-P-C4' energy: -19.039
flat angles P-C4'-P energy: -16.041
tors. eta vs tors. theta energy: -28.178
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -402.011775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.011775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.611775 (E_RNA)
where:
Base-Base interactions energy: -244.832
where: short stacking energy: -92.588
Base-Backbone interact. energy: -0.898
local terms energy: -105.882071
where:
bonds (distance) C4'-P energy: -22.094
bonds (distance) P-C4' energy: -21.227
flat angles C4'-P-C4' energy: -21.049
flat angles P-C4'-P energy: -13.873
tors. eta vs tors. theta energy: -27.639
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -394.347739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.347739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.947739 (E_RNA)
where:
Base-Base interactions energy: -232.147
where: short stacking energy: -94.267
Base-Backbone interact. energy: -0.807
local terms energy: -110.994004
where:
bonds (distance) C4'-P energy: -23.045
bonds (distance) P-C4' energy: -21.543
flat angles C4'-P-C4' energy: -21.766
flat angles P-C4'-P energy: -17.267
tors. eta vs tors. theta energy: -27.373
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -386.530275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.530275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.130275 (E_RNA)
where:
Base-Base interactions energy: -237.398
where: short stacking energy: -79.460
Base-Backbone interact. energy: -0.784
local terms energy: -97.948263
where:
bonds (distance) C4'-P energy: -15.282
bonds (distance) P-C4' energy: -23.456
flat angles C4'-P-C4' energy: -18.428
flat angles P-C4'-P energy: -15.974
tors. eta vs tors. theta energy: -24.808
Dist. restrs. and SS energy: -50.400 (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: 4
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -303.247440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.247440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.247440 (E_RNA)
where:
Base-Base interactions energy: -172.101
where: short stacking energy: -66.813
Base-Backbone interact. energy: -0.586
local terms energy: -94.561219
where:
bonds (distance) C4'-P energy: -17.952
bonds (distance) P-C4' energy: -22.618
flat angles C4'-P-C4' energy: -23.310
flat angles P-C4'-P energy: -9.379
tors. eta vs tors. theta energy: -21.302
Dist. restrs. and SS energy: -36.000 (S_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: 361
Temperature: 1.200000
Total energy: -283.113841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.113841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.113841 (E_RNA)
where:
Base-Base interactions energy: -156.053
where: short stacking energy: -82.813
Base-Backbone interact. energy: 0.453
local terms energy: -91.512999
where:
bonds (distance) C4'-P energy: -14.105
bonds (distance) P-C4' energy: -20.082
flat angles C4'-P-C4' energy: -22.501
flat angles P-C4'-P energy: -17.046
tors. eta vs tors. theta energy: -17.779
Dist. restrs. and SS energy: -36.000 (S_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: 361
Temperature: 1.250000
Total energy: -267.773313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.773313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.773313 (E_RNA)
where:
Base-Base interactions energy: -143.241
where: short stacking energy: -77.893
Base-Backbone interact. energy: -0.039
local terms energy: -88.493781
where:
bonds (distance) C4'-P energy: -16.426
bonds (distance) P-C4' energy: -21.426
flat angles C4'-P-C4' energy: -21.681
flat angles P-C4'-P energy: -13.604
tors. eta vs tors. theta energy: -15.357
Dist. restrs. and SS energy: -36.000 (S_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: 361
Temperature: 1.300000
Total energy: -259.163764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.163764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.163764 (E_RNA)
where:
Base-Base interactions energy: -144.680
where: short stacking energy: -71.785
Base-Backbone interact. energy: -0.114
local terms energy: -78.370090
where:
bonds (distance) C4'-P energy: -18.351
bonds (distance) P-C4' energy: -16.148
flat angles C4'-P-C4' energy: -20.736
flat angles P-C4'-P energy: -7.913
tors. eta vs tors. theta energy: -15.223
Dist. restrs. and SS energy: -36.000 (S_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: 361
Temperature: 1.350000
Total energy: -248.662070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.662070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.662070 (E_RNA)
where:
Base-Base interactions energy: -127.579
where: short stacking energy: -62.316
Base-Backbone interact. energy: -0.347
local terms energy: -84.736142
where:
bonds (distance) C4'-P energy: -19.333
bonds (distance) P-C4' energy: -16.701
flat angles C4'-P-C4' energy: -18.996
flat angles P-C4'-P energy: -12.499
tors. eta vs tors. theta energy: -17.207
Dist. restrs. and SS energy: -36.000 (S_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: 362
Temperature: 0.900000
Total energy: -412.887506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.887506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.487506 (E_RNA)
where:
Base-Base interactions energy: -248.810
where: short stacking energy: -108.117
Base-Backbone interact. energy: -0.403
local terms energy: -113.274173
where:
bonds (distance) C4'-P energy: -21.274
bonds (distance) P-C4' energy: -23.898
flat angles C4'-P-C4' energy: -24.785
flat angles P-C4'-P energy: -16.310
tors. eta vs tors. theta energy: -27.007
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -407.198885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.198885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.598885 (E_RNA)
where:
Base-Base interactions energy: -249.019
where: short stacking energy: -102.777
Base-Backbone interact. energy: -0.627
local terms energy: -108.953225
where:
bonds (distance) C4'-P energy: -19.751
bonds (distance) P-C4' energy: -20.210
flat angles C4'-P-C4' energy: -26.269
flat angles P-C4'-P energy: -16.517
tors. eta vs tors. theta energy: -26.206
Dist. restrs. and SS energy: -48.600 (S_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: 362
Temperature: 1.000000
Total energy: -405.123141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.123141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.723141 (E_RNA)
where:
Base-Base interactions energy: -253.549
where: short stacking energy: -103.752
Base-Backbone interact. energy: -1.436
local terms energy: -99.738957
where:
bonds (distance) C4'-P energy: -21.961
bonds (distance) P-C4' energy: -22.616
flat angles C4'-P-C4' energy: -14.430
flat angles P-C4'-P energy: -15.542
tors. eta vs tors. theta energy: -25.191
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -385.986235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.986235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.586235 (E_RNA)
where:
Base-Base interactions energy: -234.608
where: short stacking energy: -94.687
Base-Backbone interact. energy: -0.255
local terms energy: -100.723160
where:
bonds (distance) C4'-P energy: -18.682
bonds (distance) P-C4' energy: -18.041
flat angles C4'-P-C4' energy: -21.666
flat angles P-C4'-P energy: -13.532
tors. eta vs tors. theta energy: -28.802
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -374.263583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.263583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.863583 (E_RNA)
where:
Base-Base interactions energy: -225.203
where: short stacking energy: -81.664
Base-Backbone interact. energy: -1.447
local terms energy: -97.213167
where:
bonds (distance) C4'-P energy: -20.438
bonds (distance) P-C4' energy: -22.734
flat angles C4'-P-C4' energy: -16.199
flat angles P-C4'-P energy: -14.500
tors. eta vs tors. theta energy: -23.343
Dist. restrs. and SS energy: -50.400 (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: 4
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -291.393595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.393595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.393595 (E_RNA)
where:
Base-Base interactions energy: -158.397
where: short stacking energy: -73.391
Base-Backbone interact. energy: -1.259
local terms energy: -95.737529
where:
bonds (distance) C4'-P energy: -19.338
bonds (distance) P-C4' energy: -21.655
flat angles C4'-P-C4' energy: -25.132
flat angles P-C4'-P energy: -18.968
tors. eta vs tors. theta energy: -10.645
Dist. restrs. and SS energy: -36.000 (S_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: 362
Temperature: 1.200000
Total energy: -275.775427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.775427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.775427 (E_RNA)
where:
Base-Base interactions energy: -150.169
where: short stacking energy: -79.793
Base-Backbone interact. energy: -0.491
local terms energy: -89.114716
where:
bonds (distance) C4'-P energy: -19.101
bonds (distance) P-C4' energy: -23.730
flat angles C4'-P-C4' energy: -18.698
flat angles P-C4'-P energy: -11.281
tors. eta vs tors. theta energy: -16.304
Dist. restrs. and SS energy: -36.000 (S_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: 362
Temperature: 1.250000
Total energy: -270.739551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.739551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.739551 (E_RNA)
where:
Base-Base interactions energy: -149.093
where: short stacking energy: -58.822
Base-Backbone interact. energy: -0.635
local terms energy: -85.010997
where:
bonds (distance) C4'-P energy: -17.656
bonds (distance) P-C4' energy: -18.735
flat angles C4'-P-C4' energy: -18.934
flat angles P-C4'-P energy: -18.297
tors. eta vs tors. theta energy: -11.388
Dist. restrs. and SS energy: -36.000 (S_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: 362
Temperature: 1.300000
Total energy: -268.204919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.204919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.204919 (E_RNA)
where:
Base-Base interactions energy: -144.669
where: short stacking energy: -56.806
Base-Backbone interact. energy: -0.675
local terms energy: -86.860691
where:
bonds (distance) C4'-P energy: -20.104
bonds (distance) P-C4' energy: -20.684
flat angles C4'-P-C4' energy: -22.263
flat angles P-C4'-P energy: -13.780
tors. eta vs tors. theta energy: -10.030
Dist. restrs. and SS energy: -36.000 (S_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: 362
Temperature: 1.350000
Total energy: -257.485384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.485384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.485384 (E_RNA)
where:
Base-Base interactions energy: -137.650
where: short stacking energy: -54.677
Base-Backbone interact. energy: -0.118
local terms energy: -83.717463
where:
bonds (distance) C4'-P energy: -21.567
bonds (distance) P-C4' energy: -17.809
flat angles C4'-P-C4' energy: -15.644
flat angles P-C4'-P energy: -17.924
tors. eta vs tors. theta energy: -10.773
Dist. restrs. and SS energy: -36.000 (S_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: 363
Temperature: 0.900000
Total energy: -411.009046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.009046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.609046 (E_RNA)
where:
Base-Base interactions energy: -243.442
where: short stacking energy: -97.077
Base-Backbone interact. energy: -0.257
local terms energy: -116.909829
where:
bonds (distance) C4'-P energy: -26.067
bonds (distance) P-C4' energy: -20.320
flat angles C4'-P-C4' energy: -25.719
flat angles P-C4'-P energy: -16.748
tors. eta vs tors. theta energy: -28.056
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -398.796159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.796159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.396159 (E_RNA)
where:
Base-Base interactions energy: -240.604
where: short stacking energy: -95.190
Base-Backbone interact. energy: -0.809
local terms energy: -106.982368
where:
bonds (distance) C4'-P energy: -21.981
bonds (distance) P-C4' energy: -22.621
flat angles C4'-P-C4' energy: -23.333
flat angles P-C4'-P energy: -13.816
tors. eta vs tors. theta energy: -25.231
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -406.262626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.262626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.462626 (E_RNA)
where:
Base-Base interactions energy: -250.149
where: short stacking energy: -93.001
Base-Backbone interact. energy: -0.139
local terms energy: -109.174034
where:
bonds (distance) C4'-P energy: -20.839
bonds (distance) P-C4' energy: -21.352
flat angles C4'-P-C4' energy: -26.001
flat angles P-C4'-P energy: -12.420
tors. eta vs tors. theta energy: -28.562
Dist. restrs. and SS energy: -46.800 (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: 5
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -388.503004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.503004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.103004 (E_RNA)
where:
Base-Base interactions energy: -227.115
where: short stacking energy: -95.993
Base-Backbone interact. energy: -0.139
local terms energy: -110.848555
where:
bonds (distance) C4'-P energy: -25.505
bonds (distance) P-C4' energy: -21.174
flat angles C4'-P-C4' energy: -19.553
flat angles P-C4'-P energy: -16.482
tors. eta vs tors. theta energy: -28.134
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -382.152172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.152172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.752172 (E_RNA)
where:
Base-Base interactions energy: -228.634
where: short stacking energy: -88.587
Base-Backbone interact. energy: -1.262
local terms energy: -101.856307
where:
bonds (distance) C4'-P energy: -19.127
bonds (distance) P-C4' energy: -21.921
flat angles C4'-P-C4' energy: -22.177
flat angles P-C4'-P energy: -13.011
tors. eta vs tors. theta energy: -25.620
Dist. restrs. and SS energy: -50.400 (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: 4
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -300.467488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.467488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.467488 (E_RNA)
where:
Base-Base interactions energy: -165.837
where: short stacking energy: -75.762
Base-Backbone interact. energy: -0.107
local terms energy: -98.522619
where:
bonds (distance) C4'-P energy: -23.688
bonds (distance) P-C4' energy: -18.962
flat angles C4'-P-C4' energy: -22.026
flat angles P-C4'-P energy: -16.200
tors. eta vs tors. theta energy: -17.647
Dist. restrs. and SS energy: -36.000 (S_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: 363
Temperature: 1.200000
Total energy: -267.398658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.398658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.398658 (E_RNA)
where:
Base-Base interactions energy: -149.630
where: short stacking energy: -64.601
Base-Backbone interact. energy: -0.368
local terms energy: -81.400899
where:
bonds (distance) C4'-P energy: -16.455
bonds (distance) P-C4' energy: -16.779
flat angles C4'-P-C4' energy: -22.726
flat angles P-C4'-P energy: -15.880
tors. eta vs tors. theta energy: -9.560
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -275.854829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.854829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.854829 (E_RNA)
where:
Base-Base interactions energy: -152.944
where: short stacking energy: -72.723
Base-Backbone interact. energy: 0.339
local terms energy: -87.250018
where:
bonds (distance) C4'-P energy: -20.525
bonds (distance) P-C4' energy: -19.428
flat angles C4'-P-C4' energy: -21.164
flat angles P-C4'-P energy: -13.554
tors. eta vs tors. theta energy: -12.579
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -276.866083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.866083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.866083 (E_RNA)
where:
Base-Base interactions energy: -156.414
where: short stacking energy: -67.563
Base-Backbone interact. energy: -0.255
local terms energy: -84.196693
where:
bonds (distance) C4'-P energy: -13.520
bonds (distance) P-C4' energy: -22.123
flat angles C4'-P-C4' energy: -19.518
flat angles P-C4'-P energy: -10.256
tors. eta vs tors. theta energy: -18.779
Dist. restrs. and SS energy: -36.000 (S_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: 363
Temperature: 1.350000
Total energy: -269.920354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.920354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.920354 (E_RNA)
where:
Base-Base interactions energy: -141.569
where: short stacking energy: -65.654
Base-Backbone interact. energy: -0.245
local terms energy: -92.106514
where:
bonds (distance) C4'-P energy: -19.217
bonds (distance) P-C4' energy: -23.649
flat angles C4'-P-C4' energy: -21.625
flat angles P-C4'-P energy: -16.751
tors. eta vs tors. theta energy: -10.865
Dist. restrs. and SS energy: -36.000 (S_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: 364
Temperature: 0.900000
Total energy: -427.287202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.287202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.887202 (E_RNA)
where:
Base-Base interactions energy: -259.105
where: short stacking energy: -101.452
Base-Backbone interact. energy: 0.520
local terms energy: -118.302276
where:
bonds (distance) C4'-P energy: -26.068
bonds (distance) P-C4' energy: -25.275
flat angles C4'-P-C4' energy: -25.534
flat angles P-C4'-P energy: -15.138
tors. eta vs tors. theta energy: -26.287
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -409.976630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.976630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.576630 (E_RNA)
where:
Base-Base interactions energy: -252.430
where: short stacking energy: -96.466
Base-Backbone interact. energy: -0.056
local terms energy: -107.090370
where:
bonds (distance) C4'-P energy: -19.284
bonds (distance) P-C4' energy: -20.120
flat angles C4'-P-C4' energy: -22.984
flat angles P-C4'-P energy: -15.121
tors. eta vs tors. theta energy: -29.582
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -403.226264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.226264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.826264 (E_RNA)
where:
Base-Base interactions energy: -246.361
where: short stacking energy: -100.040
Base-Backbone interact. energy: 0.086
local terms energy: -106.551067
where:
bonds (distance) C4'-P energy: -23.431
bonds (distance) P-C4' energy: -19.122
flat angles C4'-P-C4' energy: -21.855
flat angles P-C4'-P energy: -13.271
tors. eta vs tors. theta energy: -28.873
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -394.091305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.091305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.691305 (E_RNA)
where:
Base-Base interactions energy: -236.970
where: short stacking energy: -86.181
Base-Backbone interact. energy: -0.556
local terms energy: -106.164917
where:
bonds (distance) C4'-P energy: -23.424
bonds (distance) P-C4' energy: -21.584
flat angles C4'-P-C4' energy: -25.247
flat angles P-C4'-P energy: -14.493
tors. eta vs tors. theta energy: -21.417
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -378.556014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.556014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.756014 (E_RNA)
where:
Base-Base interactions energy: -233.626
where: short stacking energy: -82.868
Base-Backbone interact. energy: 0.469
local terms energy: -98.598886
where:
bonds (distance) C4'-P energy: -20.575
bonds (distance) P-C4' energy: -21.794
flat angles C4'-P-C4' energy: -13.829
flat angles P-C4'-P energy: -19.040
tors. eta vs tors. theta energy: -23.362
Dist. restrs. and SS energy: -46.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -310.772825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.772825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.772825 (E_RNA)
where:
Base-Base interactions energy: -169.820
where: short stacking energy: -78.149
Base-Backbone interact. energy: -0.284
local terms energy: -104.669097
where:
bonds (distance) C4'-P energy: -20.922
bonds (distance) P-C4' energy: -23.747
flat angles C4'-P-C4' energy: -21.194
flat angles P-C4'-P energy: -17.382
tors. eta vs tors. theta energy: -21.424
Dist. restrs. and SS energy: -36.000 (S_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: 364
Temperature: 1.200000
Total energy: -289.844127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.844127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.844127 (E_RNA)
where:
Base-Base interactions energy: -166.550
where: short stacking energy: -82.932
Base-Backbone interact. energy: -0.317
local terms energy: -86.976786
where:
bonds (distance) C4'-P energy: -14.577
bonds (distance) P-C4' energy: -17.153
flat angles C4'-P-C4' energy: -23.733
flat angles P-C4'-P energy: -11.414
tors. eta vs tors. theta energy: -20.099
Dist. restrs. and SS energy: -36.000 (S_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: 364
Temperature: 1.250000
Total energy: -280.172495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.172495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.172495 (E_RNA)
where:
Base-Base interactions energy: -154.852
where: short stacking energy: -69.648
Base-Backbone interact. energy: -0.437
local terms energy: -88.882985
where:
bonds (distance) C4'-P energy: -11.695
bonds (distance) P-C4' energy: -26.590
flat angles C4'-P-C4' energy: -19.401
flat angles P-C4'-P energy: -20.527
tors. eta vs tors. theta energy: -10.670
Dist. restrs. and SS energy: -36.000 (S_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: 364
Temperature: 1.300000
Total energy: -257.317752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.317752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.317752 (E_RNA)
where:
Base-Base interactions energy: -140.438
where: short stacking energy: -74.177
Base-Backbone interact. energy: -0.468
local terms energy: -80.411106
where:
bonds (distance) C4'-P energy: -14.247
bonds (distance) P-C4' energy: -23.448
flat angles C4'-P-C4' energy: -19.242
flat angles P-C4'-P energy: -11.382
tors. eta vs tors. theta energy: -12.091
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -255.341498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.341498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.341498 (E_RNA)
where:
Base-Base interactions energy: -144.763
where: short stacking energy: -65.010
Base-Backbone interact. energy: 1.360
local terms energy: -75.938098
where:
bonds (distance) C4'-P energy: -21.503
bonds (distance) P-C4' energy: -22.815
flat angles C4'-P-C4' energy: -10.915
flat angles P-C4'-P energy: -6.814
tors. eta vs tors. theta energy: -13.891
Dist. restrs. and SS energy: -36.000 (S_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: 365
Temperature: 0.900000
Total energy: -421.948373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.948373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.548373 (E_RNA)
where:
Base-Base interactions energy: -249.697
where: short stacking energy: -104.731
Base-Backbone interact. energy: -0.476
local terms energy: -121.375313
where:
bonds (distance) C4'-P energy: -22.212
bonds (distance) P-C4' energy: -23.057
flat angles C4'-P-C4' energy: -27.310
flat angles P-C4'-P energy: -16.581
tors. eta vs tors. theta energy: -32.216
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -409.794137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.794137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.394137 (E_RNA)
where:
Base-Base interactions energy: -247.635
where: short stacking energy: -93.779
Base-Backbone interact. energy: -0.973
local terms energy: -110.785563
where:
bonds (distance) C4'-P energy: -20.522
bonds (distance) P-C4' energy: -23.754
flat angles C4'-P-C4' energy: -24.223
flat angles P-C4'-P energy: -13.944
tors. eta vs tors. theta energy: -28.343
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -397.241933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.241933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.841933 (E_RNA)
where:
Base-Base interactions energy: -241.379
where: short stacking energy: -91.488
Base-Backbone interact. energy: -0.156
local terms energy: -105.306540
where:
bonds (distance) C4'-P energy: -20.802
bonds (distance) P-C4' energy: -18.790
flat angles C4'-P-C4' energy: -23.189
flat angles P-C4'-P energy: -15.776
tors. eta vs tors. theta energy: -26.750
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -380.081964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.081964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.681964 (E_RNA)
where:
Base-Base interactions energy: -242.249
where: short stacking energy: -88.026
Base-Backbone interact. energy: 0.475
local terms energy: -87.907907
where:
bonds (distance) C4'-P energy: -20.793
bonds (distance) P-C4' energy: -16.632
flat angles C4'-P-C4' energy: -16.529
flat angles P-C4'-P energy: -9.198
tors. eta vs tors. theta energy: -24.757
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -389.288655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.288655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.888655 (E_RNA)
where:
Base-Base interactions energy: -240.258
where: short stacking energy: -85.444
Base-Backbone interact. energy: -1.412
local terms energy: -97.218246
where:
bonds (distance) C4'-P energy: -15.871
bonds (distance) P-C4' energy: -24.997
flat angles C4'-P-C4' energy: -19.935
flat angles P-C4'-P energy: -12.039
tors. eta vs tors. theta energy: -24.376
Dist. restrs. and SS energy: -50.400 (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: 6
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -283.393497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.393497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.993497 (E_RNA)
where:
Base-Base interactions energy: -162.228
where: short stacking energy: -64.896
Base-Backbone interact. energy: -0.391
local terms energy: -88.374176
where:
bonds (distance) C4'-P energy: -17.970
bonds (distance) P-C4' energy: -22.157
flat angles C4'-P-C4' energy: -23.710
flat angles P-C4'-P energy: -12.677
tors. eta vs tors. theta energy: -11.859
Dist. restrs. and SS energy: -32.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -274.825975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.825975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.825975 (E_RNA)
where:
Base-Base interactions energy: -155.510
where: short stacking energy: -64.615
Base-Backbone interact. energy: -0.095
local terms energy: -83.220476
where:
bonds (distance) C4'-P energy: -14.785
bonds (distance) P-C4' energy: -20.397
flat angles C4'-P-C4' energy: -21.157
flat angles P-C4'-P energy: -17.624
tors. eta vs tors. theta energy: -9.258
Dist. restrs. and SS energy: -36.000 (S_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: 365
Temperature: 1.250000
Total energy: -269.200084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.200084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.000084 (E_RNA)
where:
Base-Base interactions energy: -146.139
where: short stacking energy: -70.440
Base-Backbone interact. energy: -0.489
local terms energy: -88.372598
where:
bonds (distance) C4'-P energy: -20.297
bonds (distance) P-C4' energy: -20.220
flat angles C4'-P-C4' energy: -19.287
flat angles P-C4'-P energy: -13.085
tors. eta vs tors. theta energy: -15.484
Dist. restrs. and SS energy: -34.200 (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: 2
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -270.308455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.308455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.308455 (E_RNA)
where:
Base-Base interactions energy: -152.467
where: short stacking energy: -53.612
Base-Backbone interact. energy: -0.459
local terms energy: -81.382564
where:
bonds (distance) C4'-P energy: -19.449
bonds (distance) P-C4' energy: -16.159
flat angles C4'-P-C4' energy: -18.103
flat angles P-C4'-P energy: -15.064
tors. eta vs tors. theta energy: -12.609
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -250.392242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.392242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.192242 (E_RNA)
where:
Base-Base interactions energy: -146.432
where: short stacking energy: -66.026
Base-Backbone interact. energy: 0.786
local terms energy: -70.546879
where:
bonds (distance) C4'-P energy: -16.512
bonds (distance) P-C4' energy: -19.067
flat angles C4'-P-C4' energy: -10.016
flat angles P-C4'-P energy: -12.713
tors. eta vs tors. theta energy: -12.238
Dist. restrs. and SS energy: -34.200 (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: 5
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -416.903593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.903593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.503593 (E_RNA)
where:
Base-Base interactions energy: -249.441
where: short stacking energy: -109.565
Base-Backbone interact. energy: -0.555
local terms energy: -116.506929
where:
bonds (distance) C4'-P energy: -21.991
bonds (distance) P-C4' energy: -24.095
flat angles C4'-P-C4' energy: -26.096
flat angles P-C4'-P energy: -17.656
tors. eta vs tors. theta energy: -26.669
Dist. restrs. and SS energy: -50.400 (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: 8
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -409.227606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.227606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.627606 (E_RNA)
where:
Base-Base interactions energy: -249.544
where: short stacking energy: -97.488
Base-Backbone interact. energy: -0.853
local terms energy: -110.231276
where:
bonds (distance) C4'-P energy: -25.070
bonds (distance) P-C4' energy: -20.694
flat angles C4'-P-C4' energy: -22.082
flat angles P-C4'-P energy: -15.133
tors. eta vs tors. theta energy: -27.253
Dist. restrs. and SS energy: -48.600 (S_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: 366
Temperature: 1.000000
Total energy: -394.491705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.491705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.091705 (E_RNA)
where:
Base-Base interactions energy: -238.934
where: short stacking energy: -95.661
Base-Backbone interact. energy: -0.574
local terms energy: -104.583566
where:
bonds (distance) C4'-P energy: -23.291
bonds (distance) P-C4' energy: -17.683
flat angles C4'-P-C4' energy: -20.067
flat angles P-C4'-P energy: -15.905
tors. eta vs tors. theta energy: -27.637
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -383.741142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.741142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.341142 (E_RNA)
where:
Base-Base interactions energy: -236.917
where: short stacking energy: -87.232
Base-Backbone interact. energy: -0.444
local terms energy: -95.980505
where:
bonds (distance) C4'-P energy: -21.583
bonds (distance) P-C4' energy: -21.791
flat angles C4'-P-C4' energy: -18.720
flat angles P-C4'-P energy: -13.236
tors. eta vs tors. theta energy: -20.651
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -396.566857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.566857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.166857 (E_RNA)
where:
Base-Base interactions energy: -241.396
where: short stacking energy: -99.958
Base-Backbone interact. energy: -0.129
local terms energy: -104.641539
where:
bonds (distance) C4'-P energy: -18.980
bonds (distance) P-C4' energy: -17.984
flat angles C4'-P-C4' energy: -22.448
flat angles P-C4'-P energy: -14.434
tors. eta vs tors. theta energy: -30.796
Dist. restrs. and SS energy: -50.400 (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: 6
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -305.140301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.140301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.140301 (E_RNA)
where:
Base-Base interactions energy: -175.047
where: short stacking energy: -72.243
Base-Backbone interact. energy: -0.923
local terms energy: -93.170464
where:
bonds (distance) C4'-P energy: -18.282
bonds (distance) P-C4' energy: -20.094
flat angles C4'-P-C4' energy: -25.079
flat angles P-C4'-P energy: -13.349
tors. eta vs tors. theta energy: -16.367
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -294.600378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.600378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.600378 (E_RNA)
where:
Base-Base interactions energy: -167.461
where: short stacking energy: -79.090
Base-Backbone interact. energy: 0.267
local terms energy: -91.406012
where:
bonds (distance) C4'-P energy: -10.875
bonds (distance) P-C4' energy: -22.431
flat angles C4'-P-C4' energy: -21.511
flat angles P-C4'-P energy: -16.221
tors. eta vs tors. theta energy: -20.370
Dist. restrs. and SS energy: -36.000 (S_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: 366
Temperature: 1.250000
Total energy: -282.786025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.786025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.786025 (E_RNA)
where:
Base-Base interactions energy: -161.476
where: short stacking energy: -75.508
Base-Backbone interact. energy: -0.402
local terms energy: -84.908526
where:
bonds (distance) C4'-P energy: -17.428
bonds (distance) P-C4' energy: -19.825
flat angles C4'-P-C4' energy: -22.650
flat angles P-C4'-P energy: -9.899
tors. eta vs tors. theta energy: -15.107
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -252.657631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.657631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.457631 (E_RNA)
where:
Base-Base interactions energy: -138.348
where: short stacking energy: -61.793
Base-Backbone interact. energy: -0.261
local terms energy: -79.848840
where:
bonds (distance) C4'-P energy: -19.876
bonds (distance) P-C4' energy: -21.444
flat angles C4'-P-C4' energy: -18.969
flat angles P-C4'-P energy: -9.429
tors. eta vs tors. theta energy: -10.131
Dist. restrs. and SS energy: -34.200 (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: 2
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -258.558636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.558636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.558636 (E_RNA)
where:
Base-Base interactions energy: -150.145
where: short stacking energy: -65.441
Base-Backbone interact. energy: 1.857
local terms energy: -74.270656
where:
bonds (distance) C4'-P energy: -20.577
bonds (distance) P-C4' energy: -16.397
flat angles C4'-P-C4' energy: -15.167
flat angles P-C4'-P energy: -10.244
tors. eta vs tors. theta energy: -11.885
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -421.557499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.557499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.157499 (E_RNA)
where:
Base-Base interactions energy: -252.890
where: short stacking energy: -95.649
Base-Backbone interact. energy: -1.019
local terms energy: -117.249002
where:
bonds (distance) C4'-P energy: -25.392
bonds (distance) P-C4' energy: -22.706
flat angles C4'-P-C4' energy: -21.964
flat angles P-C4'-P energy: -16.330
tors. eta vs tors. theta energy: -30.856
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -404.527512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.527512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.127512 (E_RNA)
where:
Base-Base interactions energy: -244.034
where: short stacking energy: -105.569
Base-Backbone interact. energy: -0.670
local terms energy: -109.423702
where:
bonds (distance) C4'-P energy: -21.864
bonds (distance) P-C4' energy: -20.860
flat angles C4'-P-C4' energy: -22.362
flat angles P-C4'-P energy: -18.069
tors. eta vs tors. theta energy: -26.270
Dist. restrs. and SS energy: -50.400 (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: 367
Temperature: 1.000000
Total energy: -402.242499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.242499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.642499 (E_RNA)
where:
Base-Base interactions energy: -236.174
where: short stacking energy: -96.099
Base-Backbone interact. energy: -1.505
local terms energy: -115.963977
where:
bonds (distance) C4'-P energy: -22.587
bonds (distance) P-C4' energy: -24.862
flat angles C4'-P-C4' energy: -24.179
flat angles P-C4'-P energy: -16.759
tors. eta vs tors. theta energy: -27.576
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. 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: -381.432890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.432890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.832890 (E_RNA)
where:
Base-Base interactions energy: -231.240
where: short stacking energy: -81.429
Base-Backbone interact. energy: -0.628
local terms energy: -100.965333
where:
bonds (distance) C4'-P energy: -19.792
bonds (distance) P-C4' energy: -14.950
flat angles C4'-P-C4' energy: -26.958
flat angles P-C4'-P energy: -14.379
tors. eta vs tors. theta energy: -24.886
Dist. restrs. and SS energy: -48.600 (S_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: 367
Temperature: 1.100000
Total energy: -376.821049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.821049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.421049 (E_RNA)
where:
Base-Base interactions energy: -224.185
where: short stacking energy: -71.377
Base-Backbone interact. energy: -0.885
local terms energy: -101.351386
where:
bonds (distance) C4'-P energy: -19.620
bonds (distance) P-C4' energy: -24.842
flat angles C4'-P-C4' energy: -19.151
flat angles P-C4'-P energy: -16.168
tors. eta vs tors. theta energy: -21.570
Dist. restrs. and SS energy: -50.400 (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: 4
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -295.016620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.016620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.016620 (E_RNA)
where:
Base-Base interactions energy: -154.711
where: short stacking energy: -71.438
Base-Backbone interact. energy: -0.241
local terms energy: -104.065022
where:
bonds (distance) C4'-P energy: -13.717
bonds (distance) P-C4' energy: -27.302
flat angles C4'-P-C4' energy: -22.830
flat angles P-C4'-P energy: -20.800
tors. eta vs tors. theta energy: -19.416
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -279.365765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.365765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.165765 (E_RNA)
where:
Base-Base interactions energy: -157.760
where: short stacking energy: -55.315
Base-Backbone interact. energy: -1.269
local terms energy: -86.136372
where:
bonds (distance) C4'-P energy: -13.938
bonds (distance) P-C4' energy: -21.780
flat angles C4'-P-C4' energy: -21.531
flat angles P-C4'-P energy: -14.990
tors. eta vs tors. theta energy: -13.897
Dist. restrs. and SS energy: -34.200 (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: 3
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -283.243486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.243486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.843486 (E_RNA)
where:
Base-Base interactions energy: -156.947
where: short stacking energy: -59.210
Base-Backbone interact. energy: -0.458
local terms energy: -93.438024
where:
bonds (distance) C4'-P energy: -23.054
bonds (distance) P-C4' energy: -19.523
flat angles C4'-P-C4' energy: -15.227
flat angles P-C4'-P energy: -18.960
tors. eta vs tors. theta energy: -16.675
Dist. restrs. and SS energy: -32.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -280.898710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.898710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.898710 (E_RNA)
where:
Base-Base interactions energy: -154.256
where: short stacking energy: -66.706
Base-Backbone interact. energy: -0.112
local terms energy: -90.529933
where:
bonds (distance) C4'-P energy: -20.702
bonds (distance) P-C4' energy: -15.675
flat angles C4'-P-C4' energy: -18.008
flat angles P-C4'-P energy: -17.909
tors. eta vs tors. theta energy: -18.237
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -249.035394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.035394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.035394 (E_RNA)
where:
Base-Base interactions energy: -142.963
where: short stacking energy: -56.605
Base-Backbone interact. energy: 0.259
local terms energy: -70.331634
where:
bonds (distance) C4'-P energy: -14.142
bonds (distance) P-C4' energy: -17.012
flat angles C4'-P-C4' energy: -14.366
flat angles P-C4'-P energy: -18.004
tors. eta vs tors. theta energy: -6.807
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -414.155992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.155992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.755992 (E_RNA)
where:
Base-Base interactions energy: -250.391
where: short stacking energy: -95.409
Base-Backbone interact. energy: -1.098
local terms energy: -112.266729
where:
bonds (distance) C4'-P energy: -20.343
bonds (distance) P-C4' energy: -25.839
flat angles C4'-P-C4' energy: -22.436
flat angles P-C4'-P energy: -15.760
tors. eta vs tors. theta energy: -27.890
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -409.129937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.129937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.729937 (E_RNA)
where:
Base-Base interactions energy: -254.530
where: short stacking energy: -106.008
Base-Backbone interact. energy: 1.829
local terms energy: -106.028402
where:
bonds (distance) C4'-P energy: -22.814
bonds (distance) P-C4' energy: -12.000
flat angles C4'-P-C4' energy: -26.963
flat angles P-C4'-P energy: -16.714
tors. eta vs tors. theta energy: -27.538
Dist. restrs. and SS energy: -50.400 (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: 368
Temperature: 1.000000
Total energy: -394.926467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.926467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.326467 (E_RNA)
where:
Base-Base interactions energy: -243.636
where: short stacking energy: -89.744
Base-Backbone interact. energy: -0.500
local terms energy: -102.190123
where:
bonds (distance) C4'-P energy: -21.729
bonds (distance) P-C4' energy: -17.104
flat angles C4'-P-C4' energy: -23.818
flat angles P-C4'-P energy: -15.123
tors. eta vs tors. theta energy: -24.415
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. 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: -383.513746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.513746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.113746 (E_RNA)
where:
Base-Base interactions energy: -224.595
where: short stacking energy: -85.797
Base-Backbone interact. energy: -1.063
local terms energy: -107.455989
where:
bonds (distance) C4'-P energy: -24.468
bonds (distance) P-C4' energy: -23.274
flat angles C4'-P-C4' energy: -18.641
flat angles P-C4'-P energy: -17.256
tors. eta vs tors. theta energy: -23.816
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -384.127591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.127591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.727591 (E_RNA)
where:
Base-Base interactions energy: -228.097
where: short stacking energy: -81.605
Base-Backbone interact. energy: -1.101
local terms energy: -104.529004
where:
bonds (distance) C4'-P energy: -23.093
bonds (distance) P-C4' energy: -23.188
flat angles C4'-P-C4' energy: -16.864
flat angles P-C4'-P energy: -16.982
tors. eta vs tors. theta energy: -24.402
Dist. restrs. and SS energy: -50.400 (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: 4
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -304.643438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.643438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.643438 (E_RNA)
where:
Base-Base interactions energy: -167.289
where: short stacking energy: -76.910
Base-Backbone interact. energy: -0.630
local terms energy: -100.724667
where:
bonds (distance) C4'-P energy: -21.998
bonds (distance) P-C4' energy: -17.882
flat angles C4'-P-C4' energy: -24.729
flat angles P-C4'-P energy: -12.678
tors. eta vs tors. theta energy: -23.439
Dist. restrs. and SS energy: -36.000 (S_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: 368
Temperature: 1.200000
Total energy: -298.681379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.681379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.681379 (E_RNA)
where:
Base-Base interactions energy: -168.778
where: short stacking energy: -85.344
Base-Backbone interact. energy: 1.116
local terms energy: -95.019661
where:
bonds (distance) C4'-P energy: -17.701
bonds (distance) P-C4' energy: -14.948
flat angles C4'-P-C4' energy: -24.535
flat angles P-C4'-P energy: -14.224
tors. eta vs tors. theta energy: -23.612
Dist. restrs. and SS energy: -36.000 (S_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: 368
Temperature: 1.250000
Total energy: -269.402123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.402123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.402123 (E_RNA)
where:
Base-Base interactions energy: -144.051
where: short stacking energy: -63.041
Base-Backbone interact. energy: -0.015
local terms energy: -89.335845
where:
bonds (distance) C4'-P energy: -17.586
bonds (distance) P-C4' energy: -18.630
flat angles C4'-P-C4' energy: -22.841
flat angles P-C4'-P energy: -12.868
tors. eta vs tors. theta energy: -17.411
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -270.845054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.845054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.445054 (E_RNA)
where:
Base-Base interactions energy: -151.278
where: short stacking energy: -75.290
Base-Backbone interact. energy: -0.717
local terms energy: -86.449788
where:
bonds (distance) C4'-P energy: -18.344
bonds (distance) P-C4' energy: -21.886
flat angles C4'-P-C4' energy: -23.755
flat angles P-C4'-P energy: -7.983
tors. eta vs tors. theta energy: -14.482
Dist. restrs. and SS energy: -32.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -253.586369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.586369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.586369 (E_RNA)
where:
Base-Base interactions energy: -146.494
where: short stacking energy: -65.014
Base-Backbone interact. energy: -0.046
local terms energy: -71.046086
where:
bonds (distance) C4'-P energy: -15.767
bonds (distance) P-C4' energy: -19.159
flat angles C4'-P-C4' energy: -18.191
flat angles P-C4'-P energy: -7.857
tors. eta vs tors. theta energy: -10.073
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -419.960049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.960049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.560049 (E_RNA)
where:
Base-Base interactions energy: -251.112
where: short stacking energy: -97.455
Base-Backbone interact. energy: 1.016
local terms energy: -119.463669
where:
bonds (distance) C4'-P energy: -21.929
bonds (distance) P-C4' energy: -26.555
flat angles C4'-P-C4' energy: -24.704
flat angles P-C4'-P energy: -16.345
tors. eta vs tors. theta energy: -29.931
Dist. restrs. and SS energy: -50.400 (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: 8
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -411.324104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.324104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.924104 (E_RNA)
where:
Base-Base interactions energy: -256.739
where: short stacking energy: -96.782
Base-Backbone interact. energy: 0.515
local terms energy: -104.700042
where:
bonds (distance) C4'-P energy: -19.277
bonds (distance) P-C4' energy: -19.097
flat angles C4'-P-C4' energy: -21.433
flat angles P-C4'-P energy: -17.714
tors. eta vs tors. theta energy: -27.179
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -399.882757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.882757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.482757 (E_RNA)
where:
Base-Base interactions energy: -237.621
where: short stacking energy: -97.243
Base-Backbone interact. energy: -0.757
local terms energy: -111.105489
where:
bonds (distance) C4'-P energy: -23.220
bonds (distance) P-C4' energy: -21.298
flat angles C4'-P-C4' energy: -22.151
flat angles P-C4'-P energy: -14.735
tors. eta vs tors. theta energy: -29.702
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -402.775712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.775712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.375712 (E_RNA)
where:
Base-Base interactions energy: -246.206
where: short stacking energy: -81.840
Base-Backbone interact. energy: -1.655
local terms energy: -104.514112
where:
bonds (distance) C4'-P energy: -20.811
bonds (distance) P-C4' energy: -23.030
flat angles C4'-P-C4' energy: -20.395
flat angles P-C4'-P energy: -14.718
tors. eta vs tors. theta energy: -25.560
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -380.675203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.675203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.275203 (E_RNA)
where:
Base-Base interactions energy: -241.634
where: short stacking energy: -95.816
Base-Backbone interact. energy: 0.552
local terms energy: -89.193183
where:
bonds (distance) C4'-P energy: -20.065
bonds (distance) P-C4' energy: -13.293
flat angles C4'-P-C4' energy: -20.018
flat angles P-C4'-P energy: -9.983
tors. eta vs tors. theta energy: -25.835
Dist. restrs. and SS energy: -50.400 (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: 4
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -297.094014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.094014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.694014 (E_RNA)
where:
Base-Base interactions energy: -163.054
where: short stacking energy: -63.475
Base-Backbone interact. energy: -0.369
local terms energy: -101.270927
where:
bonds (distance) C4'-P energy: -21.042
bonds (distance) P-C4' energy: -20.690
flat angles C4'-P-C4' energy: -24.339
flat angles P-C4'-P energy: -18.514
tors. eta vs tors. theta energy: -16.686
Dist. restrs. and SS energy: -32.400 (S_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: 369
Temperature: 1.200000
Total energy: -289.771563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.771563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.571563 (E_RNA)
where:
Base-Base interactions energy: -164.626
where: short stacking energy: -67.105
Base-Backbone interact. energy: -1.225
local terms energy: -89.720108
where:
bonds (distance) C4'-P energy: -19.035
bonds (distance) P-C4' energy: -20.966
flat angles C4'-P-C4' energy: -21.609
flat angles P-C4'-P energy: -12.349
tors. eta vs tors. theta energy: -15.760
Dist. restrs. and SS energy: -34.200 (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: 2
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -264.561944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.561944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.361944 (E_RNA)
where:
Base-Base interactions energy: -138.767
where: short stacking energy: -63.524
Base-Backbone interact. energy: -0.185
local terms energy: -91.409803
where:
bonds (distance) C4'-P energy: -15.971
bonds (distance) P-C4' energy: -23.458
flat angles C4'-P-C4' energy: -23.214
flat angles P-C4'-P energy: -14.963
tors. eta vs tors. theta energy: -13.804
Dist. restrs. and SS energy: -34.200 (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: 3
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -279.947618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.947618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.947618 (E_RNA)
where:
Base-Base interactions energy: -159.401
where: short stacking energy: -74.366
Base-Backbone interact. energy: 1.005
local terms energy: -85.551171
where:
bonds (distance) C4'-P energy: -19.771
bonds (distance) P-C4' energy: -17.953
flat angles C4'-P-C4' energy: -23.357
flat angles P-C4'-P energy: -10.492
tors. eta vs tors. theta energy: -13.978
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -252.088630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.088630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.088630 (E_RNA)
where:
Base-Base interactions energy: -136.767
where: short stacking energy: -64.026
Base-Backbone interact. energy: -0.152
local terms energy: -79.169710
where:
bonds (distance) C4'-P energy: -20.002
bonds (distance) P-C4' energy: -21.520
flat angles C4'-P-C4' energy: -15.344
flat angles P-C4'-P energy: -13.142
tors. eta vs tors. theta energy: -9.163
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -415.493736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.493736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.893736 (E_RNA)
where:
Base-Base interactions energy: -242.792
where: short stacking energy: -110.803
Base-Backbone interact. energy: -0.552
local terms energy: -123.550622
where:
bonds (distance) C4'-P energy: -24.856
bonds (distance) P-C4' energy: -23.940
flat angles C4'-P-C4' energy: -25.799
flat angles P-C4'-P energy: -18.457
tors. eta vs tors. theta energy: -30.497
Dist. restrs. and SS energy: -48.600 (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: 8
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -416.757104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.757104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.357104 (E_RNA)
where:
Base-Base interactions energy: -252.834
where: short stacking energy: -100.908
Base-Backbone interact. energy: -1.299
local terms energy: -112.224798
where:
bonds (distance) C4'-P energy: -22.645
bonds (distance) P-C4' energy: -22.807
flat angles C4'-P-C4' energy: -19.052
flat angles P-C4'-P energy: -20.020
tors. eta vs tors. theta energy: -27.701
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -393.930519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.930519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.530519 (E_RNA)
where:
Base-Base interactions energy: -235.993
where: short stacking energy: -93.816
Base-Backbone interact. energy: -0.295
local terms energy: -107.242078
where:
bonds (distance) C4'-P energy: -19.912
bonds (distance) P-C4' energy: -22.654
flat angles C4'-P-C4' energy: -23.345
flat angles P-C4'-P energy: -15.749
tors. eta vs tors. theta energy: -25.582
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -393.913013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.913013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.513013 (E_RNA)
where:
Base-Base interactions energy: -232.500
where: short stacking energy: -87.000
Base-Backbone interact. energy: -0.756
local terms energy: -110.257243
where:
bonds (distance) C4'-P energy: -27.637
bonds (distance) P-C4' energy: -20.611
flat angles C4'-P-C4' energy: -25.809
flat angles P-C4'-P energy: -15.428
tors. eta vs tors. theta energy: -20.773
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -385.941215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.941215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.541215 (E_RNA)
where:
Base-Base interactions energy: -231.704
where: short stacking energy: -94.132
Base-Backbone interact. energy: -1.157
local terms energy: -102.679707
where:
bonds (distance) C4'-P energy: -22.773
bonds (distance) P-C4' energy: -20.536
flat angles C4'-P-C4' energy: -20.311
flat angles P-C4'-P energy: -16.751
tors. eta vs tors. theta energy: -22.308
Dist. restrs. and SS energy: -50.400 (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: 4
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -305.241508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.241508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.241508 (E_RNA)
where:
Base-Base interactions energy: -184.495
where: short stacking energy: -88.842
Base-Backbone interact. energy: -0.199
local terms energy: -84.547194
where:
bonds (distance) C4'-P energy: -19.341
bonds (distance) P-C4' energy: -11.337
flat angles C4'-P-C4' energy: -21.444
flat angles P-C4'-P energy: -14.874
tors. eta vs tors. theta energy: -17.552
Dist. restrs. and SS energy: -36.000 (S_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: 370
Temperature: 1.200000
Total energy: -279.401589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.401589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.401589 (E_RNA)
where:
Base-Base interactions energy: -150.653
where: short stacking energy: -73.226
Base-Backbone interact. energy: -0.329
local terms energy: -92.419785
where:
bonds (distance) C4'-P energy: -17.114
bonds (distance) P-C4' energy: -25.852
flat angles C4'-P-C4' energy: -22.156
flat angles P-C4'-P energy: -13.077
tors. eta vs tors. theta energy: -14.221
Dist. restrs. and SS energy: -36.000 (S_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: 370
Temperature: 1.250000
Total energy: -266.927344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.927344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.927344 (E_RNA)
where:
Base-Base interactions energy: -147.758
where: short stacking energy: -64.499
Base-Backbone interact. energy: -0.356
local terms energy: -82.813135
where:
bonds (distance) C4'-P energy: -18.068
bonds (distance) P-C4' energy: -20.918
flat angles C4'-P-C4' energy: -18.794
flat angles P-C4'-P energy: -9.747
tors. eta vs tors. theta energy: -15.287
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -257.851300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.851300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.851300 (E_RNA)
where:
Base-Base interactions energy: -135.587
where: short stacking energy: -67.612
Base-Backbone interact. energy: -0.398
local terms energy: -85.866628
where:
bonds (distance) C4'-P energy: -18.905
bonds (distance) P-C4' energy: -21.619
flat angles C4'-P-C4' energy: -19.563
flat angles P-C4'-P energy: -14.760
tors. eta vs tors. theta energy: -11.019
Dist. restrs. and SS energy: -36.000 (S_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: 370
Temperature: 1.350000
Total energy: -276.833955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.833955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.833955 (E_RNA)
where:
Base-Base interactions energy: -155.214
where: short stacking energy: -72.450
Base-Backbone interact. energy: -0.177
local terms energy: -85.442917
where:
bonds (distance) C4'-P energy: -20.828
bonds (distance) P-C4' energy: -18.853
flat angles C4'-P-C4' energy: -15.910
flat angles P-C4'-P energy: -9.060
tors. eta vs tors. theta energy: -20.793
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -415.370726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.370726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.970726 (E_RNA)
where:
Base-Base interactions energy: -254.490
where: short stacking energy: -108.056
Base-Backbone interact. energy: 1.106
local terms energy: -111.586814
where:
bonds (distance) C4'-P energy: -22.665
bonds (distance) P-C4' energy: -25.444
flat angles C4'-P-C4' energy: -22.525
flat angles P-C4'-P energy: -15.479
tors. eta vs tors. theta energy: -25.474
Dist. restrs. and SS energy: -50.400 (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: 8
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -417.503058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.503058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.103058 (E_RNA)
where:
Base-Base interactions energy: -255.134
where: short stacking energy: -100.797
Base-Backbone interact. energy: -1.285
local terms energy: -110.683524
where:
bonds (distance) C4'-P energy: -25.171
bonds (distance) P-C4' energy: -23.217
flat angles C4'-P-C4' energy: -20.117
flat angles P-C4'-P energy: -15.064
tors. eta vs tors. theta energy: -27.115
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -404.798462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.798462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.398462 (E_RNA)
where:
Base-Base interactions energy: -235.297
where: short stacking energy: -99.591
Base-Backbone interact. energy: -0.244
local terms energy: -118.856682
where:
bonds (distance) C4'-P energy: -21.136
bonds (distance) P-C4' energy: -24.400
flat angles C4'-P-C4' energy: -24.378
flat angles P-C4'-P energy: -17.930
tors. eta vs tors. theta energy: -31.012
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -385.378474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.378474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.978474 (E_RNA)
where:
Base-Base interactions energy: -231.183
where: short stacking energy: -88.248
Base-Backbone interact. energy: -0.819
local terms energy: -102.976658
where:
bonds (distance) C4'-P energy: -20.548
bonds (distance) P-C4' energy: -19.842
flat angles C4'-P-C4' energy: -22.611
flat angles P-C4'-P energy: -14.187
tors. eta vs tors. theta energy: -25.788
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -360.474037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.474037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.074037 (E_RNA)
where:
Base-Base interactions energy: -201.461
where: short stacking energy: -80.922
Base-Backbone interact. energy: -0.585
local terms energy: -108.028402
where:
bonds (distance) C4'-P energy: -22.429
bonds (distance) P-C4' energy: -22.742
flat angles C4'-P-C4' energy: -23.883
flat angles P-C4'-P energy: -14.257
tors. eta vs tors. theta energy: -24.718
Dist. restrs. and SS energy: -50.400 (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: 4
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -303.462199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.462199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.462199 (E_RNA)
where:
Base-Base interactions energy: -180.410
where: short stacking energy: -85.520
Base-Backbone interact. energy: -0.214
local terms energy: -86.837915
where:
bonds (distance) C4'-P energy: -19.912
bonds (distance) P-C4' energy: -22.678
flat angles C4'-P-C4' energy: -13.147
flat angles P-C4'-P energy: -10.175
tors. eta vs tors. theta energy: -20.925
Dist. restrs. and SS energy: -36.000 (S_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: 371
Temperature: 1.200000
Total energy: -297.843941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.843941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.843941 (E_RNA)
where:
Base-Base interactions energy: -168.263
where: short stacking energy: -85.930
Base-Backbone interact. energy: -0.221
local terms energy: -93.359992
where:
bonds (distance) C4'-P energy: -16.166
bonds (distance) P-C4' energy: -23.481
flat angles C4'-P-C4' energy: -23.077
flat angles P-C4'-P energy: -6.357
tors. eta vs tors. theta energy: -24.280
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -249.542516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.542516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.542516 (E_RNA)
where:
Base-Base interactions energy: -135.760
where: short stacking energy: -70.836
Base-Backbone interact. energy: -0.194
local terms energy: -77.588150
where:
bonds (distance) C4'-P energy: -13.988
bonds (distance) P-C4' energy: -21.714
flat angles C4'-P-C4' energy: -18.832
flat angles P-C4'-P energy: -11.239
tors. eta vs tors. theta energy: -11.816
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -281.057574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.057574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.057574 (E_RNA)
where:
Base-Base interactions energy: -154.193
where: short stacking energy: -69.753
Base-Backbone interact. energy: -0.422
local terms energy: -90.442417
where:
bonds (distance) C4'-P energy: -21.720
bonds (distance) P-C4' energy: -21.968
flat angles C4'-P-C4' energy: -25.492
flat angles P-C4'-P energy: -10.395
tors. eta vs tors. theta energy: -10.867
Dist. restrs. and SS energy: -36.000 (S_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: 371
Temperature: 1.350000
Total energy: -271.494791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.494791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.494791 (E_RNA)
where:
Base-Base interactions energy: -145.269
where: short stacking energy: -62.059
Base-Backbone interact. energy: -0.293
local terms energy: -89.933378
where:
bonds (distance) C4'-P energy: -18.766
bonds (distance) P-C4' energy: -24.639
flat angles C4'-P-C4' energy: -17.190
flat angles P-C4'-P energy: -15.737
tors. eta vs tors. theta energy: -13.602
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -416.391204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.391204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.991204 (E_RNA)
where:
Base-Base interactions energy: -255.097
where: short stacking energy: -104.523
Base-Backbone interact. energy: 0.214
local terms energy: -111.108422
where:
bonds (distance) C4'-P energy: -21.108
bonds (distance) P-C4' energy: -22.017
flat angles C4'-P-C4' energy: -21.607
flat angles P-C4'-P energy: -16.959
tors. eta vs tors. theta energy: -29.418
Dist. restrs. and SS energy: -50.400 (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: 8
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -412.325482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.325482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.925482 (E_RNA)
where:
Base-Base interactions energy: -249.732
where: short stacking energy: -94.660
Base-Backbone interact. energy: -0.061
local terms energy: -112.132224
where:
bonds (distance) C4'-P energy: -23.766
bonds (distance) P-C4' energy: -25.747
flat angles C4'-P-C4' energy: -20.811
flat angles P-C4'-P energy: -14.694
tors. eta vs tors. theta energy: -27.114
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -397.646842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.646842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.246842 (E_RNA)
where:
Base-Base interactions energy: -240.538
where: short stacking energy: -89.438
Base-Backbone interact. energy: 1.533
local terms energy: -108.241695
where:
bonds (distance) C4'-P energy: -22.636
bonds (distance) P-C4' energy: -20.425
flat angles C4'-P-C4' energy: -24.391
flat angles P-C4'-P energy: -17.745
tors. eta vs tors. theta energy: -23.045
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -392.049200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.049200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.249200 (E_RNA)
where:
Base-Base interactions energy: -230.928
where: short stacking energy: -89.534
Base-Backbone interact. energy: 0.736
local terms energy: -115.057178
where:
bonds (distance) C4'-P energy: -26.926
bonds (distance) P-C4' energy: -20.652
flat angles C4'-P-C4' energy: -23.603
flat angles P-C4'-P energy: -15.928
tors. eta vs tors. theta energy: -27.947
Dist. restrs. and SS energy: -46.800 (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: 10
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -368.004682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.004682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.204682 (E_RNA)
where:
Base-Base interactions energy: -220.772
where: short stacking energy: -79.365
Base-Backbone interact. energy: -0.934
local terms energy: -99.497851
where:
bonds (distance) C4'-P energy: -20.075
bonds (distance) P-C4' energy: -18.031
flat angles C4'-P-C4' energy: -21.039
flat angles P-C4'-P energy: -18.651
tors. eta vs tors. theta energy: -21.702
Dist. restrs. and SS energy: -46.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -310.865951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.865951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.865951 (E_RNA)
where:
Base-Base interactions energy: -187.183
where: short stacking energy: -71.284
Base-Backbone interact. energy: -0.414
local terms energy: -87.269806
where:
bonds (distance) C4'-P energy: -20.294
bonds (distance) P-C4' energy: -24.372
flat angles C4'-P-C4' energy: -22.727
flat angles P-C4'-P energy: -4.668
tors. eta vs tors. theta energy: -15.209
Dist. restrs. and SS energy: -36.000 (S_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: 372
Temperature: 1.200000
Total energy: -275.594633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.594633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.594633 (E_RNA)
where:
Base-Base interactions energy: -143.885
where: short stacking energy: -70.263
Base-Backbone interact. energy: -0.302
local terms energy: -95.408222
where:
bonds (distance) C4'-P energy: -20.741
bonds (distance) P-C4' energy: -20.321
flat angles C4'-P-C4' energy: -17.994
flat angles P-C4'-P energy: -18.907
tors. eta vs tors. theta energy: -17.445
Dist. restrs. and SS energy: -36.000 (S_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: 372
Temperature: 1.250000
Total energy: -282.828347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.828347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.828347 (E_RNA)
where:
Base-Base interactions energy: -153.708
where: short stacking energy: -69.801
Base-Backbone interact. energy: -0.166
local terms energy: -92.954149
where:
bonds (distance) C4'-P energy: -20.136
bonds (distance) P-C4' energy: -21.181
flat angles C4'-P-C4' energy: -21.304
flat angles P-C4'-P energy: -11.504
tors. eta vs tors. theta energy: -18.829
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -255.382489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.382489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.982489 (E_RNA)
where:
Base-Base interactions energy: -134.973
where: short stacking energy: -70.212
Base-Backbone interact. energy: -0.423
local terms energy: -87.586514
where:
bonds (distance) C4'-P energy: -15.421
bonds (distance) P-C4' energy: -16.753
flat angles C4'-P-C4' energy: -22.305
flat angles P-C4'-P energy: -16.197
tors. eta vs tors. theta energy: -16.909
Dist. restrs. and SS energy: -32.400 (S_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: 372
Temperature: 1.350000
Total energy: -249.450328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.450328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.450328 (E_RNA)
where:
Base-Base interactions energy: -132.719
where: short stacking energy: -50.625
Base-Backbone interact. energy: -0.116
local terms energy: -80.614697
where:
bonds (distance) C4'-P energy: -13.850
bonds (distance) P-C4' energy: -19.493
flat angles C4'-P-C4' energy: -22.261
flat angles P-C4'-P energy: -16.439
tors. eta vs tors. theta energy: -8.573
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -414.496706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.496706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.096706 (E_RNA)
where:
Base-Base interactions energy: -249.791
where: short stacking energy: -98.776
Base-Backbone interact. energy: 0.078
local terms energy: -114.384134
where:
bonds (distance) C4'-P energy: -22.851
bonds (distance) P-C4' energy: -23.953
flat angles C4'-P-C4' energy: -24.838
flat angles P-C4'-P energy: -15.023
tors. eta vs tors. theta energy: -27.719
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -408.826278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.826278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.426278 (E_RNA)
where:
Base-Base interactions energy: -249.505
where: short stacking energy: -99.161
Base-Backbone interact. energy: -0.989
local terms energy: -107.932843
where:
bonds (distance) C4'-P energy: -21.383
bonds (distance) P-C4' energy: -20.636
flat angles C4'-P-C4' energy: -20.481
flat angles P-C4'-P energy: -15.323
tors. eta vs tors. theta energy: -30.110
Dist. restrs. and SS energy: -50.400 (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: 373
Temperature: 1.000000
Total energy: -399.993043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.993043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.593043 (E_RNA)
where:
Base-Base interactions energy: -257.121
where: short stacking energy: -95.997
Base-Backbone interact. energy: -1.140
local terms energy: -91.331518
where:
bonds (distance) C4'-P energy: -24.525
bonds (distance) P-C4' energy: -14.424
flat angles C4'-P-C4' energy: -20.462
flat angles P-C4'-P energy: -5.925
tors. eta vs tors. theta energy: -25.995
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -367.370290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.370290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.970290 (E_RNA)
where:
Base-Base interactions energy: -213.019
where: short stacking energy: -75.689
Base-Backbone interact. energy: -1.200
local terms energy: -102.751748
where:
bonds (distance) C4'-P energy: -18.263
bonds (distance) P-C4' energy: -25.230
flat angles C4'-P-C4' energy: -20.208
flat angles P-C4'-P energy: -17.742
tors. eta vs tors. theta energy: -21.310
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -379.515842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.515842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.115842 (E_RNA)
where:
Base-Base interactions energy: -227.931
where: short stacking energy: -89.849
Base-Backbone interact. energy: -0.623
local terms energy: -100.561772
where:
bonds (distance) C4'-P energy: -17.986
bonds (distance) P-C4' energy: -23.405
flat angles C4'-P-C4' energy: -18.797
flat angles P-C4'-P energy: -16.896
tors. eta vs tors. theta energy: -23.478
Dist. restrs. and SS energy: -50.400 (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: 4
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -305.040214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.040214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.040214 (E_RNA)
where:
Base-Base interactions energy: -174.701
where: short stacking energy: -91.778
Base-Backbone interact. energy: -0.404
local terms energy: -93.935675
where:
bonds (distance) C4'-P energy: -13.505
bonds (distance) P-C4' energy: -20.878
flat angles C4'-P-C4' energy: -18.855
flat angles P-C4'-P energy: -16.452
tors. eta vs tors. theta energy: -24.246
Dist. restrs. and SS energy: -36.000 (S_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: 373
Temperature: 1.200000
Total energy: -259.922624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.922624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.922624 (E_RNA)
where:
Base-Base interactions energy: -136.603
where: short stacking energy: -71.271
Base-Backbone interact. energy: -0.537
local terms energy: -86.782670
where:
bonds (distance) C4'-P energy: -19.411
bonds (distance) P-C4' energy: -22.141
flat angles C4'-P-C4' energy: -21.503
flat angles P-C4'-P energy: -12.200
tors. eta vs tors. theta energy: -11.527
Dist. restrs. and SS energy: -36.000 (S_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: 373
Temperature: 1.250000
Total energy: -253.410639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.410639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.210639 (E_RNA)
where:
Base-Base interactions energy: -131.410
where: short stacking energy: -62.261
Base-Backbone interact. energy: 0.021
local terms energy: -87.821435
where:
bonds (distance) C4'-P energy: -18.061
bonds (distance) P-C4' energy: -22.889
flat angles C4'-P-C4' energy: -24.442
flat angles P-C4'-P energy: -11.431
tors. eta vs tors. theta energy: -11.000
Dist. restrs. and SS energy: -34.200 (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: 6
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -293.744387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.744387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.744387 (E_RNA)
where:
Base-Base interactions energy: -165.961
where: short stacking energy: -81.454
Base-Backbone interact. energy: -0.463
local terms energy: -91.320129
where:
bonds (distance) C4'-P energy: -13.511
bonds (distance) P-C4' energy: -22.577
flat angles C4'-P-C4' energy: -13.348
flat angles P-C4'-P energy: -16.910
tors. eta vs tors. theta energy: -24.974
Dist. restrs. and SS energy: -36.000 (S_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: 373
Temperature: 1.350000
Total energy: -255.054551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.054551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.854551 (E_RNA)
where:
Base-Base interactions energy: -145.359
where: short stacking energy: -61.062
Base-Backbone interact. energy: -0.268
local terms energy: -75.227426
where:
bonds (distance) C4'-P energy: -21.120
bonds (distance) P-C4' energy: -20.455
flat angles C4'-P-C4' energy: -13.761
flat angles P-C4'-P energy: -10.934
tors. eta vs tors. theta energy: -8.957
Dist. restrs. and SS energy: -34.200 (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: 5
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -419.726528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.726528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.326528 (E_RNA)
where:
Base-Base interactions energy: -257.331
where: short stacking energy: -106.776
Base-Backbone interact. energy: -0.455
local terms energy: -111.540984
where:
bonds (distance) C4'-P energy: -23.485
bonds (distance) P-C4' energy: -20.361
flat angles C4'-P-C4' energy: -26.252
flat angles P-C4'-P energy: -13.247
tors. eta vs tors. theta energy: -28.196
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -411.937020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.937020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.337020 (E_RNA)
where:
Base-Base interactions energy: -246.451
where: short stacking energy: -99.049
Base-Backbone interact. energy: 0.430
local terms energy: -117.316295
where:
bonds (distance) C4'-P energy: -24.665
bonds (distance) P-C4' energy: -24.947
flat angles C4'-P-C4' energy: -21.559
flat angles P-C4'-P energy: -16.261
tors. eta vs tors. theta energy: -29.885
Dist. restrs. and SS energy: -48.600 (S_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: 374
Temperature: 1.000000
Total energy: -383.297090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.297090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.897090 (E_RNA)
where:
Base-Base interactions energy: -231.436
where: short stacking energy: -97.427
Base-Backbone interact. energy: -0.735
local terms energy: -100.726535
where:
bonds (distance) C4'-P energy: -17.323
bonds (distance) P-C4' energy: -21.164
flat angles C4'-P-C4' energy: -21.815
flat angles P-C4'-P energy: -17.863
tors. eta vs tors. theta energy: -22.562
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -362.307741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.307741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.907741 (E_RNA)
where:
Base-Base interactions energy: -213.650
where: short stacking energy: -78.631
Base-Backbone interact. energy: -1.232
local terms energy: -97.026318
where:
bonds (distance) C4'-P energy: -18.270
bonds (distance) P-C4' energy: -20.876
flat angles C4'-P-C4' energy: -21.391
flat angles P-C4'-P energy: -16.365
tors. eta vs tors. theta energy: -20.124
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -385.731522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.731522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.331522 (E_RNA)
where:
Base-Base interactions energy: -233.549
where: short stacking energy: -91.220
Base-Backbone interact. energy: -0.999
local terms energy: -100.783592
where:
bonds (distance) C4'-P energy: -21.759
bonds (distance) P-C4' energy: -15.803
flat angles C4'-P-C4' energy: -21.080
flat angles P-C4'-P energy: -14.807
tors. eta vs tors. theta energy: -27.333
Dist. restrs. and SS energy: -50.400 (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: 4
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -300.189318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.189318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.189318 (E_RNA)
where:
Base-Base interactions energy: -166.432
where: short stacking energy: -79.266
Base-Backbone interact. energy: -0.056
local terms energy: -97.702008
where:
bonds (distance) C4'-P energy: -20.066
bonds (distance) P-C4' energy: -21.775
flat angles C4'-P-C4' energy: -19.100
flat angles P-C4'-P energy: -17.887
tors. eta vs tors. theta energy: -18.874
Dist. restrs. and SS energy: -36.000 (S_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: 374
Temperature: 1.200000
Total energy: -271.201331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.201331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.201331 (E_RNA)
where:
Base-Base interactions energy: -140.775
where: short stacking energy: -69.881
Base-Backbone interact. energy: 0.049
local terms energy: -94.475790
where:
bonds (distance) C4'-P energy: -19.008
bonds (distance) P-C4' energy: -24.392
flat angles C4'-P-C4' energy: -23.196
flat angles P-C4'-P energy: -17.453
tors. eta vs tors. theta energy: -10.426
Dist. restrs. and SS energy: -36.000 (S_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: 374
Temperature: 1.250000
Total energy: -258.803909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.803909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.403909 (E_RNA)
where:
Base-Base interactions energy: -155.766
where: short stacking energy: -71.719
Base-Backbone interact. energy: 0.814
local terms energy: -71.451447
where:
bonds (distance) C4'-P energy: -16.329
bonds (distance) P-C4' energy: -20.313
flat angles C4'-P-C4' energy: -15.693
flat angles P-C4'-P energy: -10.426
tors. eta vs tors. theta energy: -8.691
Dist. restrs. and SS energy: -32.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -265.807916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.807916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.207916 (E_RNA)
where:
Base-Base interactions energy: -149.062
where: short stacking energy: -61.709
Base-Backbone interact. energy: -0.424
local terms energy: -85.721552
where:
bonds (distance) C4'-P energy: -16.799
bonds (distance) P-C4' energy: -24.933
flat angles C4'-P-C4' energy: -19.401
flat angles P-C4'-P energy: -14.482
tors. eta vs tors. theta energy: -10.105
Dist. restrs. and SS energy: -30.600 (S_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: 374
Temperature: 1.350000
Total energy: -255.125509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.125509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.125509 (E_RNA)
where:
Base-Base interactions energy: -136.251
where: short stacking energy: -52.400
Base-Backbone interact. energy: -0.390
local terms energy: -82.484694
where:
bonds (distance) C4'-P energy: -15.123
bonds (distance) P-C4' energy: -19.053
flat angles C4'-P-C4' energy: -21.536
flat angles P-C4'-P energy: -19.217
tors. eta vs tors. theta energy: -7.556
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -423.957817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.957817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.557817 (E_RNA)
where:
Base-Base interactions energy: -262.612
where: short stacking energy: -99.429
Base-Backbone interact. energy: -3.036
local terms energy: -107.910572
where:
bonds (distance) C4'-P energy: -21.561
bonds (distance) P-C4' energy: -24.617
flat angles C4'-P-C4' energy: -21.393
flat angles P-C4'-P energy: -12.001
tors. eta vs tors. theta energy: -28.338
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -408.729645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.729645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.329645 (E_RNA)
where:
Base-Base interactions energy: -251.149
where: short stacking energy: -83.506
Base-Backbone interact. energy: -0.407
local terms energy: -106.773705
where:
bonds (distance) C4'-P energy: -18.242
bonds (distance) P-C4' energy: -24.074
flat angles C4'-P-C4' energy: -19.652
flat angles P-C4'-P energy: -17.367
tors. eta vs tors. theta energy: -27.439
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -401.012988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.012988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.012988 (E_RNA)
where:
Base-Base interactions energy: -245.742
where: short stacking energy: -94.101
Base-Backbone interact. energy: -1.518
local terms energy: -108.753607
where:
bonds (distance) C4'-P energy: -24.593
bonds (distance) P-C4' energy: -22.350
flat angles C4'-P-C4' energy: -22.451
flat angles P-C4'-P energy: -15.768
tors. eta vs tors. theta energy: -23.592
Dist. restrs. and SS energy: -45.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -391.013067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.013067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.613067 (E_RNA)
where:
Base-Base interactions energy: -244.447
where: short stacking energy: -93.989
Base-Backbone interact. energy: -0.635
local terms energy: -95.531128
where:
bonds (distance) C4'-P energy: -18.116
bonds (distance) P-C4' energy: -16.742
flat angles C4'-P-C4' energy: -18.989
flat angles P-C4'-P energy: -14.004
tors. eta vs tors. theta energy: -27.680
Dist. restrs. and SS energy: -50.400 (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: 375
Temperature: 1.100000
Total energy: -369.962456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.962456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.562456 (E_RNA)
where:
Base-Base interactions energy: -228.211
where: short stacking energy: -85.996
Base-Backbone interact. energy: -0.945
local terms energy: -90.405513
where:
bonds (distance) C4'-P energy: -15.553
bonds (distance) P-C4' energy: -24.301
flat angles C4'-P-C4' energy: -20.080
flat angles P-C4'-P energy: -9.981
tors. eta vs tors. theta energy: -20.491
Dist. restrs. and SS energy: -50.400 (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: 4
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -300.654271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.654271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.654271 (E_RNA)
where:
Base-Base interactions energy: -175.449
where: short stacking energy: -88.328
Base-Backbone interact. energy: -0.662
local terms energy: -88.542544
where:
bonds (distance) C4'-P energy: -20.406
bonds (distance) P-C4' energy: -18.932
flat angles C4'-P-C4' energy: -24.803
flat angles P-C4'-P energy: -2.094
tors. eta vs tors. theta energy: -22.308
Dist. restrs. and SS energy: -36.000 (S_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: 375
Temperature: 1.200000
Total energy: -275.478628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.478628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.478628 (E_RNA)
where:
Base-Base interactions energy: -155.858
where: short stacking energy: -64.285
Base-Backbone interact. energy: -0.664
local terms energy: -82.955826
where:
bonds (distance) C4'-P energy: -20.373
bonds (distance) P-C4' energy: -19.091
flat angles C4'-P-C4' energy: -18.828
flat angles P-C4'-P energy: -12.085
tors. eta vs tors. theta energy: -12.579
Dist. restrs. and SS energy: -36.000 (S_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: 375
Temperature: 1.250000
Total energy: -253.568045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.568045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.568045 (E_RNA)
where:
Base-Base interactions energy: -139.400
where: short stacking energy: -70.160
Base-Backbone interact. energy: -0.770
local terms energy: -77.397269
where:
bonds (distance) C4'-P energy: -12.112
bonds (distance) P-C4' energy: -22.297
flat angles C4'-P-C4' energy: -17.396
flat angles P-C4'-P energy: -13.413
tors. eta vs tors. theta energy: -12.179
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -260.311710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.311710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.311710 (E_RNA)
where:
Base-Base interactions energy: -138.319
where: short stacking energy: -62.144
Base-Backbone interact. energy: -0.123
local terms energy: -85.868963
where:
bonds (distance) C4'-P energy: -15.057
bonds (distance) P-C4' energy: -19.221
flat angles C4'-P-C4' energy: -19.012
flat angles P-C4'-P energy: -13.573
tors. eta vs tors. theta energy: -19.006
Dist. restrs. and SS energy: -36.000 (S_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: 375
Temperature: 1.350000
Total energy: -236.184570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.184570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.184570 (E_RNA)
where:
Base-Base interactions energy: -122.251
where: short stacking energy: -53.504
Base-Backbone interact. energy: 0.289
local terms energy: -78.222396
where:
bonds (distance) C4'-P energy: -24.532
bonds (distance) P-C4' energy: -20.217
flat angles C4'-P-C4' energy: -14.652
flat angles P-C4'-P energy: -13.207
tors. eta vs tors. theta energy: -5.614
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -410.507042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.507042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.107042 (E_RNA)
where:
Base-Base interactions energy: -258.351
where: short stacking energy: -91.753
Base-Backbone interact. energy: 0.283
local terms energy: -102.038744
where:
bonds (distance) C4'-P energy: -16.369
bonds (distance) P-C4' energy: -24.664
flat angles C4'-P-C4' energy: -20.767
flat angles P-C4'-P energy: -12.890
tors. eta vs tors. theta energy: -27.348
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -414.913923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.913923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.513923 (E_RNA)
where:
Base-Base interactions energy: -252.241
where: short stacking energy: -99.282
Base-Backbone interact. energy: -0.648
local terms energy: -111.625133
where:
bonds (distance) C4'-P energy: -20.319
bonds (distance) P-C4' energy: -23.467
flat angles C4'-P-C4' energy: -23.877
flat angles P-C4'-P energy: -14.142
tors. eta vs tors. theta energy: -29.819
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -393.626073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.626073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.226073 (E_RNA)
where:
Base-Base interactions energy: -235.616
where: short stacking energy: -95.514
Base-Backbone interact. energy: -0.770
local terms energy: -106.839978
where:
bonds (distance) C4'-P energy: -18.647
bonds (distance) P-C4' energy: -23.693
flat angles C4'-P-C4' energy: -23.167
flat angles P-C4'-P energy: -16.023
tors. eta vs tors. theta energy: -25.310
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -407.082191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.082191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.682191 (E_RNA)
where:
Base-Base interactions energy: -252.573
where: short stacking energy: -101.299
Base-Backbone interact. energy: -0.571
local terms energy: -103.538088
where:
bonds (distance) C4'-P energy: -17.572
bonds (distance) P-C4' energy: -25.293
flat angles C4'-P-C4' energy: -20.938
flat angles P-C4'-P energy: -12.799
tors. eta vs tors. theta energy: -26.936
Dist. restrs. and SS energy: -50.400 (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: 4
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -304.573525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.573525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.573525 (E_RNA)
where:
Base-Base interactions energy: -167.021
where: short stacking energy: -83.874
Base-Backbone interact. energy: -0.155
local terms energy: -101.397866
where:
bonds (distance) C4'-P energy: -19.821
bonds (distance) P-C4' energy: -21.908
flat angles C4'-P-C4' energy: -20.470
flat angles P-C4'-P energy: -14.213
tors. eta vs tors. theta energy: -24.986
Dist. restrs. and SS energy: -36.000 (S_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: 376
Temperature: 1.150000
Total energy: -358.986129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.986129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.586129 (E_RNA)
where:
Base-Base interactions energy: -214.597
where: short stacking energy: -82.030
Base-Backbone interact. energy: -1.502
local terms energy: -92.487193
where:
bonds (distance) C4'-P energy: -22.898
bonds (distance) P-C4' energy: -17.760
flat angles C4'-P-C4' energy: -19.656
flat angles P-C4'-P energy: -12.665
tors. eta vs tors. theta energy: -19.508
Dist. restrs. and SS energy: -50.400 (S_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: 376
Temperature: 1.200000
Total energy: -281.625189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.625189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.625189 (E_RNA)
where:
Base-Base interactions energy: -152.554
where: short stacking energy: -79.733
Base-Backbone interact. energy: -0.113
local terms energy: -92.958209
where:
bonds (distance) C4'-P energy: -19.084
bonds (distance) P-C4' energy: -22.098
flat angles C4'-P-C4' energy: -20.606
flat angles P-C4'-P energy: -13.059
tors. eta vs tors. theta energy: -18.112
Dist. restrs. and SS energy: -36.000 (S_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: 376
Temperature: 1.250000
Total energy: -265.805601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.805601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.605601 (E_RNA)
where:
Base-Base interactions energy: -148.202
where: short stacking energy: -66.498
Base-Backbone interact. energy: -0.310
local terms energy: -83.094116
where:
bonds (distance) C4'-P energy: -19.444
bonds (distance) P-C4' energy: -27.273
flat angles C4'-P-C4' energy: -19.347
flat angles P-C4'-P energy: -1.790
tors. eta vs tors. theta energy: -15.241
Dist. restrs. and SS energy: -34.200 (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: 2
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -255.722770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.722770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.722770 (E_RNA)
where:
Base-Base interactions energy: -133.795
where: short stacking energy: -66.830
Base-Backbone interact. energy: -0.747
local terms energy: -85.180783
where:
bonds (distance) C4'-P energy: -19.946
bonds (distance) P-C4' energy: -20.785
flat angles C4'-P-C4' energy: -24.071
flat angles P-C4'-P energy: -11.427
tors. eta vs tors. theta energy: -8.952
Dist. restrs. and SS energy: -36.000 (S_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: 376
Temperature: 1.350000
Total energy: -250.665652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.665652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.465652 (E_RNA)
where:
Base-Base interactions energy: -138.663
where: short stacking energy: -64.812
Base-Backbone interact. energy: -0.253
local terms energy: -77.549332
where:
bonds (distance) C4'-P energy: -18.141
bonds (distance) P-C4' energy: -21.168
flat angles C4'-P-C4' energy: -18.584
flat angles P-C4'-P energy: -10.731
tors. eta vs tors. theta energy: -8.926
Dist. restrs. and SS energy: -34.200 (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: 5
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -406.376165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.376165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.776165 (E_RNA)
where:
Base-Base interactions energy: -248.332
where: short stacking energy: -95.004
Base-Backbone interact. energy: -1.350
local terms energy: -108.094383
where:
bonds (distance) C4'-P energy: -20.104
bonds (distance) P-C4' energy: -24.532
flat angles C4'-P-C4' energy: -20.710
flat angles P-C4'-P energy: -16.362
tors. eta vs tors. theta energy: -26.387
Dist. restrs. and SS energy: -48.600 (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: 7
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -411.848694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.848694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.448694 (E_RNA)
where:
Base-Base interactions energy: -251.632
where: short stacking energy: -95.306
Base-Backbone interact. energy: -1.655
local terms energy: -108.161704
where:
bonds (distance) C4'-P energy: -20.455
bonds (distance) P-C4' energy: -14.942
flat angles C4'-P-C4' energy: -26.189
flat angles P-C4'-P energy: -19.051
tors. eta vs tors. theta energy: -27.525
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -391.744541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.744541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.344541 (E_RNA)
where:
Base-Base interactions energy: -241.902
where: short stacking energy: -91.486
Base-Backbone interact. energy: -0.986
local terms energy: -98.456496
where:
bonds (distance) C4'-P energy: -16.035
bonds (distance) P-C4' energy: -21.528
flat angles C4'-P-C4' energy: -21.389
flat angles P-C4'-P energy: -16.720
tors. eta vs tors. theta energy: -22.785
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -392.466471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.466471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.866471 (E_RNA)
where:
Base-Base interactions energy: -245.763
where: short stacking energy: -98.346
Base-Backbone interact. energy: -0.675
local terms energy: -97.428229
where:
bonds (distance) C4'-P energy: -16.652
bonds (distance) P-C4' energy: -20.741
flat angles C4'-P-C4' energy: -21.899
flat angles P-C4'-P energy: -12.552
tors. eta vs tors. theta energy: -25.585
Dist. restrs. and SS energy: -48.600 (S_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: 377
Temperature: 1.100000
Total energy: -292.803514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.803514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.603514 (E_RNA)
where:
Base-Base interactions energy: -160.424
where: short stacking energy: -77.921
Base-Backbone interact. energy: -0.230
local terms energy: -97.949719
where:
bonds (distance) C4'-P energy: -22.575
bonds (distance) P-C4' energy: -20.999
flat angles C4'-P-C4' energy: -20.491
flat angles P-C4'-P energy: -16.205
tors. eta vs tors. theta energy: -17.680
Dist. restrs. and SS energy: -34.200 (S_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: 377
Temperature: 1.150000
Total energy: -351.035104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.035104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.635104 (E_RNA)
where:
Base-Base interactions energy: -212.755
where: short stacking energy: -82.150
Base-Backbone interact. energy: -0.399
local terms energy: -87.481209
where:
bonds (distance) C4'-P energy: -16.252
bonds (distance) P-C4' energy: -22.451
flat angles C4'-P-C4' energy: -12.702
flat angles P-C4'-P energy: -18.010
tors. eta vs tors. theta energy: -18.065
Dist. restrs. and SS energy: -50.400 (S_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: 377
Temperature: 1.200000
Total energy: -276.094700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.094700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.094700 (E_RNA)
where:
Base-Base interactions energy: -145.996
where: short stacking energy: -57.721
Base-Backbone interact. energy: -0.507
local terms energy: -93.591927
where:
bonds (distance) C4'-P energy: -20.198
bonds (distance) P-C4' energy: -24.040
flat angles C4'-P-C4' energy: -24.328
flat angles P-C4'-P energy: -16.682
tors. eta vs tors. theta energy: -8.344
Dist. restrs. and SS energy: -36.000 (S_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: 377
Temperature: 1.250000
Total energy: -250.622706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.622706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.622706 (E_RNA)
where:
Base-Base interactions energy: -135.160
where: short stacking energy: -62.543
Base-Backbone interact. energy: -0.405
local terms energy: -79.057443
where:
bonds (distance) C4'-P energy: -17.172
bonds (distance) P-C4' energy: -21.904
flat angles C4'-P-C4' energy: -16.612
flat angles P-C4'-P energy: -13.769
tors. eta vs tors. theta energy: -9.601
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -279.313085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.313085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.313085 (E_RNA)
where:
Base-Base interactions energy: -145.247
where: short stacking energy: -63.804
Base-Backbone interact. energy: -0.596
local terms energy: -97.470459
where:
bonds (distance) C4'-P energy: -20.962
bonds (distance) P-C4' energy: -25.857
flat angles C4'-P-C4' energy: -17.747
flat angles P-C4'-P energy: -18.472
tors. eta vs tors. theta energy: -14.432
Dist. restrs. and SS energy: -36.000 (S_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: 377
Temperature: 1.350000
Total energy: -252.409426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.409426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.809426 (E_RNA)
where:
Base-Base interactions energy: -135.100
where: short stacking energy: -53.987
Base-Backbone interact. energy: -0.717
local terms energy: -76.992401
where:
bonds (distance) C4'-P energy: -20.931
bonds (distance) P-C4' energy: -17.244
flat angles C4'-P-C4' energy: -18.876
flat angles P-C4'-P energy: -13.166
tors. eta vs tors. theta energy: -6.775
Dist. restrs. and SS energy: -39.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -419.693706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.693706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.293706 (E_RNA)
where:
Base-Base interactions energy: -255.659
where: short stacking energy: -93.184
Base-Backbone interact. energy: -1.654
local terms energy: -111.980600
where:
bonds (distance) C4'-P energy: -24.306
bonds (distance) P-C4' energy: -22.947
flat angles C4'-P-C4' energy: -18.569
flat angles P-C4'-P energy: -16.270
tors. eta vs tors. theta energy: -29.888
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -406.043194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.043194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.643194 (E_RNA)
where:
Base-Base interactions energy: -251.965
where: short stacking energy: -90.600
Base-Backbone interact. energy: 0.889
local terms energy: -104.567009
where:
bonds (distance) C4'-P energy: -24.344
bonds (distance) P-C4' energy: -20.873
flat angles C4'-P-C4' energy: -22.077
flat angles P-C4'-P energy: -14.360
tors. eta vs tors. theta energy: -22.913
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -416.202196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.202196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.802196 (E_RNA)
where:
Base-Base interactions energy: -252.492
where: short stacking energy: -102.467
Base-Backbone interact. energy: -1.662
local terms energy: -111.648580
where:
bonds (distance) C4'-P energy: -18.567
bonds (distance) P-C4' energy: -22.315
flat angles C4'-P-C4' energy: -21.259
flat angles P-C4'-P energy: -18.988
tors. eta vs tors. theta energy: -30.521
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -381.715318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.715318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.115318 (E_RNA)
where:
Base-Base interactions energy: -236.184
where: short stacking energy: -98.547
Base-Backbone interact. energy: -0.481
local terms energy: -96.450072
where:
bonds (distance) C4'-P energy: -22.355
bonds (distance) P-C4' energy: -23.187
flat angles C4'-P-C4' energy: -16.307
flat angles P-C4'-P energy: -11.353
tors. eta vs tors. theta energy: -23.248
Dist. restrs. and SS energy: -48.600 (S_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: 378
Temperature: 1.100000
Total energy: -346.900384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.900384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.500384 (E_RNA)
where:
Base-Base interactions energy: -198.046
where: short stacking energy: -89.140
Base-Backbone interact. energy: 0.084
local terms energy: -98.538908
where:
bonds (distance) C4'-P energy: -18.525
bonds (distance) P-C4' energy: -21.444
flat angles C4'-P-C4' energy: -25.443
flat angles P-C4'-P energy: -11.029
tors. eta vs tors. theta energy: -22.098
Dist. restrs. and SS energy: -50.400 (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: 4
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -300.051899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.051899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.851899 (E_RNA)
where:
Base-Base interactions energy: -160.822
where: short stacking energy: -72.483
Base-Backbone interact. energy: -1.203
local terms energy: -103.826802
where:
bonds (distance) C4'-P energy: -26.229
bonds (distance) P-C4' energy: -19.528
flat angles C4'-P-C4' energy: -26.614
flat angles P-C4'-P energy: -15.434
tors. eta vs tors. theta energy: -16.021
Dist. restrs. and SS energy: -34.200 (S_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: 378
Temperature: 1.200000
Total energy: -278.924082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.924082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.924082 (E_RNA)
where:
Base-Base interactions energy: -152.010
where: short stacking energy: -76.219
Base-Backbone interact. energy: -0.003
local terms energy: -90.911855
where:
bonds (distance) C4'-P energy: -18.267
bonds (distance) P-C4' energy: -23.372
flat angles C4'-P-C4' energy: -19.922
flat angles P-C4'-P energy: -13.598
tors. eta vs tors. theta energy: -15.753
Dist. restrs. and SS energy: -36.000 (S_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: 378
Temperature: 1.250000
Total energy: -250.091001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.091001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.091001 (E_RNA)
where:
Base-Base interactions energy: -137.764
where: short stacking energy: -61.333
Base-Backbone interact. energy: -1.051
local terms energy: -75.276453
where:
bonds (distance) C4'-P energy: -17.825
bonds (distance) P-C4' energy: -16.128
flat angles C4'-P-C4' energy: -22.395
flat angles P-C4'-P energy: -6.458
tors. eta vs tors. theta energy: -12.471
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -285.887245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.887245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.887245 (E_RNA)
where:
Base-Base interactions energy: -164.713
where: short stacking energy: -74.969
Base-Backbone interact. energy: 1.633
local terms energy: -86.807327
where:
bonds (distance) C4'-P energy: -19.072
bonds (distance) P-C4' energy: -20.646
flat angles C4'-P-C4' energy: -22.570
flat angles P-C4'-P energy: -10.991
tors. eta vs tors. theta energy: -13.529
Dist. restrs. and SS energy: -36.000 (S_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: 378
Temperature: 1.350000
Total energy: -250.952642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.952642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.752642 (E_RNA)
where:
Base-Base interactions energy: -140.833
where: short stacking energy: -63.619
Base-Backbone interact. energy: -0.566
local terms energy: -75.353319
where:
bonds (distance) C4'-P energy: -18.881
bonds (distance) P-C4' energy: -22.633
flat angles C4'-P-C4' energy: -13.330
flat angles P-C4'-P energy: -8.657
tors. eta vs tors. theta energy: -11.853
Dist. restrs. and SS energy: -34.200 (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: 7
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -414.986857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.986857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.586857 (E_RNA)
where:
Base-Base interactions energy: -255.357
where: short stacking energy: -99.227
Base-Backbone interact. energy: -1.314
local terms energy: -107.916065
where:
bonds (distance) C4'-P energy: -17.536
bonds (distance) P-C4' energy: -21.604
flat angles C4'-P-C4' energy: -22.000
flat angles P-C4'-P energy: -18.061
tors. eta vs tors. theta energy: -28.715
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -410.527823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.527823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.127823 (E_RNA)
where:
Base-Base interactions energy: -245.461
where: short stacking energy: -103.873
Base-Backbone interact. energy: -1.047
local terms energy: -113.619158
where:
bonds (distance) C4'-P energy: -22.181
bonds (distance) P-C4' energy: -20.847
flat angles C4'-P-C4' energy: -28.244
flat angles P-C4'-P energy: -14.335
tors. eta vs tors. theta energy: -28.012
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -414.877287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.877287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.477287 (E_RNA)
where:
Base-Base interactions energy: -257.170
where: short stacking energy: -103.236
Base-Backbone interact. energy: -1.702
local terms energy: -105.605460
where:
bonds (distance) C4'-P energy: -19.861
bonds (distance) P-C4' energy: -21.477
flat angles C4'-P-C4' energy: -21.859
flat angles P-C4'-P energy: -16.862
tors. eta vs tors. theta energy: -25.547
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -347.904483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.904483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.504483 (E_RNA)
where:
Base-Base interactions energy: -199.644
where: short stacking energy: -80.063
Base-Backbone interact. energy: -0.449
local terms energy: -97.410916
where:
bonds (distance) C4'-P energy: -19.966
bonds (distance) P-C4' energy: -17.888
flat angles C4'-P-C4' energy: -20.726
flat angles P-C4'-P energy: -18.296
tors. eta vs tors. theta energy: -20.535
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -386.472453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.472453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.872453 (E_RNA)
where:
Base-Base interactions energy: -239.516
where: short stacking energy: -91.938
Base-Backbone interact. energy: -0.934
local terms energy: -97.422078
where:
bonds (distance) C4'-P energy: -17.767
bonds (distance) P-C4' energy: -19.835
flat angles C4'-P-C4' energy: -23.269
flat angles P-C4'-P energy: -13.684
tors. eta vs tors. theta energy: -22.867
Dist. restrs. and SS energy: -48.600 (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: 6
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -296.284301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.284301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.284301 (E_RNA)
where:
Base-Base interactions energy: -162.111
where: short stacking energy: -65.822
Base-Backbone interact. energy: 1.446
local terms energy: -99.620233
where:
bonds (distance) C4'-P energy: -20.800
bonds (distance) P-C4' energy: -23.504
flat angles C4'-P-C4' energy: -23.853
flat angles P-C4'-P energy: -14.222
tors. eta vs tors. theta energy: -17.240
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -308.581242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.581242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.181242 (E_RNA)
where:
Base-Base interactions energy: -176.377
where: short stacking energy: -87.280
Base-Backbone interact. energy: -0.701
local terms energy: -99.103432
where:
bonds (distance) C4'-P energy: -10.461
bonds (distance) P-C4' energy: -24.364
flat angles C4'-P-C4' energy: -24.470
flat angles P-C4'-P energy: -14.353
tors. eta vs tors. theta energy: -25.456
Dist. restrs. and SS energy: -32.400 (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: 9
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -280.643796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.643796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.443796 (E_RNA)
where:
Base-Base interactions energy: -162.646
where: short stacking energy: -86.994
Base-Backbone interact. energy: -0.117
local terms energy: -83.681120
where:
bonds (distance) C4'-P energy: -12.310
bonds (distance) P-C4' energy: -18.867
flat angles C4'-P-C4' energy: -18.694
flat angles P-C4'-P energy: -11.614
tors. eta vs tors. theta energy: -22.196
Dist. restrs. and SS energy: -34.200 (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: 2
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -270.544840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.544840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.744840 (E_RNA)
where:
Base-Base interactions energy: -155.779
where: short stacking energy: -62.424
Base-Backbone interact. energy: -0.309
local terms energy: -76.656452
where:
bonds (distance) C4'-P energy: -24.922
bonds (distance) P-C4' energy: -15.728
flat angles C4'-P-C4' energy: -7.931
flat angles P-C4'-P energy: -11.793
tors. eta vs tors. theta energy: -16.283
Dist. restrs. and SS energy: -37.800 (S_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: 379
Temperature: 1.350000
Total energy: -257.387188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.387188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.187188 (E_RNA)
where:
Base-Base interactions energy: -140.381
where: short stacking energy: -61.746
Base-Backbone interact. energy: -0.705
local terms energy: -82.102058
where:
bonds (distance) C4'-P energy: -18.530
bonds (distance) P-C4' energy: -16.892
flat angles C4'-P-C4' energy: -19.213
flat angles P-C4'-P energy: -12.500
tors. eta vs tors. theta energy: -14.966
Dist. restrs. and SS energy: -34.200 (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: 380
Temperature: 0.900000
Total energy: -422.283656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.283656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.883656 (E_RNA)
where:
Base-Base interactions energy: -256.190
where: short stacking energy: -99.339
Base-Backbone interact. energy: -0.927
local terms energy: -114.766842
where:
bonds (distance) C4'-P energy: -22.453
bonds (distance) P-C4' energy: -26.708
flat angles C4'-P-C4' energy: -24.999
flat angles P-C4'-P energy: -13.023
tors. eta vs tors. theta energy: -27.583
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -409.034655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.034655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.634655 (E_RNA)
where:
Base-Base interactions energy: -247.435
where: short stacking energy: -92.532
Base-Backbone interact. energy: -0.530
local terms energy: -110.669233
where:
bonds (distance) C4'-P energy: -24.994
bonds (distance) P-C4' energy: -19.512
flat angles C4'-P-C4' energy: -22.011
flat angles P-C4'-P energy: -16.808
tors. eta vs tors. theta energy: -27.345
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -398.859039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.859039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.459039 (E_RNA)
where:
Base-Base interactions energy: -246.111
where: short stacking energy: -100.895
Base-Backbone interact. energy: -0.846
local terms energy: -101.501926
where:
bonds (distance) C4'-P energy: -20.361
bonds (distance) P-C4' energy: -20.481
flat angles C4'-P-C4' energy: -18.661
flat angles P-C4'-P energy: -15.204
tors. eta vs tors. theta energy: -26.794
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -347.885561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.885561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.285561 (E_RNA)
where:
Base-Base interactions energy: -202.496
where: short stacking energy: -72.719
Base-Backbone interact. energy: -0.697
local terms energy: -96.092596
where:
bonds (distance) C4'-P energy: -26.130
bonds (distance) P-C4' energy: -14.295
flat angles C4'-P-C4' energy: -21.974
flat angles P-C4'-P energy: -13.529
tors. eta vs tors. theta energy: -20.164
Dist. restrs. and SS energy: -48.600 (S_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: 380
Temperature: 1.100000
Total energy: -382.844793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.844793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.444793 (E_RNA)
where:
Base-Base interactions energy: -228.904
where: short stacking energy: -99.766
Base-Backbone interact. energy: -1.033
local terms energy: -102.508229
where:
bonds (distance) C4'-P energy: -20.421
bonds (distance) P-C4' energy: -25.029
flat angles C4'-P-C4' energy: -18.267
flat angles P-C4'-P energy: -13.614
tors. eta vs tors. theta energy: -25.178
Dist. restrs. and SS energy: -50.400 (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: 6
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -288.321303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.321303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.121303 (E_RNA)
where:
Base-Base interactions energy: -153.164
where: short stacking energy: -68.336
Base-Backbone interact. energy: -0.262
local terms energy: -100.695223
where:
bonds (distance) C4'-P energy: -24.524
bonds (distance) P-C4' energy: -23.033
flat angles C4'-P-C4' energy: -19.982
flat angles P-C4'-P energy: -15.977
tors. eta vs tors. theta energy: -17.179
Dist. restrs. and SS energy: -34.200 (S_DIST_RNA)
chem. 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: -299.250340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.250340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.250340 (E_RNA)
where:
Base-Base interactions energy: -168.604
where: short stacking energy: -82.263
Base-Backbone interact. energy: -0.133
local terms energy: -94.513252
where:
bonds (distance) C4'-P energy: -19.808
bonds (distance) P-C4' energy: -21.459
flat angles C4'-P-C4' energy: -20.123
flat angles P-C4'-P energy: -12.853
tors. eta vs tors. theta energy: -20.270
Dist. restrs. and SS energy: -36.000 (S_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: 380
Temperature: 1.250000
Total energy: -281.794723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.794723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.794723 (E_RNA)
where:
Base-Base interactions energy: -155.955
where: short stacking energy: -70.981
Base-Backbone interact. energy: 1.285
local terms energy: -91.125284
where:
bonds (distance) C4'-P energy: -22.843
bonds (distance) P-C4' energy: -21.027
flat angles C4'-P-C4' energy: -20.616
flat angles P-C4'-P energy: -15.292
tors. eta vs tors. theta energy: -11.347
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -260.675232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.675232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.475232 (E_RNA)
where:
Base-Base interactions energy: -145.267
where: short stacking energy: -51.393
Base-Backbone interact. energy: -0.414
local terms energy: -71.794481
where:
bonds (distance) C4'-P energy: -20.846
bonds (distance) P-C4' energy: -21.763
flat angles C4'-P-C4' energy: -18.749
flat angles P-C4'-P energy: -7.300
tors. eta vs tors. theta energy: -3.136
Dist. restrs. and SS energy: -43.200 (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: 3
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -268.351093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.351093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.351093 (E_RNA)
where:
Base-Base interactions energy: -152.019
where: short stacking energy: -69.686
Base-Backbone interact. energy: 1.196
local terms energy: -81.528123
where:
bonds (distance) C4'-P energy: -19.460
bonds (distance) P-C4' energy: -20.139
flat angles C4'-P-C4' energy: -16.554
flat angles P-C4'-P energy: -9.451
tors. eta vs tors. theta energy: -15.924
Dist. restrs. and SS energy: -36.000 (S_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: 381
Temperature: 0.900000
Total energy: -414.434909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.434909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.034909 (E_RNA)
where:
Base-Base interactions energy: -246.344
where: short stacking energy: -96.482
Base-Backbone interact. energy: -0.016
local terms energy: -117.674909
where:
bonds (distance) C4'-P energy: -20.733
bonds (distance) P-C4' energy: -25.723
flat angles C4'-P-C4' energy: -20.576
flat angles P-C4'-P energy: -20.241
tors. eta vs tors. theta energy: -30.401
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -416.867726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.867726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.467726 (E_RNA)
where:
Base-Base interactions energy: -264.282
where: short stacking energy: -94.735
Base-Backbone interact. energy: -1.571
local terms energy: -100.615382
where:
bonds (distance) C4'-P energy: -16.989
bonds (distance) P-C4' energy: -17.926
flat angles C4'-P-C4' energy: -22.285
flat angles P-C4'-P energy: -14.755
tors. eta vs tors. theta energy: -28.661
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -398.305471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.305471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.905471 (E_RNA)
where:
Base-Base interactions energy: -229.423
where: short stacking energy: -90.299
Base-Backbone interact. energy: -0.214
local terms energy: -118.268242
where:
bonds (distance) C4'-P energy: -18.761
bonds (distance) P-C4' energy: -23.698
flat angles C4'-P-C4' energy: -22.988
flat angles P-C4'-P energy: -22.773
tors. eta vs tors. theta energy: -30.048
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -399.435953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.435953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.835953 (E_RNA)
where:
Base-Base interactions energy: -243.704
where: short stacking energy: -83.347
Base-Backbone interact. energy: -1.045
local terms energy: -106.086780
where:
bonds (distance) C4'-P energy: -23.215
bonds (distance) P-C4' energy: -26.188
flat angles C4'-P-C4' energy: -17.448
flat angles P-C4'-P energy: -16.694
tors. eta vs tors. theta energy: -22.542
Dist. restrs. and SS energy: -48.600 (S_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: -359.727681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.727681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.127681 (E_RNA)
where:
Base-Base interactions energy: -214.435
where: short stacking energy: -91.478
Base-Backbone interact. energy: -0.111
local terms energy: -96.581964
where:
bonds (distance) C4'-P energy: -21.858
bonds (distance) P-C4' energy: -17.247
flat angles C4'-P-C4' energy: -18.959
flat angles P-C4'-P energy: -12.608
tors. eta vs tors. theta energy: -25.911
Dist. restrs. and SS energy: -48.600 (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: 6
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -296.367768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.367768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.367768 (E_RNA)
where:
Base-Base interactions energy: -160.198
where: short stacking energy: -72.613
Base-Backbone interact. energy: -0.791
local terms energy: -99.378210
where:
bonds (distance) C4'-P energy: -19.005
bonds (distance) P-C4' energy: -25.533
flat angles C4'-P-C4' energy: -23.538
flat angles P-C4'-P energy: -10.575
tors. eta vs tors. theta energy: -20.727
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. 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: -295.622932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.622932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.622932 (E_RNA)
where:
Base-Base interactions energy: -165.266
where: short stacking energy: -65.822
Base-Backbone interact. energy: -0.932
local terms energy: -93.424117
where:
bonds (distance) C4'-P energy: -21.892
bonds (distance) P-C4' energy: -21.644
flat angles C4'-P-C4' energy: -18.777
flat angles P-C4'-P energy: -11.825
tors. eta vs tors. theta energy: -19.287
Dist. restrs. and SS energy: -36.000 (S_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: 381
Temperature: 1.250000
Total energy: -266.883864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.883864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.083864 (E_RNA)
where:
Base-Base interactions energy: -140.731
where: short stacking energy: -59.309
Base-Backbone interact. energy: -0.687
local terms energy: -87.666143
where:
bonds (distance) C4'-P energy: -17.635
bonds (distance) P-C4' energy: -18.588
flat angles C4'-P-C4' energy: -23.639
flat angles P-C4'-P energy: -14.554
tors. eta vs tors. theta energy: -13.250
Dist. restrs. and SS energy: -37.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -266.936148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.936148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.936148 (E_RNA)
where:
Base-Base interactions energy: -143.515
where: short stacking energy: -66.437
Base-Backbone interact. energy: -0.267
local terms energy: -87.153990
where:
bonds (distance) C4'-P energy: -21.291
bonds (distance) P-C4' energy: -20.330
flat angles C4'-P-C4' energy: -21.634
flat angles P-C4'-P energy: -11.486
tors. eta vs tors. theta energy: -12.413
Dist. restrs. and SS energy: -36.000 (S_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: 381
Temperature: 1.350000
Total energy: -263.621404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.621404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.621404 (E_RNA)
where:
Base-Base interactions energy: -148.506
where: short stacking energy: -69.044
Base-Backbone interact. energy: -0.632
local terms energy: -78.483597
where:
bonds (distance) C4'-P energy: -17.932
bonds (distance) P-C4' energy: -19.791
flat angles C4'-P-C4' energy: -24.971
flat angles P-C4'-P energy: -9.378
tors. eta vs tors. theta energy: -6.412
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -412.521165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.521165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.921165 (E_RNA)
where:
Base-Base interactions energy: -256.972
where: short stacking energy: -100.652
Base-Backbone interact. energy: -1.338
local terms energy: -105.611705
where:
bonds (distance) C4'-P energy: -18.140
bonds (distance) P-C4' energy: -23.263
flat angles C4'-P-C4' energy: -16.793
flat angles P-C4'-P energy: -14.167
tors. eta vs tors. theta energy: -33.248
Dist. restrs. and SS energy: -48.600 (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: 1
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -408.463820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.463820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.063820 (E_RNA)
where:
Base-Base interactions energy: -251.343
where: short stacking energy: -98.491
Base-Backbone interact. energy: -1.490
local terms energy: -105.230394
where:
bonds (distance) C4'-P energy: -23.192
bonds (distance) P-C4' energy: -18.296
flat angles C4'-P-C4' energy: -19.885
flat angles P-C4'-P energy: -15.997
tors. eta vs tors. theta energy: -27.860
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -415.433003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.433003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.033003 (E_RNA)
where:
Base-Base interactions energy: -250.083
where: short stacking energy: -96.815
Base-Backbone interact. energy: 0.530
local terms energy: -115.479708
where:
bonds (distance) C4'-P energy: -21.290
bonds (distance) P-C4' energy: -26.823
flat angles C4'-P-C4' energy: -24.393
flat angles P-C4'-P energy: -14.294
tors. eta vs tors. theta energy: -28.679
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -387.897542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.897542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.497542 (E_RNA)
where:
Base-Base interactions energy: -225.000
where: short stacking energy: -91.544
Base-Backbone interact. energy: -0.620
local terms energy: -111.877972
where:
bonds (distance) C4'-P energy: -22.131
bonds (distance) P-C4' energy: -23.912
flat angles C4'-P-C4' energy: -22.989
flat angles P-C4'-P energy: -16.805
tors. eta vs tors. theta energy: -26.041
Dist. restrs. and SS energy: -50.400 (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: 382
Temperature: 1.100000
Total energy: -353.730304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.730304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.330304 (E_RNA)
where:
Base-Base interactions energy: -219.618
where: short stacking energy: -78.688
Base-Backbone interact. energy: 2.738
local terms energy: -86.451144
where:
bonds (distance) C4'-P energy: -13.566
bonds (distance) P-C4' energy: -13.694
flat angles C4'-P-C4' energy: -24.671
flat angles P-C4'-P energy: -14.707
tors. eta vs tors. theta energy: -19.814
Dist. restrs. and SS energy: -50.400 (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: 6
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -305.626350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.626350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.626350 (E_RNA)
where:
Base-Base interactions energy: -175.738
where: short stacking energy: -82.100
Base-Backbone interact. energy: -0.339
local terms energy: -93.549226
where:
bonds (distance) C4'-P energy: -21.432
bonds (distance) P-C4' energy: -11.944
flat angles C4'-P-C4' energy: -23.863
flat angles P-C4'-P energy: -11.972
tors. eta vs tors. theta energy: -24.339
Dist. restrs. and SS energy: -36.000 (S_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: 382
Temperature: 1.200000
Total energy: -275.717950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.717950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.517950 (E_RNA)
where:
Base-Base interactions energy: -145.057
where: short stacking energy: -65.896
Base-Backbone interact. energy: -0.484
local terms energy: -86.976758
where:
bonds (distance) C4'-P energy: -17.286
bonds (distance) P-C4' energy: -15.177
flat angles C4'-P-C4' energy: -26.553
flat angles P-C4'-P energy: -15.286
tors. eta vs tors. theta energy: -12.673
Dist. restrs. and SS energy: -43.200 (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: 382
Temperature: 1.250000
Total energy: -297.119340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.119340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.919340 (E_RNA)
where:
Base-Base interactions energy: -161.298
where: short stacking energy: -88.778
Base-Backbone interact. energy: -0.218
local terms energy: -101.402917
where:
bonds (distance) C4'-P energy: -15.172
bonds (distance) P-C4' energy: -26.127
flat angles C4'-P-C4' energy: -22.288
flat angles P-C4'-P energy: -14.215
tors. eta vs tors. theta energy: -23.602
Dist. restrs. and SS energy: -34.200 (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: 3
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -264.086132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.086132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.086132 (E_RNA)
where:
Base-Base interactions energy: -154.102
where: short stacking energy: -68.231
Base-Backbone interact. energy: -0.328
local terms energy: -73.655958
where:
bonds (distance) C4'-P energy: -23.743
bonds (distance) P-C4' energy: -20.780
flat angles C4'-P-C4' energy: -15.800
flat angles P-C4'-P energy: -2.280
tors. eta vs tors. theta energy: -11.053
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -255.646016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.646016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.646016 (E_RNA)
where:
Base-Base interactions energy: -137.735
where: short stacking energy: -63.302
Base-Backbone interact. energy: -0.224
local terms energy: -81.686657
where:
bonds (distance) C4'-P energy: -20.586
bonds (distance) P-C4' energy: -20.856
flat angles C4'-P-C4' energy: -19.567
flat angles P-C4'-P energy: -8.714
tors. eta vs tors. theta energy: -11.963
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -415.862056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.862056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.462056 (E_RNA)
where:
Base-Base interactions energy: -264.211
where: short stacking energy: -103.883
Base-Backbone interact. energy: -0.667
local terms energy: -100.583841
where:
bonds (distance) C4'-P energy: -14.813
bonds (distance) P-C4' energy: -21.368
flat angles C4'-P-C4' energy: -24.923
flat angles P-C4'-P energy: -13.852
tors. eta vs tors. theta energy: -25.628
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -412.624098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.624098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.224098 (E_RNA)
where:
Base-Base interactions energy: -246.474
where: short stacking energy: -89.760
Base-Backbone interact. energy: 0.134
local terms energy: -115.883770
where:
bonds (distance) C4'-P energy: -22.177
bonds (distance) P-C4' energy: -22.304
flat angles C4'-P-C4' energy: -24.971
flat angles P-C4'-P energy: -18.629
tors. eta vs tors. theta energy: -27.802
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -399.141599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.141599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.741599 (E_RNA)
where:
Base-Base interactions energy: -241.871
where: short stacking energy: -92.990
Base-Backbone interact. energy: -0.181
local terms energy: -106.688772
where:
bonds (distance) C4'-P energy: -22.623
bonds (distance) P-C4' energy: -22.738
flat angles C4'-P-C4' energy: -23.941
flat angles P-C4'-P energy: -11.664
tors. eta vs tors. theta energy: -25.723
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -395.469740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.469740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.069740 (E_RNA)
where:
Base-Base interactions energy: -236.060
where: short stacking energy: -90.424
Base-Backbone interact. energy: -0.829
local terms energy: -108.180998
where:
bonds (distance) C4'-P energy: -19.015
bonds (distance) P-C4' energy: -26.191
flat angles C4'-P-C4' energy: -22.616
flat angles P-C4'-P energy: -14.244
tors. eta vs tors. theta energy: -26.115
Dist. restrs. and SS energy: -50.400 (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: 383
Temperature: 1.100000
Total energy: -336.510599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.510599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.110599 (E_RNA)
where:
Base-Base interactions energy: -199.577
where: short stacking energy: -79.389
Base-Backbone interact. energy: -0.098
local terms energy: -86.435668
where:
bonds (distance) C4'-P energy: -21.671
bonds (distance) P-C4' energy: -21.704
flat angles C4'-P-C4' energy: -20.885
flat angles P-C4'-P energy: -7.781
tors. eta vs tors. theta energy: -14.395
Dist. restrs. and SS energy: -50.400 (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: 6
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -302.096057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.096057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.896057 (E_RNA)
where:
Base-Base interactions energy: -182.019
where: short stacking energy: -81.393
Base-Backbone interact. energy: 0.054
local terms energy: -85.930865
where:
bonds (distance) C4'-P energy: -14.398
bonds (distance) P-C4' energy: -19.360
flat angles C4'-P-C4' energy: -22.824
flat angles P-C4'-P energy: -7.218
tors. eta vs tors. theta energy: -22.130
Dist. restrs. and SS energy: -34.200 (S_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: 383
Temperature: 1.200000
Total energy: -294.784929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.784929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.584929 (E_RNA)
where:
Base-Base interactions energy: -168.304
where: short stacking energy: -68.562
Base-Backbone interact. energy: -0.132
local terms energy: -92.148960
where:
bonds (distance) C4'-P energy: -21.714
bonds (distance) P-C4' energy: -24.380
flat angles C4'-P-C4' energy: -20.768
flat angles P-C4'-P energy: -5.875
tors. eta vs tors. theta energy: -19.411
Dist. restrs. and SS energy: -34.200 (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: 383
Temperature: 1.250000
Total energy: -271.960035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.960035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.760035 (E_RNA)
where:
Base-Base interactions energy: -155.454
where: short stacking energy: -72.683
Base-Backbone interact. energy: -0.102
local terms energy: -82.204028
where:
bonds (distance) C4'-P energy: -17.205
bonds (distance) P-C4' energy: -21.444
flat angles C4'-P-C4' energy: -18.576
flat angles P-C4'-P energy: -12.137
tors. eta vs tors. theta energy: -12.843
Dist. restrs. and SS energy: -34.200 (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: 3
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -257.006481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.006481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.006481 (E_RNA)
where:
Base-Base interactions energy: -141.594
where: short stacking energy: -58.323
Base-Backbone interact. energy: 0.319
local terms energy: -79.731734
where:
bonds (distance) C4'-P energy: -14.833
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -20.348
flat angles P-C4'-P energy: -18.585
tors. eta vs tors. theta energy: -10.648
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -237.534719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.534719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.534719 (E_RNA)
where:
Base-Base interactions energy: -124.660
where: short stacking energy: -56.298
Base-Backbone interact. energy: -0.234
local terms energy: -76.640306
where:
bonds (distance) C4'-P energy: -20.848
bonds (distance) P-C4' energy: -19.669
flat angles C4'-P-C4' energy: -16.725
flat angles P-C4'-P energy: -15.657
tors. eta vs tors. theta energy: -3.741
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -416.875266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.875266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.475266 (E_RNA)
where:
Base-Base interactions energy: -248.351
where: short stacking energy: -100.213
Base-Backbone interact. energy: -0.322
local terms energy: -117.802288
where:
bonds (distance) C4'-P energy: -24.047
bonds (distance) P-C4' energy: -22.274
flat angles C4'-P-C4' energy: -23.927
flat angles P-C4'-P energy: -21.200
tors. eta vs tors. theta energy: -26.355
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -403.247228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.247228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.647228 (E_RNA)
where:
Base-Base interactions energy: -248.608
where: short stacking energy: -100.325
Base-Backbone interact. energy: 0.146
local terms energy: -106.185595
where:
bonds (distance) C4'-P energy: -22.434
bonds (distance) P-C4' energy: -23.303
flat angles C4'-P-C4' energy: -19.328
flat angles P-C4'-P energy: -12.864
tors. eta vs tors. theta energy: -28.258
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -407.633648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.633648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.233648 (E_RNA)
where:
Base-Base interactions energy: -257.010
where: short stacking energy: -93.203
Base-Backbone interact. energy: -0.653
local terms energy: -99.570214
where:
bonds (distance) C4'-P energy: -21.389
bonds (distance) P-C4' energy: -14.721
flat angles C4'-P-C4' energy: -23.040
flat angles P-C4'-P energy: -14.232
tors. eta vs tors. theta energy: -26.190
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -397.937737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.937737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.337737 (E_RNA)
where:
Base-Base interactions energy: -243.527
where: short stacking energy: -91.992
Base-Backbone interact. energy: -1.218
local terms energy: -104.592185
where:
bonds (distance) C4'-P energy: -18.597
bonds (distance) P-C4' energy: -27.924
flat angles C4'-P-C4' energy: -24.040
flat angles P-C4'-P energy: -12.397
tors. eta vs tors. theta energy: -21.634
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -336.847905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.847905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.447905 (E_RNA)
where:
Base-Base interactions energy: -191.527
where: short stacking energy: -78.778
Base-Backbone interact. energy: -0.299
local terms energy: -94.622345
where:
bonds (distance) C4'-P energy: -19.647
bonds (distance) P-C4' energy: -19.646
flat angles C4'-P-C4' energy: -24.880
flat angles P-C4'-P energy: -13.581
tors. eta vs tors. theta energy: -16.868
Dist. restrs. and SS energy: -50.400 (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: 6
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -284.735971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.735971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.535971 (E_RNA)
where:
Base-Base interactions energy: -153.106
where: short stacking energy: -75.119
Base-Backbone interact. energy: 0.345
local terms energy: -97.774038
where:
bonds (distance) C4'-P energy: -22.097
bonds (distance) P-C4' energy: -23.344
flat angles C4'-P-C4' energy: -20.218
flat angles P-C4'-P energy: -16.710
tors. eta vs tors. theta energy: -15.405
Dist. restrs. and SS energy: -34.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -288.766179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.766179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.766179 (E_RNA)
where:
Base-Base interactions energy: -163.791
where: short stacking energy: -73.502
Base-Backbone interact. energy: -0.169
local terms energy: -88.805293
where:
bonds (distance) C4'-P energy: -20.996
bonds (distance) P-C4' energy: -16.538
flat angles C4'-P-C4' energy: -20.999
flat angles P-C4'-P energy: -14.899
tors. eta vs tors. theta energy: -15.373
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -288.797447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.797447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.997447 (E_RNA)
where:
Base-Base interactions energy: -179.378
where: short stacking energy: -85.807
Base-Backbone interact. energy: 4.569
local terms energy: -85.187837
where:
bonds (distance) C4'-P energy: -14.506
bonds (distance) P-C4' energy: -23.142
flat angles C4'-P-C4' energy: -18.404
flat angles P-C4'-P energy: -10.246
tors. eta vs tors. theta energy: -18.891
Dist. restrs. and SS energy: -28.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -263.980141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.980141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.980141 (E_RNA)
where:
Base-Base interactions energy: -142.636
where: short stacking energy: -66.966
Base-Backbone interact. energy: -0.141
local terms energy: -85.203310
where:
bonds (distance) C4'-P energy: -19.584
bonds (distance) P-C4' energy: -19.802
flat angles C4'-P-C4' energy: -20.404
flat angles P-C4'-P energy: -12.350
tors. eta vs tors. theta energy: -13.062
Dist. restrs. and SS energy: -36.000 (S_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: 384
Temperature: 1.350000
Total energy: -247.532124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.532124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.332124 (E_RNA)
where:
Base-Base interactions energy: -133.331
where: short stacking energy: -58.588
Base-Backbone interact. energy: 2.176
local terms energy: -82.176992
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -21.495
flat angles C4'-P-C4' energy: -17.463
flat angles P-C4'-P energy: -15.763
tors. eta vs tors. theta energy: -11.825
Dist. restrs. and SS energy: -34.200 (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: 5
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -403.369177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.369177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.969177 (E_RNA)
where:
Base-Base interactions energy: -245.999
where: short stacking energy: -103.125
Base-Backbone interact. energy: -0.094
local terms energy: -106.876383
where:
bonds (distance) C4'-P energy: -17.995
bonds (distance) P-C4' energy: -23.226
flat angles C4'-P-C4' energy: -23.922
flat angles P-C4'-P energy: -14.848
tors. eta vs tors. theta energy: -26.885
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -409.570939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.570939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.170939 (E_RNA)
where:
Base-Base interactions energy: -247.480
where: short stacking energy: -92.717
Base-Backbone interact. energy: -0.701
local terms energy: -110.990098
where:
bonds (distance) C4'-P energy: -25.037
bonds (distance) P-C4' energy: -23.848
flat angles C4'-P-C4' energy: -21.365
flat angles P-C4'-P energy: -17.901
tors. eta vs tors. theta energy: -22.838
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -401.867546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.867546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.267546 (E_RNA)
where:
Base-Base interactions energy: -238.942
where: short stacking energy: -96.903
Base-Backbone interact. energy: -0.719
local terms energy: -113.606337
where:
bonds (distance) C4'-P energy: -23.572
bonds (distance) P-C4' energy: -23.500
flat angles C4'-P-C4' energy: -23.069
flat angles P-C4'-P energy: -16.493
tors. eta vs tors. theta energy: -26.972
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -380.767132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.767132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.367132 (E_RNA)
where:
Base-Base interactions energy: -231.320
where: short stacking energy: -92.440
Base-Backbone interact. energy: -1.874
local terms energy: -97.173139
where:
bonds (distance) C4'-P energy: -19.354
bonds (distance) P-C4' energy: -17.146
flat angles C4'-P-C4' energy: -21.323
flat angles P-C4'-P energy: -14.441
tors. eta vs tors. theta energy: -24.910
Dist. restrs. and SS energy: -50.400 (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: 385
Temperature: 1.100000
Total energy: -337.074124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.074124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.274124 (E_RNA)
where:
Base-Base interactions energy: -196.491
where: short stacking energy: -76.663
Base-Backbone interact. energy: 2.639
local terms energy: -96.421452
where:
bonds (distance) C4'-P energy: -20.371
bonds (distance) P-C4' energy: -22.440
flat angles C4'-P-C4' energy: -22.289
flat angles P-C4'-P energy: -9.820
tors. eta vs tors. theta energy: -21.501
Dist. restrs. and SS energy: -46.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -312.343294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.343294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.743294 (E_RNA)
where:
Base-Base interactions energy: -183.799
where: short stacking energy: -81.682
Base-Backbone interact. energy: 0.607
local terms energy: -98.550725
where:
bonds (distance) C4'-P energy: -13.390
bonds (distance) P-C4' energy: -23.032
flat angles C4'-P-C4' energy: -25.007
flat angles P-C4'-P energy: -16.942
tors. eta vs tors. theta energy: -20.180
Dist. restrs. and SS energy: -30.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -276.303808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.303808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.303808 (E_RNA)
where:
Base-Base interactions energy: -144.602
where: short stacking energy: -67.641
Base-Backbone interact. energy: -0.105
local terms energy: -95.596759
where:
bonds (distance) C4'-P energy: -22.220
bonds (distance) P-C4' energy: -20.922
flat angles C4'-P-C4' energy: -24.998
flat angles P-C4'-P energy: -16.350
tors. eta vs tors. theta energy: -11.107
Dist. restrs. and SS energy: -36.000 (S_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: 385
Temperature: 1.250000
Total energy: -274.861341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.861341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.861341 (E_RNA)
where:
Base-Base interactions energy: -148.771
where: short stacking energy: -63.215
Base-Backbone interact. energy: -0.172
local terms energy: -89.918223
where:
bonds (distance) C4'-P energy: -17.037
bonds (distance) P-C4' energy: -25.694
flat angles C4'-P-C4' energy: -20.977
flat angles P-C4'-P energy: -16.688
tors. eta vs tors. theta energy: -9.523
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -249.702109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.702109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.502109 (E_RNA)
where:
Base-Base interactions energy: -142.253
where: short stacking energy: -66.512
Base-Backbone interact. energy: -0.776
local terms energy: -72.473960
where:
bonds (distance) C4'-P energy: -8.141
bonds (distance) P-C4' energy: -19.760
flat angles C4'-P-C4' energy: -25.454
flat angles P-C4'-P energy: -12.171
tors. eta vs tors. theta energy: -6.948
Dist. restrs. and SS energy: -34.200 (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: 3
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -265.820485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.820485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.820485 (E_RNA)
where:
Base-Base interactions energy: -152.417
where: short stacking energy: -70.346
Base-Backbone interact. energy: 1.386
local terms energy: -78.789291
where:
bonds (distance) C4'-P energy: -21.236
bonds (distance) P-C4' energy: -19.857
flat angles C4'-P-C4' energy: -19.732
flat angles P-C4'-P energy: -7.412
tors. eta vs tors. theta energy: -10.552
Dist. restrs. and SS energy: -36.000 (S_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: 386
Temperature: 0.900000
Total energy: -421.071454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.071454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.671454 (E_RNA)
where:
Base-Base interactions energy: -262.137
where: short stacking energy: -96.708
Base-Backbone interact. energy: -0.384
local terms energy: -108.150119
where:
bonds (distance) C4'-P energy: -18.949
bonds (distance) P-C4' energy: -24.650
flat angles C4'-P-C4' energy: -24.668
flat angles P-C4'-P energy: -15.562
tors. eta vs tors. theta energy: -24.322
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -410.895405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.895405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.495405 (E_RNA)
where:
Base-Base interactions energy: -260.218
where: short stacking energy: -98.228
Base-Backbone interact. energy: -1.078
local terms energy: -99.199141
where:
bonds (distance) C4'-P energy: -17.205
bonds (distance) P-C4' energy: -23.046
flat angles C4'-P-C4' energy: -16.819
flat angles P-C4'-P energy: -15.126
tors. eta vs tors. theta energy: -27.003
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -387.150485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.150485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.750485 (E_RNA)
where:
Base-Base interactions energy: -237.375
where: short stacking energy: -96.833
Base-Backbone interact. energy: 1.782
local terms energy: -101.157193
where:
bonds (distance) C4'-P energy: -23.412
bonds (distance) P-C4' energy: -21.961
flat angles C4'-P-C4' energy: -12.968
flat angles P-C4'-P energy: -17.339
tors. eta vs tors. theta energy: -25.478
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -373.255632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.255632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.855632 (E_RNA)
where:
Base-Base interactions energy: -221.914
where: short stacking energy: -88.507
Base-Backbone interact. energy: -0.739
local terms energy: -100.202941
where:
bonds (distance) C4'-P energy: -19.498
bonds (distance) P-C4' energy: -22.666
flat angles C4'-P-C4' energy: -21.586
flat angles P-C4'-P energy: -10.681
tors. eta vs tors. theta energy: -25.772
Dist. restrs. and SS energy: -50.400 (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: 386
Temperature: 1.100000
Total energy: -337.265685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.265685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.865685 (E_RNA)
where:
Base-Base interactions energy: -190.569
where: short stacking energy: -76.619
Base-Backbone interact. energy: -0.708
local terms energy: -95.588605
where:
bonds (distance) C4'-P energy: -20.280
bonds (distance) P-C4' energy: -24.761
flat angles C4'-P-C4' energy: -15.785
flat angles P-C4'-P energy: -15.876
tors. eta vs tors. theta energy: -18.887
Dist. restrs. and SS energy: -50.400 (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: 6
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -320.297666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.297666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.297666 (E_RNA)
where:
Base-Base interactions energy: -193.584
where: short stacking energy: -90.560
Base-Backbone interact. energy: -0.083
local terms energy: -90.630808
where:
bonds (distance) C4'-P energy: -12.853
bonds (distance) P-C4' energy: -22.916
flat angles C4'-P-C4' energy: -21.182
flat angles P-C4'-P energy: -14.470
tors. eta vs tors. theta energy: -19.210
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -303.878037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.878037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.878037 (E_RNA)
where:
Base-Base interactions energy: -172.985
where: short stacking energy: -80.093
Base-Backbone interact. energy: -0.020
local terms energy: -94.873588
where:
bonds (distance) C4'-P energy: -13.727
bonds (distance) P-C4' energy: -23.713
flat angles C4'-P-C4' energy: -20.774
flat angles P-C4'-P energy: -10.062
tors. eta vs tors. theta energy: -26.597
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -260.484610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.484610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.484610 (E_RNA)
where:
Base-Base interactions energy: -135.176
where: short stacking energy: -62.504
Base-Backbone interact. energy: -0.344
local terms energy: -88.964488
where:
bonds (distance) C4'-P energy: -22.757
bonds (distance) P-C4' energy: -23.312
flat angles C4'-P-C4' energy: -20.225
flat angles P-C4'-P energy: -7.120
tors. eta vs tors. theta energy: -15.551
Dist. restrs. and SS energy: -36.000 (S_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: 386
Temperature: 1.300000
Total energy: -264.812537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.812537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.812537 (E_RNA)
where:
Base-Base interactions energy: -138.853
where: short stacking energy: -57.078
Base-Backbone interact. energy: -0.198
local terms energy: -89.761994
where:
bonds (distance) C4'-P energy: -24.084
bonds (distance) P-C4' energy: -15.216
flat angles C4'-P-C4' energy: -17.175
flat angles P-C4'-P energy: -16.080
tors. eta vs tors. theta energy: -17.206
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -263.330798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.330798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.130798 (E_RNA)
where:
Base-Base interactions energy: -149.435
where: short stacking energy: -56.619
Base-Backbone interact. energy: 1.500
local terms energy: -72.195850
where:
bonds (distance) C4'-P energy: -19.406
bonds (distance) P-C4' energy: -19.395
flat angles C4'-P-C4' energy: -13.224
flat angles P-C4'-P energy: -11.759
tors. eta vs tors. theta energy: -8.412
Dist. restrs. and SS energy: -43.200 (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: 387
Temperature: 0.900000
Total energy: -420.404527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.404527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.804527 (E_RNA)
where:
Base-Base interactions energy: -258.678
where: short stacking energy: -96.972
Base-Backbone interact. energy: -0.548
local terms energy: -112.577652
where:
bonds (distance) C4'-P energy: -16.840
bonds (distance) P-C4' energy: -25.709
flat angles C4'-P-C4' energy: -24.659
flat angles P-C4'-P energy: -19.128
tors. eta vs tors. theta energy: -26.241
Dist. restrs. and SS energy: -48.600 (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: 5
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -405.858666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.858666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.058666 (E_RNA)
where:
Base-Base interactions energy: -245.397
where: short stacking energy: -100.743
Base-Backbone interact. energy: -0.926
local terms energy: -112.735796
where:
bonds (distance) C4'-P energy: -18.119
bonds (distance) P-C4' energy: -21.892
flat angles C4'-P-C4' energy: -22.312
flat angles P-C4'-P energy: -19.101
tors. eta vs tors. theta energy: -31.311
Dist. restrs. and SS energy: -46.800 (S_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: 387
Temperature: 1.000000
Total energy: -395.274476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.274476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.674476 (E_RNA)
where:
Base-Base interactions energy: -240.866
where: short stacking energy: -93.111
Base-Backbone interact. energy: 1.065
local terms energy: -106.873110
where:
bonds (distance) C4'-P energy: -19.763
bonds (distance) P-C4' energy: -26.699
flat angles C4'-P-C4' energy: -17.298
flat angles P-C4'-P energy: -14.405
tors. eta vs tors. theta energy: -28.709
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -346.126528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.126528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.726528 (E_RNA)
where:
Base-Base interactions energy: -202.712
where: short stacking energy: -83.730
Base-Backbone interact. energy: 0.296
local terms energy: -93.310463
where:
bonds (distance) C4'-P energy: -24.417
bonds (distance) P-C4' energy: -18.175
flat angles C4'-P-C4' energy: -16.182
flat angles P-C4'-P energy: -16.899
tors. eta vs tors. theta energy: -17.638
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -375.882404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.882404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.482404 (E_RNA)
where:
Base-Base interactions energy: -231.579
where: short stacking energy: -84.397
Base-Backbone interact. energy: -0.812
local terms energy: -93.091647
where:
bonds (distance) C4'-P energy: -17.151
bonds (distance) P-C4' energy: -21.147
flat angles C4'-P-C4' energy: -18.919
flat angles P-C4'-P energy: -10.676
tors. eta vs tors. theta energy: -25.200
Dist. restrs. and SS energy: -50.400 (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: 6
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -298.642326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.642326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.642326 (E_RNA)
where:
Base-Base interactions energy: -168.222
where: short stacking energy: -75.253
Base-Backbone interact. energy: -1.735
local terms energy: -92.685093
where:
bonds (distance) C4'-P energy: -25.285
bonds (distance) P-C4' energy: -22.611
flat angles C4'-P-C4' energy: -17.901
flat angles P-C4'-P energy: -17.026
tors. eta vs tors. theta energy: -9.862
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -289.963925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.963925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.363925 (E_RNA)
where:
Base-Base interactions energy: -166.044
where: short stacking energy: -80.486
Base-Backbone interact. energy: -0.200
local terms energy: -93.119745
where:
bonds (distance) C4'-P energy: -14.638
bonds (distance) P-C4' energy: -23.763
flat angles C4'-P-C4' energy: -21.330
flat angles P-C4'-P energy: -12.248
tors. eta vs tors. theta energy: -21.139
Dist. restrs. and SS energy: -30.600 (S_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: 387
Temperature: 1.250000
Total energy: -286.386820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.386820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.386820 (E_RNA)
where:
Base-Base interactions energy: -160.620
where: short stacking energy: -72.531
Base-Backbone interact. energy: -0.128
local terms energy: -89.638774
where:
bonds (distance) C4'-P energy: -21.663
bonds (distance) P-C4' energy: -14.073
flat angles C4'-P-C4' energy: -22.367
flat angles P-C4'-P energy: -13.089
tors. eta vs tors. theta energy: -18.446
Dist. restrs. and SS energy: -36.000 (S_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: 387
Temperature: 1.300000
Total energy: -269.533259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.533259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.533259 (E_RNA)
where:
Base-Base interactions energy: -147.562
where: short stacking energy: -60.936
Base-Backbone interact. energy: -0.228
local terms energy: -85.743781
where:
bonds (distance) C4'-P energy: -16.849
bonds (distance) P-C4' energy: -23.501
flat angles C4'-P-C4' energy: -20.420
flat angles P-C4'-P energy: -8.205
tors. eta vs tors. theta energy: -16.769
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -261.363424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.363424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.363424 (E_RNA)
where:
Base-Base interactions energy: -148.278
where: short stacking energy: -63.968
Base-Backbone interact. energy: -0.514
local terms energy: -76.571734
where:
bonds (distance) C4'-P energy: -18.533
bonds (distance) P-C4' energy: -23.906
flat angles C4'-P-C4' energy: -15.823
flat angles P-C4'-P energy: -6.370
tors. eta vs tors. theta energy: -11.940
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -412.536814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.536814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.136814 (E_RNA)
where:
Base-Base interactions energy: -256.605
where: short stacking energy: -99.994
Base-Backbone interact. energy: -0.862
local terms energy: -104.670066
where:
bonds (distance) C4'-P energy: -19.625
bonds (distance) P-C4' energy: -22.607
flat angles C4'-P-C4' energy: -21.100
flat angles P-C4'-P energy: -17.826
tors. eta vs tors. theta energy: -23.512
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -416.186117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.186117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.586117 (E_RNA)
where:
Base-Base interactions energy: -252.507
where: short stacking energy: -102.843
Base-Backbone interact. energy: 1.637
local terms energy: -116.715980
where:
bonds (distance) C4'-P energy: -24.965
bonds (distance) P-C4' energy: -23.741
flat angles C4'-P-C4' energy: -18.971
flat angles P-C4'-P energy: -21.684
tors. eta vs tors. theta energy: -27.355
Dist. restrs. and SS energy: -48.600 (S_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: 388
Temperature: 1.000000
Total energy: -404.462362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.462362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.662362 (E_RNA)
where:
Base-Base interactions energy: -247.130
where: short stacking energy: -92.679
Base-Backbone interact. energy: 1.475
local terms energy: -112.007627
where:
bonds (distance) C4'-P energy: -25.199
bonds (distance) P-C4' energy: -21.335
flat angles C4'-P-C4' energy: -23.216
flat angles P-C4'-P energy: -15.663
tors. eta vs tors. theta energy: -26.595
Dist. restrs. and SS energy: -46.800 (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: 8
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -355.037635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.037635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.637635 (E_RNA)
where:
Base-Base interactions energy: -220.589
where: short stacking energy: -82.573
Base-Backbone interact. energy: 0.960
local terms energy: -85.009254
where:
bonds (distance) C4'-P energy: -17.615
bonds (distance) P-C4' energy: -18.421
flat angles C4'-P-C4' energy: -20.550
flat angles P-C4'-P energy: -11.316
tors. eta vs tors. theta energy: -17.108
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -387.953168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.953168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.553168 (E_RNA)
where:
Base-Base interactions energy: -233.202
where: short stacking energy: -88.828
Base-Backbone interact. energy: -0.368
local terms energy: -103.982825
where:
bonds (distance) C4'-P energy: -16.096
bonds (distance) P-C4' energy: -21.032
flat angles C4'-P-C4' energy: -23.281
flat angles P-C4'-P energy: -18.729
tors. eta vs tors. theta energy: -24.844
Dist. restrs. and SS energy: -50.400 (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: 6
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -297.103592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.103592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.103592 (E_RNA)
where:
Base-Base interactions energy: -166.828
where: short stacking energy: -78.653
Base-Backbone interact. energy: -0.089
local terms energy: -94.186901
where:
bonds (distance) C4'-P energy: -17.395
bonds (distance) P-C4' energy: -23.429
flat angles C4'-P-C4' energy: -24.598
flat angles P-C4'-P energy: -12.237
tors. eta vs tors. theta energy: -16.527
Dist. restrs. and SS energy: -36.000 (S_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: 388
Temperature: 1.200000
Total energy: -282.680340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.680340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.680340 (E_RNA)
where:
Base-Base interactions energy: -151.831
where: short stacking energy: -66.146
Base-Backbone interact. energy: -0.395
local terms energy: -94.455026
where:
bonds (distance) C4'-P energy: -22.147
bonds (distance) P-C4' energy: -24.321
flat angles C4'-P-C4' energy: -15.908
flat angles P-C4'-P energy: -14.989
tors. eta vs tors. theta energy: -17.090
Dist. restrs. and SS energy: -36.000 (S_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: -271.787981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.787981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.787981 (E_RNA)
where:
Base-Base interactions energy: -144.725
where: short stacking energy: -70.483
Base-Backbone interact. energy: -0.500
local terms energy: -90.562749
where:
bonds (distance) C4'-P energy: -20.401
bonds (distance) P-C4' energy: -20.810
flat angles C4'-P-C4' energy: -17.243
flat angles P-C4'-P energy: -17.729
tors. eta vs tors. theta energy: -14.379
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -276.809343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.809343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.809343 (E_RNA)
where:
Base-Base interactions energy: -149.484
where: short stacking energy: -71.787
Base-Backbone interact. energy: -0.258
local terms energy: -91.067365
where:
bonds (distance) C4'-P energy: -19.065
bonds (distance) P-C4' energy: -19.793
flat angles C4'-P-C4' energy: -20.394
flat angles P-C4'-P energy: -15.175
tors. eta vs tors. theta energy: -16.641
Dist. restrs. and SS energy: -36.000 (S_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: 388
Temperature: 1.350000
Total energy: -253.821134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.821134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.821134 (E_RNA)
where:
Base-Base interactions energy: -136.441
where: short stacking energy: -57.557
Base-Backbone interact. energy: -0.768
local terms energy: -80.611927
where:
bonds (distance) C4'-P energy: -19.763
bonds (distance) P-C4' energy: -16.462
flat angles C4'-P-C4' energy: -19.221
flat angles P-C4'-P energy: -7.993
tors. eta vs tors. theta energy: -17.173
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -417.063798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.063798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.663798 (E_RNA)
where:
Base-Base interactions energy: -250.132
where: short stacking energy: -101.557
Base-Backbone interact. energy: 0.604
local terms energy: -117.135351
where:
bonds (distance) C4'-P energy: -21.046
bonds (distance) P-C4' energy: -23.318
flat angles C4'-P-C4' energy: -24.021
flat angles P-C4'-P energy: -20.051
tors. eta vs tors. theta energy: -28.700
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -424.659104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.659104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.259104 (E_RNA)
where:
Base-Base interactions energy: -262.535
where: short stacking energy: -96.194
Base-Backbone interact. energy: -0.468
local terms energy: -111.255212
where:
bonds (distance) C4'-P energy: -24.831
bonds (distance) P-C4' energy: -21.273
flat angles C4'-P-C4' energy: -22.349
flat angles P-C4'-P energy: -17.700
tors. eta vs tors. theta energy: -25.102
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -401.764839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.764839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.164839 (E_RNA)
where:
Base-Base interactions energy: -242.660
where: short stacking energy: -101.051
Base-Backbone interact. energy: -0.303
local terms energy: -110.201984
where:
bonds (distance) C4'-P energy: -20.281
bonds (distance) P-C4' energy: -23.017
flat angles C4'-P-C4' energy: -18.904
flat angles P-C4'-P energy: -18.390
tors. eta vs tors. theta energy: -29.611
Dist. restrs. and SS energy: -48.600 (S_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: 389
Temperature: 1.050000
Total energy: -398.635251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.635251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.235251 (E_RNA)
where:
Base-Base interactions energy: -239.705
where: short stacking energy: -92.259
Base-Backbone interact. energy: -0.392
local terms energy: -108.137619
where:
bonds (distance) C4'-P energy: -19.779
bonds (distance) P-C4' energy: -25.845
flat angles C4'-P-C4' energy: -20.797
flat angles P-C4'-P energy: -15.908
tors. eta vs tors. theta energy: -25.807
Dist. restrs. and SS energy: -50.400 (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: 389
Temperature: 1.100000
Total energy: -350.009260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.009260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.409260 (E_RNA)
where:
Base-Base interactions energy: -217.489
where: short stacking energy: -76.456
Base-Backbone interact. energy: 1.056
local terms energy: -84.976798
where:
bonds (distance) C4'-P energy: -15.217
bonds (distance) P-C4' energy: -19.600
flat angles C4'-P-C4' energy: -20.906
flat angles P-C4'-P energy: -12.130
tors. eta vs tors. theta energy: -17.125
Dist. restrs. and SS energy: -48.600 (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: 6
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -299.727090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.727090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.527090 (E_RNA)
where:
Base-Base interactions energy: -169.344
where: short stacking energy: -84.834
Base-Backbone interact. energy: 1.832
local terms energy: -98.015167
where:
bonds (distance) C4'-P energy: -21.291
bonds (distance) P-C4' energy: -19.501
flat angles C4'-P-C4' energy: -23.177
flat angles P-C4'-P energy: -11.880
tors. eta vs tors. theta energy: -22.166
Dist. restrs. and SS energy: -34.200 (S_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: 389
Temperature: 1.200000
Total energy: -292.293803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.293803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.093803 (E_RNA)
where:
Base-Base interactions energy: -163.019
where: short stacking energy: -73.407
Base-Backbone interact. energy: -0.092
local terms energy: -94.983318
where:
bonds (distance) C4'-P energy: -23.260
bonds (distance) P-C4' energy: -20.018
flat angles C4'-P-C4' energy: -15.149
flat angles P-C4'-P energy: -14.989
tors. eta vs tors. theta energy: -21.567
Dist. restrs. and SS energy: -34.200 (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: 9
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -292.910345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.910345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.910345 (E_RNA)
where:
Base-Base interactions energy: -172.094
where: short stacking energy: -75.466
Base-Backbone interact. energy: 2.466
local terms energy: -87.282306
where:
bonds (distance) C4'-P energy: -15.387
bonds (distance) P-C4' energy: -18.790
flat angles C4'-P-C4' energy: -23.678
flat angles P-C4'-P energy: -15.412
tors. eta vs tors. theta energy: -14.016
Dist. restrs. and SS energy: -36.000 (S_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: -265.740388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.740388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.740388 (E_RNA)
where:
Base-Base interactions energy: -148.031
where: short stacking energy: -58.687
Base-Backbone interact. energy: 4.309
local terms energy: -86.018875
where:
bonds (distance) C4'-P energy: -18.025
bonds (distance) P-C4' energy: -23.732
flat angles C4'-P-C4' energy: -19.088
flat angles P-C4'-P energy: -9.657
tors. eta vs tors. theta energy: -15.517
Dist. restrs. and SS energy: -36.000 (S_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: 389
Temperature: 1.350000
Total energy: -269.701904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.701904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.701904 (E_RNA)
where:
Base-Base interactions energy: -158.238
where: short stacking energy: -68.203
Base-Backbone interact. energy: 2.441
local terms energy: -77.904866
where:
bonds (distance) C4'-P energy: -19.702
bonds (distance) P-C4' energy: -16.976
flat angles C4'-P-C4' energy: -21.877
flat angles P-C4'-P energy: -12.122
tors. eta vs tors. theta energy: -7.228
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -417.899765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.899765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.499765 (E_RNA)
where:
Base-Base interactions energy: -249.906
where: short stacking energy: -97.327
Base-Backbone interact. energy: -0.285
local terms energy: -117.308790
where:
bonds (distance) C4'-P energy: -19.047
bonds (distance) P-C4' energy: -21.549
flat angles C4'-P-C4' energy: -25.472
flat angles P-C4'-P energy: -17.808
tors. eta vs tors. theta energy: -33.433
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -411.482569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.482569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.082569 (E_RNA)
where:
Base-Base interactions energy: -261.743
where: short stacking energy: -103.668
Base-Backbone interact. energy: -0.590
local terms energy: -98.749617
where:
bonds (distance) C4'-P energy: -17.131
bonds (distance) P-C4' energy: -21.127
flat angles C4'-P-C4' energy: -21.799
flat angles P-C4'-P energy: -13.405
tors. eta vs tors. theta energy: -25.287
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -407.399577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.399577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.799577 (E_RNA)
where:
Base-Base interactions energy: -245.860
where: short stacking energy: -91.096
Base-Backbone interact. energy: -0.608
local terms energy: -112.331531
where:
bonds (distance) C4'-P energy: -21.150
bonds (distance) P-C4' energy: -19.112
flat angles C4'-P-C4' energy: -23.442
flat angles P-C4'-P energy: -15.760
tors. eta vs tors. theta energy: -32.868
Dist. restrs. and SS energy: -48.600 (S_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: 390
Temperature: 1.050000
Total energy: -381.266972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.266972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.866972 (E_RNA)
where:
Base-Base interactions energy: -231.427
where: short stacking energy: -88.168
Base-Backbone interact. energy: -0.814
local terms energy: -98.626568
where:
bonds (distance) C4'-P energy: -20.856
bonds (distance) P-C4' energy: -18.361
flat angles C4'-P-C4' energy: -19.661
flat angles P-C4'-P energy: -12.320
tors. eta vs tors. theta energy: -27.429
Dist. restrs. and SS energy: -50.400 (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: 6
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -300.132467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.132467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.132467 (E_RNA)
where:
Base-Base interactions energy: -163.694
where: short stacking energy: -71.160
Base-Backbone interact. energy: 0.385
local terms energy: -100.822594
where:
bonds (distance) C4'-P energy: -20.152
bonds (distance) P-C4' energy: -23.753
flat angles C4'-P-C4' energy: -19.273
flat angles P-C4'-P energy: -16.857
tors. eta vs tors. theta energy: -20.788
Dist. restrs. and SS energy: -36.000 (S_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: 390
Temperature: 1.150000
Total energy: -329.555423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.555423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.955423 (E_RNA)
where:
Base-Base interactions energy: -183.900
where: short stacking energy: -80.164
Base-Backbone interact. energy: -0.395
local terms energy: -96.660627
where:
bonds (distance) C4'-P energy: -21.621
bonds (distance) P-C4' energy: -23.640
flat angles C4'-P-C4' energy: -20.100
flat angles P-C4'-P energy: -14.260
tors. eta vs tors. theta energy: -17.039
Dist. restrs. and SS energy: -48.600 (S_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: 390
Temperature: 1.200000
Total energy: -273.018281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.018281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.818281 (E_RNA)
where:
Base-Base interactions energy: -140.928
where: short stacking energy: -67.885
Base-Backbone interact. energy: -0.140
local terms energy: -97.749686
where:
bonds (distance) C4'-P energy: -14.096
bonds (distance) P-C4' energy: -20.363
flat angles C4'-P-C4' energy: -25.023
flat angles P-C4'-P energy: -18.266
tors. eta vs tors. theta energy: -20.002
Dist. restrs. and SS energy: -34.200 (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: 9
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -262.996134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.996134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.996134 (E_RNA)
where:
Base-Base interactions energy: -147.939
where: short stacking energy: -61.898
Base-Backbone interact. energy: -0.273
local terms energy: -78.784011
where:
bonds (distance) C4'-P energy: -15.577
bonds (distance) P-C4' energy: -15.522
flat angles C4'-P-C4' energy: -20.847
flat angles P-C4'-P energy: -16.415
tors. eta vs tors. theta energy: -10.422
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -276.846725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.846725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.846725 (E_RNA)
where:
Base-Base interactions energy: -148.349
where: short stacking energy: -72.033
Base-Backbone interact. energy: -0.400
local terms energy: -92.098378
where:
bonds (distance) C4'-P energy: -16.956
bonds (distance) P-C4' energy: -20.580
flat angles C4'-P-C4' energy: -15.896
flat angles P-C4'-P energy: -19.990
tors. eta vs tors. theta energy: -18.676
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. 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: -251.125966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.125966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.125966 (E_RNA)
where:
Base-Base interactions energy: -131.740
where: short stacking energy: -53.573
Base-Backbone interact. energy: 0.156
local terms energy: -83.541045
where:
bonds (distance) C4'-P energy: -23.303
bonds (distance) P-C4' energy: -22.098
flat angles C4'-P-C4' energy: -17.850
flat angles P-C4'-P energy: -14.714
tors. eta vs tors. theta energy: -5.577
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -413.726862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.726862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.926862 (E_RNA)
where:
Base-Base interactions energy: -252.717
where: short stacking energy: -101.618
Base-Backbone interact. energy: -0.944
local terms energy: -113.266634
where:
bonds (distance) C4'-P energy: -21.871
bonds (distance) P-C4' energy: -21.859
flat angles C4'-P-C4' energy: -22.176
flat angles P-C4'-P energy: -15.198
tors. eta vs tors. theta energy: -32.162
Dist. restrs. and SS energy: -46.800 (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: 1
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -407.311963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.311963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.911963 (E_RNA)
where:
Base-Base interactions energy: -255.612
where: short stacking energy: -88.125
Base-Backbone interact. energy: 0.105
local terms energy: -101.404538
where:
bonds (distance) C4'-P energy: -21.907
bonds (distance) P-C4' energy: -27.750
flat angles C4'-P-C4' energy: -18.918
flat angles P-C4'-P energy: -11.388
tors. eta vs tors. theta energy: -21.441
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -406.038437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.038437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.438437 (E_RNA)
where:
Base-Base interactions energy: -243.485
where: short stacking energy: -92.620
Base-Backbone interact. energy: -0.808
local terms energy: -113.145748
where:
bonds (distance) C4'-P energy: -22.388
bonds (distance) P-C4' energy: -22.065
flat angles C4'-P-C4' energy: -26.730
flat angles P-C4'-P energy: -17.437
tors. eta vs tors. theta energy: -24.525
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -388.666752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.666752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.866752 (E_RNA)
where:
Base-Base interactions energy: -228.295
where: short stacking energy: -90.913
Base-Backbone interact. energy: -1.001
local terms energy: -112.571255
where:
bonds (distance) C4'-P energy: -21.468
bonds (distance) P-C4' energy: -25.849
flat angles C4'-P-C4' energy: -20.612
flat angles P-C4'-P energy: -15.463
tors. eta vs tors. theta energy: -29.180
Dist. restrs. and SS energy: -46.800 (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: 6
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -287.025633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.025633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.025633 (E_RNA)
where:
Base-Base interactions energy: -156.333
where: short stacking energy: -72.319
Base-Backbone interact. energy: 0.898
local terms energy: -95.589884
where:
bonds (distance) C4'-P energy: -25.060
bonds (distance) P-C4' energy: -21.286
flat angles C4'-P-C4' energy: -22.965
flat angles P-C4'-P energy: -13.901
tors. eta vs tors. theta energy: -12.379
Dist. restrs. and SS energy: -36.000 (S_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: 391
Temperature: 1.150000
Total energy: -313.175117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.175117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.375117 (E_RNA)
where:
Base-Base interactions energy: -182.756
where: short stacking energy: -70.541
Base-Backbone interact. energy: -0.722
local terms energy: -82.896638
where:
bonds (distance) C4'-P energy: -15.753
bonds (distance) P-C4' energy: -20.278
flat angles C4'-P-C4' energy: -21.179
flat angles P-C4'-P energy: -13.687
tors. eta vs tors. theta energy: -12.001
Dist. restrs. and SS energy: -46.800 (S_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: 391
Temperature: 1.200000
Total energy: -288.413363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.413363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.413363 (E_RNA)
where:
Base-Base interactions energy: -156.138
where: short stacking energy: -72.613
Base-Backbone interact. energy: -0.703
local terms energy: -95.572103
where:
bonds (distance) C4'-P energy: -15.590
bonds (distance) P-C4' energy: -21.804
flat angles C4'-P-C4' energy: -24.410
flat angles P-C4'-P energy: -17.074
tors. eta vs tors. theta energy: -16.694
Dist. restrs. and SS energy: -36.000 (S_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: 391
Temperature: 1.250000
Total energy: -271.510971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.510971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.510971 (E_RNA)
where:
Base-Base interactions energy: -144.882
where: short stacking energy: -57.423
Base-Backbone interact. energy: -0.832
local terms energy: -89.796955
where:
bonds (distance) C4'-P energy: -24.048
bonds (distance) P-C4' energy: -24.314
flat angles C4'-P-C4' energy: -17.297
flat angles P-C4'-P energy: -15.409
tors. eta vs tors. theta energy: -8.729
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -260.912311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.912311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.312311 (E_RNA)
where:
Base-Base interactions energy: -142.290
where: short stacking energy: -75.530
Base-Backbone interact. energy: -0.323
local terms energy: -87.699187
where:
bonds (distance) C4'-P energy: -22.771
bonds (distance) P-C4' energy: -21.844
flat angles C4'-P-C4' energy: -15.217
flat angles P-C4'-P energy: -14.221
tors. eta vs tors. theta energy: -13.647
Dist. restrs. and SS energy: -30.600 (S_DIST_RNA)
chem. 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: -252.598309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.598309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.398309 (E_RNA)
where:
Base-Base interactions energy: -131.865
where: short stacking energy: -52.620
Base-Backbone interact. energy: -0.107
local terms energy: -86.426831
where:
bonds (distance) C4'-P energy: -19.844
bonds (distance) P-C4' energy: -21.144
flat angles C4'-P-C4' energy: -24.032
flat angles P-C4'-P energy: -11.547
tors. eta vs tors. theta energy: -9.860
Dist. restrs. and SS energy: -34.200 (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: 5
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -417.946930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.946930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.546930 (E_RNA)
where:
Base-Base interactions energy: -249.602
where: short stacking energy: -101.747
Base-Backbone interact. energy: -0.667
local terms energy: -117.277766
where:
bonds (distance) C4'-P energy: -20.297
bonds (distance) P-C4' energy: -26.629
flat angles C4'-P-C4' energy: -25.998
flat angles P-C4'-P energy: -16.140
tors. eta vs tors. theta energy: -28.215
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -421.674469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.674469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.274469 (E_RNA)
where:
Base-Base interactions energy: -260.711
where: short stacking energy: -107.869
Base-Backbone interact. energy: 1.054
local terms energy: -111.617522
where:
bonds (distance) C4'-P energy: -19.492
bonds (distance) P-C4' energy: -22.163
flat angles C4'-P-C4' energy: -23.245
flat angles P-C4'-P energy: -18.118
tors. eta vs tors. theta energy: -28.599
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -400.823089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.823089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.423089 (E_RNA)
where:
Base-Base interactions energy: -239.319
where: short stacking energy: -96.954
Base-Backbone interact. energy: 0.677
local terms energy: -111.780897
where:
bonds (distance) C4'-P energy: -20.100
bonds (distance) P-C4' energy: -22.446
flat angles C4'-P-C4' energy: -22.108
flat angles P-C4'-P energy: -13.265
tors. eta vs tors. theta energy: -33.863
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -388.665530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.665530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.065530 (E_RNA)
where:
Base-Base interactions energy: -237.808
where: short stacking energy: -97.294
Base-Backbone interact. energy: -0.686
local terms energy: -101.571507
where:
bonds (distance) C4'-P energy: -14.166
bonds (distance) P-C4' energy: -23.815
flat angles C4'-P-C4' energy: -21.195
flat angles P-C4'-P energy: -14.938
tors. eta vs tors. theta energy: -27.457
Dist. restrs. and SS energy: -48.600 (S_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: 392
Temperature: 1.100000
Total energy: -320.800504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.800504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.400504 (E_RNA)
where:
Base-Base interactions energy: -195.365
where: short stacking energy: -73.380
Base-Backbone interact. energy: 0.401
local terms energy: -75.435918
where:
bonds (distance) C4'-P energy: -15.448
bonds (distance) P-C4' energy: -17.532
flat angles C4'-P-C4' energy: -15.249
flat angles P-C4'-P energy: -11.071
tors. eta vs tors. theta energy: -16.136
Dist. restrs. and SS energy: -50.400 (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: 6
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -287.437037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.437037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.437037 (E_RNA)
where:
Base-Base interactions energy: -156.723
where: short stacking energy: -74.484
Base-Backbone interact. energy: -0.593
local terms energy: -94.121164
where:
bonds (distance) C4'-P energy: -18.922
bonds (distance) P-C4' energy: -23.700
flat angles C4'-P-C4' energy: -25.618
flat angles P-C4'-P energy: -11.551
tors. eta vs tors. theta energy: -14.330
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -302.734539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.734539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.534539 (E_RNA)
where:
Base-Base interactions energy: -165.290
where: short stacking energy: -84.512
Base-Backbone interact. energy: -0.094
local terms energy: -103.150287
where:
bonds (distance) C4'-P energy: -21.345
bonds (distance) P-C4' energy: -23.538
flat angles C4'-P-C4' energy: -18.791
flat angles P-C4'-P energy: -17.045
tors. eta vs tors. theta energy: -22.432
Dist. restrs. and SS energy: -34.200 (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: 2
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -285.675909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.675909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.475909 (E_RNA)
where:
Base-Base interactions energy: -163.072
where: short stacking energy: -69.526
Base-Backbone interact. energy: -0.191
local terms energy: -88.212825
where:
bonds (distance) C4'-P energy: -18.488
bonds (distance) P-C4' energy: -19.473
flat angles C4'-P-C4' energy: -15.715
flat angles P-C4'-P energy: -18.455
tors. eta vs tors. theta energy: -16.081
Dist. restrs. and SS energy: -34.200 (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: 4
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -255.017195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.017195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.817195 (E_RNA)
where:
Base-Base interactions energy: -140.417
where: short stacking energy: -71.372
Base-Backbone interact. energy: 1.435
local terms energy: -81.836127
where:
bonds (distance) C4'-P energy: -14.025
bonds (distance) P-C4' energy: -16.256
flat angles C4'-P-C4' energy: -23.790
flat angles P-C4'-P energy: -10.835
tors. eta vs tors. theta energy: -16.929
Dist. restrs. and SS energy: -34.200 (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: 9
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -252.665687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.665687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.665687 (E_RNA)
where:
Base-Base interactions energy: -145.060
where: short stacking energy: -50.737
Base-Backbone interact. energy: 0.548
local terms energy: -72.152900
where:
bonds (distance) C4'-P energy: -21.348
bonds (distance) P-C4' energy: -19.637
flat angles C4'-P-C4' energy: -19.556
flat angles P-C4'-P energy: -8.973
tors. eta vs tors. theta energy: -2.638
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -424.996394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.996394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.596394 (E_RNA)
where:
Base-Base interactions energy: -263.166
where: short stacking energy: -104.734
Base-Backbone interact. energy: -0.491
local terms energy: -110.939269
where:
bonds (distance) C4'-P energy: -20.185
bonds (distance) P-C4' energy: -22.371
flat angles C4'-P-C4' energy: -25.850
flat angles P-C4'-P energy: -11.445
tors. eta vs tors. theta energy: -31.088
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -408.344343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.344343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.744343 (E_RNA)
where:
Base-Base interactions energy: -248.576
where: short stacking energy: -103.484
Base-Backbone interact. energy: 0.410
local terms energy: -111.577975
where:
bonds (distance) C4'-P energy: -23.233
bonds (distance) P-C4' energy: -22.742
flat angles C4'-P-C4' energy: -25.020
flat angles P-C4'-P energy: -15.316
tors. eta vs tors. theta energy: -25.267
Dist. restrs. and SS energy: -48.600 (S_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: 393
Temperature: 1.000000
Total energy: -385.444832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.444832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.844832 (E_RNA)
where:
Base-Base interactions energy: -230.233
where: short stacking energy: -89.260
Base-Backbone interact. energy: -0.469
local terms energy: -106.142998
where:
bonds (distance) C4'-P energy: -22.221
bonds (distance) P-C4' energy: -24.623
flat angles C4'-P-C4' energy: -20.571
flat angles P-C4'-P energy: -18.219
tors. eta vs tors. theta energy: -20.509
Dist. restrs. and SS energy: -48.600 (S_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: 393
Temperature: 1.050000
Total energy: -395.461476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.461476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.061476 (E_RNA)
where:
Base-Base interactions energy: -243.949
where: short stacking energy: -94.547
Base-Backbone interact. energy: -0.591
local terms energy: -100.520781
where:
bonds (distance) C4'-P energy: -21.046
bonds (distance) P-C4' energy: -20.188
flat angles C4'-P-C4' energy: -20.110
flat angles P-C4'-P energy: -14.376
tors. eta vs tors. theta energy: -24.801
Dist. restrs. and SS energy: -50.400 (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: 393
Temperature: 1.100000
Total energy: -322.736589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.736589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.336589 (E_RNA)
where:
Base-Base interactions energy: -181.722
where: short stacking energy: -77.958
Base-Backbone interact. energy: 1.427
local terms energy: -92.041554
where:
bonds (distance) C4'-P energy: -22.143
bonds (distance) P-C4' energy: -21.188
flat angles C4'-P-C4' energy: -20.494
flat angles P-C4'-P energy: -11.654
tors. eta vs tors. theta energy: -16.563
Dist. restrs. and SS energy: -50.400 (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: 3
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -292.056400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.056400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.056400 (E_RNA)
where:
Base-Base interactions energy: -164.261
where: short stacking energy: -72.868
Base-Backbone interact. energy: -0.221
local terms energy: -91.574569
where:
bonds (distance) C4'-P energy: -19.432
bonds (distance) P-C4' energy: -21.276
flat angles C4'-P-C4' energy: -24.249
flat angles P-C4'-P energy: -14.146
tors. eta vs tors. theta energy: -12.471
Dist. restrs. and SS energy: -36.000 (S_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: 393
Temperature: 1.200000
Total energy: -273.136548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.136548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.136548 (E_RNA)
where:
Base-Base interactions energy: -147.770
where: short stacking energy: -75.102
Base-Backbone interact. energy: -0.557
local terms energy: -88.809629
where:
bonds (distance) C4'-P energy: -15.414
bonds (distance) P-C4' energy: -26.945
flat angles C4'-P-C4' energy: -18.630
flat angles P-C4'-P energy: -12.398
tors. eta vs tors. theta energy: -15.422
Dist. restrs. and SS energy: -36.000 (S_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: -258.579336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.579336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.579336 (E_RNA)
where:
Base-Base interactions energy: -135.832
where: short stacking energy: -63.409
Base-Backbone interact. energy: -0.619
local terms energy: -86.128541
where:
bonds (distance) C4'-P energy: -14.752
bonds (distance) P-C4' energy: -21.704
flat angles C4'-P-C4' energy: -22.007
flat angles P-C4'-P energy: -14.017
tors. eta vs tors. theta energy: -13.649
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -249.770772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.770772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.770772 (E_RNA)
where:
Base-Base interactions energy: -140.550
where: short stacking energy: -64.731
Base-Backbone interact. energy: -0.247
local terms energy: -72.974055
where:
bonds (distance) C4'-P energy: -24.749
bonds (distance) P-C4' energy: -19.738
flat angles C4'-P-C4' energy: -15.539
flat angles P-C4'-P energy: -7.522
tors. eta vs tors. theta energy: -5.427
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -236.918723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.918723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.718723 (E_RNA)
where:
Base-Base interactions energy: -122.918
where: short stacking energy: -55.672
Base-Backbone interact. energy: -0.620
local terms energy: -79.179840
where:
bonds (distance) C4'-P energy: -20.280
bonds (distance) P-C4' energy: -21.418
flat angles C4'-P-C4' energy: -19.670
flat angles P-C4'-P energy: -12.758
tors. eta vs tors. theta energy: -5.053
Dist. restrs. and SS energy: -34.200 (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: 394
Temperature: 0.900000
Total energy: -417.071289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.071289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.671289 (E_RNA)
where:
Base-Base interactions energy: -254.572
where: short stacking energy: -107.843
Base-Backbone interact. energy: -0.357
local terms energy: -111.741916
where:
bonds (distance) C4'-P energy: -22.798
bonds (distance) P-C4' energy: -22.173
flat angles C4'-P-C4' energy: -21.963
flat angles P-C4'-P energy: -15.891
tors. eta vs tors. theta energy: -28.916
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -415.218769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.218769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.818769 (E_RNA)
where:
Base-Base interactions energy: -252.682
where: short stacking energy: -94.958
Base-Backbone interact. energy: -0.790
local terms energy: -111.347237
where:
bonds (distance) C4'-P energy: -23.781
bonds (distance) P-C4' energy: -25.072
flat angles C4'-P-C4' energy: -21.305
flat angles P-C4'-P energy: -15.544
tors. eta vs tors. theta energy: -25.644
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -419.823008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.823008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.423008 (E_RNA)
where:
Base-Base interactions energy: -258.671
where: short stacking energy: -99.287
Base-Backbone interact. energy: -1.743
local terms energy: -109.008763
where:
bonds (distance) C4'-P energy: -21.606
bonds (distance) P-C4' energy: -19.446
flat angles C4'-P-C4' energy: -23.195
flat angles P-C4'-P energy: -17.017
tors. eta vs tors. theta energy: -27.745
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -378.090450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.090450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.690450 (E_RNA)
where:
Base-Base interactions energy: -227.178
where: short stacking energy: -75.763
Base-Backbone interact. energy: -0.642
local terms energy: -99.870889
where:
bonds (distance) C4'-P energy: -20.422
bonds (distance) P-C4' energy: -21.665
flat angles C4'-P-C4' energy: -17.667
flat angles P-C4'-P energy: -18.052
tors. eta vs tors. theta energy: -22.066
Dist. restrs. and SS energy: -50.400 (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: 394
Temperature: 1.100000
Total energy: -333.041451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.041451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.241451 (E_RNA)
where:
Base-Base interactions energy: -194.379
where: short stacking energy: -80.474
Base-Backbone interact. energy: -0.086
local terms energy: -91.777190
where:
bonds (distance) C4'-P energy: -11.530
bonds (distance) P-C4' energy: -22.138
flat angles C4'-P-C4' energy: -23.071
flat angles P-C4'-P energy: -17.358
tors. eta vs tors. theta energy: -17.680
Dist. restrs. and SS energy: -46.800 (S_DIST_RNA)
chem. 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: -290.445499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.445499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.445499 (E_RNA)
where:
Base-Base interactions energy: -157.149
where: short stacking energy: -74.784
Base-Backbone interact. energy: -0.478
local terms energy: -96.817873
where:
bonds (distance) C4'-P energy: -23.038
bonds (distance) P-C4' energy: -19.710
flat angles C4'-P-C4' energy: -22.217
flat angles P-C4'-P energy: -15.326
tors. eta vs tors. theta energy: -16.527
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -289.504791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.504791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.504791 (E_RNA)
where:
Base-Base interactions energy: -157.771
where: short stacking energy: -79.666
Base-Backbone interact. energy: -0.101
local terms energy: -95.632968
where:
bonds (distance) C4'-P energy: -14.366
bonds (distance) P-C4' energy: -22.074
flat angles C4'-P-C4' energy: -20.015
flat angles P-C4'-P energy: -16.115
tors. eta vs tors. theta energy: -23.063
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -259.577416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.577416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.577416 (E_RNA)
where:
Base-Base interactions energy: -140.775
where: short stacking energy: -69.569
Base-Backbone interact. energy: -0.103
local terms energy: -82.699207
where:
bonds (distance) C4'-P energy: -16.923
bonds (distance) P-C4' energy: -21.190
flat angles C4'-P-C4' energy: -20.469
flat angles P-C4'-P energy: -13.884
tors. eta vs tors. theta energy: -10.233
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -237.136043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.136043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.736043 (E_RNA)
where:
Base-Base interactions energy: -116.229
where: short stacking energy: -55.581
Base-Backbone interact. energy: -0.097
local terms energy: -88.410114
where:
bonds (distance) C4'-P energy: -17.177
bonds (distance) P-C4' energy: -22.293
flat angles C4'-P-C4' energy: -19.309
flat angles P-C4'-P energy: -15.762
tors. eta vs tors. theta energy: -13.870
Dist. restrs. and SS energy: -32.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -248.091354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.091354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.091354 (E_RNA)
where:
Base-Base interactions energy: -132.863
where: short stacking energy: -55.186
Base-Backbone interact. energy: -0.518
local terms energy: -78.710141
where:
bonds (distance) C4'-P energy: -18.230
bonds (distance) P-C4' energy: -13.937
flat angles C4'-P-C4' energy: -22.475
flat angles P-C4'-P energy: -12.730
tors. eta vs tors. theta energy: -11.337
Dist. restrs. and SS energy: -36.000 (S_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: 395
Temperature: 0.900000
Total energy: -422.234723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.234723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.834723 (E_RNA)
where:
Base-Base interactions energy: -256.792
where: short stacking energy: -104.655
Base-Backbone interact. energy: -0.453
local terms energy: -114.590276
where:
bonds (distance) C4'-P energy: -16.372
bonds (distance) P-C4' energy: -26.784
flat angles C4'-P-C4' energy: -23.163
flat angles P-C4'-P energy: -20.889
tors. eta vs tors. theta energy: -27.382
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -416.424762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.424762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.024762 (E_RNA)
where:
Base-Base interactions energy: -243.848
where: short stacking energy: -101.027
Base-Backbone interact. energy: -0.910
local terms energy: -121.267055
where:
bonds (distance) C4'-P energy: -23.849
bonds (distance) P-C4' energy: -23.146
flat angles C4'-P-C4' energy: -23.294
flat angles P-C4'-P energy: -17.664
tors. eta vs tors. theta energy: -33.313
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -404.808332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.808332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.408332 (E_RNA)
where:
Base-Base interactions energy: -256.693
where: short stacking energy: -101.749
Base-Backbone interact. energy: 1.115
local terms energy: -98.830334
where:
bonds (distance) C4'-P energy: -16.832
bonds (distance) P-C4' energy: -14.098
flat angles C4'-P-C4' energy: -24.172
flat angles P-C4'-P energy: -17.152
tors. eta vs tors. theta energy: -26.577
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -386.859772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.859772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.459772 (E_RNA)
where:
Base-Base interactions energy: -231.161
where: short stacking energy: -86.520
Base-Backbone interact. energy: -1.071
local terms energy: -104.227854
where:
bonds (distance) C4'-P energy: -23.770
bonds (distance) P-C4' energy: -19.284
flat angles C4'-P-C4' energy: -20.093
flat angles P-C4'-P energy: -18.270
tors. eta vs tors. theta energy: -22.811
Dist. restrs. and SS energy: -50.400 (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: 395
Temperature: 1.100000
Total energy: -306.592814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.592814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.192814 (E_RNA)
where:
Base-Base interactions energy: -163.111
where: short stacking energy: -72.814
Base-Backbone interact. energy: -0.345
local terms energy: -92.735986
where:
bonds (distance) C4'-P energy: -24.190
bonds (distance) P-C4' energy: -14.984
flat angles C4'-P-C4' energy: -19.936
flat angles P-C4'-P energy: -17.292
tors. eta vs tors. theta energy: -16.333
Dist. restrs. and SS energy: -50.400 (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: 3
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -289.800496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.800496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.600496 (E_RNA)
where:
Base-Base interactions energy: -166.256
where: short stacking energy: -90.817
Base-Backbone interact. energy: -0.116
local terms energy: -89.228295
where:
bonds (distance) C4'-P energy: -23.315
bonds (distance) P-C4' energy: -12.237
flat angles C4'-P-C4' energy: -23.139
flat angles P-C4'-P energy: -12.455
tors. eta vs tors. theta energy: -18.082
Dist. restrs. and SS energy: -34.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -267.571979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.571979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.571979 (E_RNA)
where:
Base-Base interactions energy: -148.072
where: short stacking energy: -67.117
Base-Backbone interact. energy: -0.194
local terms energy: -83.305226
where:
bonds (distance) C4'-P energy: -19.895
bonds (distance) P-C4' energy: -24.056
flat angles C4'-P-C4' energy: -14.394
flat angles P-C4'-P energy: -17.547
tors. eta vs tors. theta energy: -7.413
Dist. restrs. and SS energy: -36.000 (S_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: 395
Temperature: 1.250000
Total energy: -254.853432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.853432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.853432 (E_RNA)
where:
Base-Base interactions energy: -132.464
where: short stacking energy: -51.344
Base-Backbone interact. energy: -0.044
local terms energy: -86.344694
where:
bonds (distance) C4'-P energy: -20.372
bonds (distance) P-C4' energy: -20.471
flat angles C4'-P-C4' energy: -19.380
flat angles P-C4'-P energy: -13.443
tors. eta vs tors. theta energy: -12.679
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -256.546392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.546392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.546392 (E_RNA)
where:
Base-Base interactions energy: -138.859
where: short stacking energy: -56.801
Base-Backbone interact. energy: 0.827
local terms energy: -82.514228
where:
bonds (distance) C4'-P energy: -13.977
bonds (distance) P-C4' energy: -25.212
flat angles C4'-P-C4' energy: -20.252
flat angles P-C4'-P energy: -17.590
tors. eta vs tors. theta energy: -5.483
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -247.462206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.462206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.462206 (E_RNA)
where:
Base-Base interactions energy: -128.265
where: short stacking energy: -65.276
Base-Backbone interact. energy: -0.428
local terms energy: -82.768965
where:
bonds (distance) C4'-P energy: -20.392
bonds (distance) P-C4' energy: -19.315
flat angles C4'-P-C4' energy: -19.876
flat angles P-C4'-P energy: -9.969
tors. eta vs tors. theta energy: -13.218
Dist. restrs. and SS energy: -36.000 (S_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: -420.004688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.004688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.604688 (E_RNA)
where:
Base-Base interactions energy: -251.349
where: short stacking energy: -101.890
Base-Backbone interact. energy: -0.801
local terms energy: -117.455616
where:
bonds (distance) C4'-P energy: -21.481
bonds (distance) P-C4' energy: -23.612
flat angles C4'-P-C4' energy: -27.656
flat angles P-C4'-P energy: -17.240
tors. eta vs tors. theta energy: -27.466
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -409.160237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.160237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.760237 (E_RNA)
where:
Base-Base interactions energy: -246.978
where: short stacking energy: -96.918
Base-Backbone interact. energy: -1.035
local terms energy: -110.747986
where:
bonds (distance) C4'-P energy: -25.757
bonds (distance) P-C4' energy: -23.593
flat angles C4'-P-C4' energy: -18.954
flat angles P-C4'-P energy: -9.954
tors. eta vs tors. theta energy: -32.490
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -408.002622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.002622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.602622 (E_RNA)
where:
Base-Base interactions energy: -259.262
where: short stacking energy: -105.850
Base-Backbone interact. energy: -0.618
local terms energy: -97.721882
where:
bonds (distance) C4'-P energy: -20.306
bonds (distance) P-C4' energy: -23.749
flat angles C4'-P-C4' energy: -17.598
flat angles P-C4'-P energy: -11.140
tors. eta vs tors. theta energy: -24.929
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -382.073558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.073558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.673558 (E_RNA)
where:
Base-Base interactions energy: -235.196
where: short stacking energy: -83.625
Base-Backbone interact. energy: -0.508
local terms energy: -95.969226
where:
bonds (distance) C4'-P energy: -18.164
bonds (distance) P-C4' energy: -17.081
flat angles C4'-P-C4' energy: -26.971
flat angles P-C4'-P energy: -15.030
tors. eta vs tors. theta energy: -18.723
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -317.862531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.862531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.862531 (E_RNA)
where:
Base-Base interactions energy: -179.071
where: short stacking energy: -80.556
Base-Backbone interact. energy: 0.041
local terms energy: -102.832821
where:
bonds (distance) C4'-P energy: -22.930
bonds (distance) P-C4' energy: -23.239
flat angles C4'-P-C4' energy: -23.249
flat angles P-C4'-P energy: -17.184
tors. eta vs tors. theta energy: -16.231
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -322.406703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.406703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.206703 (E_RNA)
where:
Base-Base interactions energy: -171.362
where: short stacking energy: -79.050
Base-Backbone interact. energy: -0.315
local terms energy: -107.529392
where:
bonds (distance) C4'-P energy: -21.510
bonds (distance) P-C4' energy: -26.034
flat angles C4'-P-C4' energy: -24.131
flat angles P-C4'-P energy: -18.629
tors. eta vs tors. theta energy: -17.225
Dist. restrs. and SS energy: -43.200 (S_DIST_RNA)
chem. 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: -286.683653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.683653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.683653 (E_RNA)
where:
Base-Base interactions energy: -157.101
where: short stacking energy: -68.255
Base-Backbone interact. energy: -0.171
local terms energy: -93.411562
where:
bonds (distance) C4'-P energy: -20.840
bonds (distance) P-C4' energy: -18.222
flat angles C4'-P-C4' energy: -22.626
flat angles P-C4'-P energy: -14.100
tors. eta vs tors. theta energy: -17.624
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -273.737688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.737688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.737688 (E_RNA)
where:
Base-Base interactions energy: -158.359
where: short stacking energy: -64.426
Base-Backbone interact. energy: -2.487
local terms energy: -76.892281
where:
bonds (distance) C4'-P energy: -7.677
bonds (distance) P-C4' energy: -17.956
flat angles C4'-P-C4' energy: -15.415
flat angles P-C4'-P energy: -15.375
tors. eta vs tors. theta energy: -20.469
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -252.197648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.197648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.197648 (E_RNA)
where:
Base-Base interactions energy: -134.235
where: short stacking energy: -65.406
Base-Backbone interact. energy: -0.153
local terms energy: -81.808898
where:
bonds (distance) C4'-P energy: -19.426
bonds (distance) P-C4' energy: -17.836
flat angles C4'-P-C4' energy: -18.993
flat angles P-C4'-P energy: -12.197
tors. eta vs tors. theta energy: -13.357
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -242.182816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.182816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.182816 (E_RNA)
where:
Base-Base interactions energy: -131.511
where: short stacking energy: -57.562
Base-Backbone interact. energy: -0.532
local terms energy: -74.140200
where:
bonds (distance) C4'-P energy: -11.306
bonds (distance) P-C4' energy: -19.035
flat angles C4'-P-C4' energy: -16.626
flat angles P-C4'-P energy: -16.682
tors. eta vs tors. theta energy: -10.491
Dist. restrs. and SS energy: -36.000 (S_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: -419.807384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.807384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.407384 (E_RNA)
where:
Base-Base interactions energy: -254.039
where: short stacking energy: -95.297
Base-Backbone interact. energy: -0.317
local terms energy: -115.051184
where:
bonds (distance) C4'-P energy: -19.675
bonds (distance) P-C4' energy: -25.709
flat angles C4'-P-C4' energy: -23.605
flat angles P-C4'-P energy: -18.138
tors. eta vs tors. theta energy: -27.923
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -402.009154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.009154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.609154 (E_RNA)
where:
Base-Base interactions energy: -239.569
where: short stacking energy: -97.343
Base-Backbone interact. energy: -0.186
local terms energy: -111.854255
where:
bonds (distance) C4'-P energy: -25.336
bonds (distance) P-C4' energy: -20.997
flat angles C4'-P-C4' energy: -22.127
flat angles P-C4'-P energy: -13.460
tors. eta vs tors. theta energy: -29.934
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -390.954498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.954498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.554498 (E_RNA)
where:
Base-Base interactions energy: -231.847
where: short stacking energy: -89.190
Base-Backbone interact. energy: -0.858
local terms energy: -107.850149
where:
bonds (distance) C4'-P energy: -22.640
bonds (distance) P-C4' energy: -21.378
flat angles C4'-P-C4' energy: -18.657
flat angles P-C4'-P energy: -14.958
tors. eta vs tors. theta energy: -30.219
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -369.429253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.429253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.029253 (E_RNA)
where:
Base-Base interactions energy: -222.608
where: short stacking energy: -83.375
Base-Backbone interact. energy: -0.071
local terms energy: -96.350696
where:
bonds (distance) C4'-P energy: -13.981
bonds (distance) P-C4' energy: -26.409
flat angles C4'-P-C4' energy: -19.360
flat angles P-C4'-P energy: -17.785
tors. eta vs tors. theta energy: -18.816
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -305.078035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.078035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.078035 (E_RNA)
where:
Base-Base interactions energy: -174.579
where: short stacking energy: -80.858
Base-Backbone interact. energy: -1.189
local terms energy: -93.309638
where:
bonds (distance) C4'-P energy: -22.118
bonds (distance) P-C4' energy: -20.201
flat angles C4'-P-C4' energy: -17.041
flat angles P-C4'-P energy: -12.679
tors. eta vs tors. theta energy: -21.271
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -332.570242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.570242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.570242 (E_RNA)
where:
Base-Base interactions energy: -194.498
where: short stacking energy: -88.996
Base-Backbone interact. energy: -1.492
local terms energy: -91.579763
where:
bonds (distance) C4'-P energy: -17.131
bonds (distance) P-C4' energy: -23.808
flat angles C4'-P-C4' energy: -20.081
flat angles P-C4'-P energy: -8.797
tors. eta vs tors. theta energy: -21.762
Dist. restrs. and SS energy: -45.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -300.212308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.212308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.212308 (E_RNA)
where:
Base-Base interactions energy: -170.205
where: short stacking energy: -80.502
Base-Backbone interact. energy: -0.199
local terms energy: -93.808627
where:
bonds (distance) C4'-P energy: -16.942
bonds (distance) P-C4' energy: -18.315
flat angles C4'-P-C4' energy: -23.416
flat angles P-C4'-P energy: -13.808
tors. eta vs tors. theta energy: -21.328
Dist. restrs. and SS energy: -36.000 (S_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: 397
Temperature: 1.250000
Total energy: -267.347703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.347703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.347703 (E_RNA)
where:
Base-Base interactions energy: -143.959
where: short stacking energy: -61.679
Base-Backbone interact. energy: 0.285
local terms energy: -87.673919
where:
bonds (distance) C4'-P energy: -19.498
bonds (distance) P-C4' energy: -17.396
flat angles C4'-P-C4' energy: -17.622
flat angles P-C4'-P energy: -18.652
tors. eta vs tors. theta energy: -14.506
Dist. restrs. and SS energy: -36.000 (S_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: 397
Temperature: 1.300000
Total energy: -273.067299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.067299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.067299 (E_RNA)
where:
Base-Base interactions energy: -145.840
where: short stacking energy: -60.015
Base-Backbone interact. energy: -0.320
local terms energy: -90.906993
where:
bonds (distance) C4'-P energy: -17.511
bonds (distance) P-C4' energy: -24.313
flat angles C4'-P-C4' energy: -23.042
flat angles P-C4'-P energy: -10.971
tors. eta vs tors. theta energy: -15.071
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -252.249543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.249543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.249543 (E_RNA)
where:
Base-Base interactions energy: -142.931
where: short stacking energy: -58.066
Base-Backbone interact. energy: -0.493
local terms energy: -72.825370
where:
bonds (distance) C4'-P energy: -19.907
bonds (distance) P-C4' energy: -16.907
flat angles C4'-P-C4' energy: -15.593
flat angles P-C4'-P energy: -13.504
tors. eta vs tors. theta energy: -6.914
Dist. restrs. and SS energy: -36.000 (S_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: -418.947851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.947851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.547851 (E_RNA)
where:
Base-Base interactions energy: -255.755
where: short stacking energy: -102.085
Base-Backbone interact. energy: -1.356
local terms energy: -111.436690
where:
bonds (distance) C4'-P energy: -21.010
bonds (distance) P-C4' energy: -23.858
flat angles C4'-P-C4' energy: -19.906
flat angles P-C4'-P energy: -17.556
tors. eta vs tors. theta energy: -29.107
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -416.170107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.170107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.770107 (E_RNA)
where:
Base-Base interactions energy: -251.379
where: short stacking energy: -99.099
Base-Backbone interact. energy: -1.136
local terms energy: -113.254866
where:
bonds (distance) C4'-P energy: -22.454
bonds (distance) P-C4' energy: -23.961
flat angles C4'-P-C4' energy: -24.716
flat angles P-C4'-P energy: -16.101
tors. eta vs tors. theta energy: -26.022
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -373.084674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.084674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.684674 (E_RNA)
where:
Base-Base interactions energy: -220.554
where: short stacking energy: -94.706
Base-Backbone interact. energy: -0.562
local terms energy: -101.568005
where:
bonds (distance) C4'-P energy: -15.203
bonds (distance) P-C4' energy: -23.890
flat angles C4'-P-C4' energy: -24.661
flat angles P-C4'-P energy: -11.658
tors. eta vs tors. theta energy: -26.156
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -380.372603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.372603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.972603 (E_RNA)
where:
Base-Base interactions energy: -238.345
where: short stacking energy: -81.865
Base-Backbone interact. energy: -0.064
local terms energy: -91.563534
where:
bonds (distance) C4'-P energy: -23.385
bonds (distance) P-C4' energy: -21.158
flat angles C4'-P-C4' energy: -15.813
flat angles P-C4'-P energy: -13.892
tors. eta vs tors. theta energy: -17.315
Dist. restrs. and SS energy: -50.400 (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: 398
Temperature: 1.100000
Total energy: -331.572030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.572030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.772030 (E_RNA)
where:
Base-Base interactions energy: -194.058
where: short stacking energy: -86.034
Base-Backbone interact. energy: -0.207
local terms energy: -99.506987
where:
bonds (distance) C4'-P energy: -19.834
bonds (distance) P-C4' energy: -22.031
flat angles C4'-P-C4' energy: -18.069
flat angles P-C4'-P energy: -14.978
tors. eta vs tors. theta energy: -24.594
Dist. restrs. and SS energy: -37.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -307.458343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.458343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.458343 (E_RNA)
where:
Base-Base interactions energy: -175.256
where: short stacking energy: -66.228
Base-Backbone interact. energy: -0.365
local terms energy: -95.837618
where:
bonds (distance) C4'-P energy: -20.769
bonds (distance) P-C4' energy: -20.397
flat angles C4'-P-C4' energy: -25.009
flat angles P-C4'-P energy: -16.117
tors. eta vs tors. theta energy: -13.546
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -293.733409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.733409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.733409 (E_RNA)
where:
Base-Base interactions energy: -163.859
where: short stacking energy: -70.551
Base-Backbone interact. energy: 1.801
local terms energy: -95.675915
where:
bonds (distance) C4'-P energy: -16.307
bonds (distance) P-C4' energy: -23.747
flat angles C4'-P-C4' energy: -20.981
flat angles P-C4'-P energy: -15.271
tors. eta vs tors. theta energy: -19.371
Dist. restrs. and SS energy: -36.000 (S_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: 398
Temperature: 1.250000
Total energy: -270.345166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.345166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.345166 (E_RNA)
where:
Base-Base interactions energy: -160.810
where: short stacking energy: -59.139
Base-Backbone interact. energy: -0.228
local terms energy: -73.307047
where:
bonds (distance) C4'-P energy: -17.197
bonds (distance) P-C4' energy: -17.839
flat angles C4'-P-C4' energy: -15.006
flat angles P-C4'-P energy: -11.006
tors. eta vs tors. theta energy: -12.258
Dist. restrs. and SS energy: -36.000 (S_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: 398
Temperature: 1.300000
Total energy: -274.493106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.493106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.493106 (E_RNA)
where:
Base-Base interactions energy: -149.836
where: short stacking energy: -58.406
Base-Backbone interact. energy: 0.295
local terms energy: -88.952686
where:
bonds (distance) C4'-P energy: -18.858
bonds (distance) P-C4' energy: -25.442
flat angles C4'-P-C4' energy: -15.365
flat angles P-C4'-P energy: -16.114
tors. eta vs tors. theta energy: -13.173
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -244.970541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.970541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.970541 (E_RNA)
where:
Base-Base interactions energy: -131.193
where: short stacking energy: -50.414
Base-Backbone interact. energy: -0.265
local terms energy: -77.512514
where:
bonds (distance) C4'-P energy: -20.737
bonds (distance) P-C4' energy: -18.373
flat angles C4'-P-C4' energy: -19.269
flat angles P-C4'-P energy: -13.287
tors. eta vs tors. theta energy: -5.846
Dist. restrs. and SS energy: -36.000 (S_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: -413.479268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.479268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.079268 (E_RNA)
where:
Base-Base interactions energy: -251.117
where: short stacking energy: -96.916
Base-Backbone interact. energy: -0.512
local terms energy: -111.449779
where:
bonds (distance) C4'-P energy: -20.321
bonds (distance) P-C4' energy: -23.588
flat angles C4'-P-C4' energy: -20.564
flat angles P-C4'-P energy: -16.741
tors. eta vs tors. theta energy: -30.236
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -424.686376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.686376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.286376 (E_RNA)
where:
Base-Base interactions energy: -252.458
where: short stacking energy: -108.030
Base-Backbone interact. energy: -1.544
local terms energy: -120.284570
where:
bonds (distance) C4'-P energy: -25.272
bonds (distance) P-C4' energy: -25.082
flat angles C4'-P-C4' energy: -21.432
flat angles P-C4'-P energy: -17.109
tors. eta vs tors. theta energy: -31.389
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -395.341261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.341261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.941261 (E_RNA)
where:
Base-Base interactions energy: -235.022
where: short stacking energy: -83.370
Base-Backbone interact. energy: -1.516
local terms energy: -108.402592
where:
bonds (distance) C4'-P energy: -24.524
bonds (distance) P-C4' energy: -20.772
flat angles C4'-P-C4' energy: -19.871
flat angles P-C4'-P energy: -18.687
tors. eta vs tors. theta energy: -24.548
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -396.871672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.871672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.271672 (E_RNA)
where:
Base-Base interactions energy: -243.112
where: short stacking energy: -85.030
Base-Backbone interact. energy: 0.082
local terms energy: -105.241884
where:
bonds (distance) C4'-P energy: -23.429
bonds (distance) P-C4' energy: -22.819
flat angles C4'-P-C4' energy: -22.213
flat angles P-C4'-P energy: -16.347
tors. eta vs tors. theta energy: -20.434
Dist. restrs. and SS energy: -48.600 (S_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: -330.209357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.209357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.809357 (E_RNA)
where:
Base-Base interactions energy: -195.149
where: short stacking energy: -81.820
Base-Backbone interact. energy: -0.146
local terms energy: -93.514485
where:
bonds (distance) C4'-P energy: -17.773
bonds (distance) P-C4' energy: -14.109
flat angles C4'-P-C4' energy: -23.444
flat angles P-C4'-P energy: -14.444
tors. eta vs tors. theta energy: -23.746
Dist. restrs. and SS energy: -41.400 (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: 4
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -301.290924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.290924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.090924 (E_RNA)
where:
Base-Base interactions energy: -164.598
where: short stacking energy: -73.592
Base-Backbone interact. energy: -0.121
local terms energy: -102.372269
where:
bonds (distance) C4'-P energy: -23.551
bonds (distance) P-C4' energy: -23.143
flat angles C4'-P-C4' energy: -26.288
flat angles P-C4'-P energy: -13.556
tors. eta vs tors. theta energy: -15.834
Dist. restrs. and SS energy: -34.200 (S_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: 399
Temperature: 1.200000
Total energy: -300.909684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.909684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.709684 (E_RNA)
where:
Base-Base interactions energy: -172.291
where: short stacking energy: -84.431
Base-Backbone interact. energy: -1.278
local terms energy: -93.140494
where:
bonds (distance) C4'-P energy: -17.270
bonds (distance) P-C4' energy: -13.163
flat angles C4'-P-C4' energy: -23.751
flat angles P-C4'-P energy: -18.506
tors. eta vs tors. theta energy: -20.450
Dist. restrs. and SS energy: -34.200 (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: 2
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -278.860256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.860256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.860256 (E_RNA)
where:
Base-Base interactions energy: -152.437
where: short stacking energy: -68.716
Base-Backbone interact. energy: -0.205
local terms energy: -90.218400
where:
bonds (distance) C4'-P energy: -17.633
bonds (distance) P-C4' energy: -23.265
flat angles C4'-P-C4' energy: -21.540
flat angles P-C4'-P energy: -12.829
tors. eta vs tors. theta energy: -14.952
Dist. restrs. and SS energy: -36.000 (S_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: 399
Temperature: 1.300000
Total energy: -260.933634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.933634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.733634 (E_RNA)
where:
Base-Base interactions energy: -139.815
where: short stacking energy: -67.132
Base-Backbone interact. energy: -0.040
local terms energy: -86.878952
where:
bonds (distance) C4'-P energy: -20.740
bonds (distance) P-C4' energy: -17.330
flat angles C4'-P-C4' energy: -20.349
flat angles P-C4'-P energy: -13.906
tors. eta vs tors. theta energy: -14.554
Dist. restrs. and SS energy: -34.200 (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: 9
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -250.369789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.369789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.369789 (E_RNA)
where:
Base-Base interactions energy: -139.923
where: short stacking energy: -52.664
Base-Backbone interact. energy: -0.687
local terms energy: -73.760153
where:
bonds (distance) C4'-P energy: -19.979
bonds (distance) P-C4' energy: -18.309
flat angles C4'-P-C4' energy: -22.598
flat angles P-C4'-P energy: -9.086
tors. eta vs tors. theta energy: -3.789
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -399.374786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.374786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.774786 (E_RNA)
where:
Base-Base interactions energy: -253.791
where: short stacking energy: -100.335
Base-Backbone interact. energy: 0.350
local terms energy: -97.334429
where:
bonds (distance) C4'-P energy: -19.638
bonds (distance) P-C4' energy: -18.102
flat angles C4'-P-C4' energy: -23.825
flat angles P-C4'-P energy: -13.928
tors. eta vs tors. theta energy: -21.841
Dist. restrs. and SS energy: -48.600 (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: 1
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -408.964226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.964226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.564226 (E_RNA)
where:
Base-Base interactions energy: -246.844
where: short stacking energy: -97.599
Base-Backbone interact. energy: 1.630
local terms energy: -113.350173
where:
bonds (distance) C4'-P energy: -24.740
bonds (distance) P-C4' energy: -25.054
flat angles C4'-P-C4' energy: -21.142
flat angles P-C4'-P energy: -16.924
tors. eta vs tors. theta energy: -25.491
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -396.093947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.093947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.693947 (E_RNA)
where:
Base-Base interactions energy: -249.695
where: short stacking energy: -92.978
Base-Backbone interact. energy: 0.094
local terms energy: -96.093780
where:
bonds (distance) C4'-P energy: -16.827
bonds (distance) P-C4' energy: -20.301
flat angles C4'-P-C4' energy: -26.012
flat angles P-C4'-P energy: -9.018
tors. eta vs tors. theta energy: -23.936
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -368.383185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.383185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.983185 (E_RNA)
where:
Base-Base interactions energy: -220.510
where: short stacking energy: -82.284
Base-Backbone interact. energy: -0.752
local terms energy: -96.720797
where:
bonds (distance) C4'-P energy: -22.098
bonds (distance) P-C4' energy: -19.620
flat angles C4'-P-C4' energy: -18.941
flat angles P-C4'-P energy: -13.183
tors. eta vs tors. theta energy: -22.878
Dist. restrs. and SS energy: -50.400 (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: 4
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -299.531248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.531248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.531248 (E_RNA)
where:
Base-Base interactions energy: -163.874
where: short stacking energy: -75.137
Base-Backbone interact. energy: 0.714
local terms energy: -100.371306
where:
bonds (distance) C4'-P energy: -19.361
bonds (distance) P-C4' energy: -23.815
flat angles C4'-P-C4' energy: -24.199
flat angles P-C4'-P energy: -16.557
tors. eta vs tors. theta energy: -16.439
Dist. restrs. and SS energy: -36.000 (S_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: 400
Temperature: 1.150000
Total energy: -322.040219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.040219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.840219 (E_RNA)
where:
Base-Base interactions energy: -174.416
where: short stacking energy: -73.748
Base-Backbone interact. energy: -0.244
local terms energy: -104.179998
where:
bonds (distance) C4'-P energy: -20.965
bonds (distance) P-C4' energy: -19.770
flat angles C4'-P-C4' energy: -25.037
flat angles P-C4'-P energy: -19.693
tors. eta vs tors. theta energy: -18.716
Dist. restrs. and SS energy: -43.200 (S_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: 400
Temperature: 1.200000
Total energy: -285.325016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.325016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.325016 (E_RNA)
where:
Base-Base interactions energy: -162.665
where: short stacking energy: -69.895
Base-Backbone interact. energy: -0.138
local terms energy: -86.521921
where:
bonds (distance) C4'-P energy: -19.126
bonds (distance) P-C4' energy: -18.512
flat angles C4'-P-C4' energy: -20.926
flat angles P-C4'-P energy: -12.460
tors. eta vs tors. theta energy: -15.499
Dist. restrs. and SS energy: -36.000 (S_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: 400
Temperature: 1.250000
Total energy: -266.921220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.921220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.921220 (E_RNA)
where:
Base-Base interactions energy: -142.083
where: short stacking energy: -75.583
Base-Backbone interact. energy: 0.088
local terms energy: -88.925857
where:
bonds (distance) C4'-P energy: -16.052
bonds (distance) P-C4' energy: -23.492
flat angles C4'-P-C4' energy: -12.627
flat angles P-C4'-P energy: -21.339
tors. eta vs tors. theta energy: -15.416
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -252.532115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.532115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.532115 (E_RNA)
where:
Base-Base interactions energy: -141.282
where: short stacking energy: -73.186
Base-Backbone interact. energy: -0.164
local terms energy: -75.086315
where:
bonds (distance) C4'-P energy: -15.025
bonds (distance) P-C4' energy: -17.293
flat angles C4'-P-C4' energy: -17.861
flat angles P-C4'-P energy: -12.878
tors. eta vs tors. theta energy: -12.030
Dist. restrs. and SS energy: -36.000 (S_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: 400
Temperature: 1.350000
Total energy: -256.665539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.665539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.665539 (E_RNA)
where:
Base-Base interactions energy: -127.561
where: short stacking energy: -63.151
Base-Backbone interact. energy: -0.010
local terms energy: -93.095218
where:
bonds (distance) C4'-P energy: -15.545
bonds (distance) P-C4' energy: -24.118
flat angles C4'-P-C4' energy: -22.174
flat angles P-C4'-P energy: -14.308
tors. eta vs tors. theta energy: -16.950
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -421.583946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.583946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.183946 (E_RNA)
where:
Base-Base interactions energy: -256.475
where: short stacking energy: -97.525
Base-Backbone interact. energy: -0.071
local terms energy: -114.637454
where:
bonds (distance) C4'-P energy: -18.339
bonds (distance) P-C4' energy: -21.446
flat angles C4'-P-C4' energy: -27.664
flat angles P-C4'-P energy: -17.253
tors. eta vs tors. theta energy: -29.936
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -407.573708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.573708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.973708 (E_RNA)
where:
Base-Base interactions energy: -248.912
where: short stacking energy: -96.595
Base-Backbone interact. energy: -0.471
local terms energy: -109.591227
where:
bonds (distance) C4'-P energy: -22.037
bonds (distance) P-C4' energy: -22.119
flat angles C4'-P-C4' energy: -25.133
flat angles P-C4'-P energy: -18.345
tors. eta vs tors. theta energy: -21.957
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -403.702807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.702807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.302807 (E_RNA)
where:
Base-Base interactions energy: -244.729
where: short stacking energy: -91.706
Base-Backbone interact. energy: -0.968
local terms energy: -107.605627
where:
bonds (distance) C4'-P energy: -19.064
bonds (distance) P-C4' energy: -22.377
flat angles C4'-P-C4' energy: -19.599
flat angles P-C4'-P energy: -13.981
tors. eta vs tors. theta energy: -32.584
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -383.403067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.403067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.003067 (E_RNA)
where:
Base-Base interactions energy: -239.470
where: short stacking energy: -95.004
Base-Backbone interact. energy: -1.116
local terms energy: -92.416921
where:
bonds (distance) C4'-P energy: -18.577
bonds (distance) P-C4' energy: -19.886
flat angles C4'-P-C4' energy: -24.541
flat angles P-C4'-P energy: -6.462
tors. eta vs tors. theta energy: -22.952
Dist. restrs. and SS energy: -50.400 (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: 4
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -304.682384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.682384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.682384 (E_RNA)
where:
Base-Base interactions energy: -173.981
where: short stacking energy: -67.856
Base-Backbone interact. energy: -0.324
local terms energy: -94.376580
where:
bonds (distance) C4'-P energy: -16.371
bonds (distance) P-C4' energy: -25.917
flat angles C4'-P-C4' energy: -20.478
flat angles P-C4'-P energy: -16.263
tors. eta vs tors. theta energy: -15.347
Dist. restrs. and SS energy: -36.000 (S_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: 401
Temperature: 1.150000
Total energy: -323.398750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.398750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.598750 (E_RNA)
where:
Base-Base interactions energy: -181.053
where: short stacking energy: -73.058
Base-Backbone interact. energy: -0.137
local terms energy: -95.409027
where:
bonds (distance) C4'-P energy: -21.386
bonds (distance) P-C4' energy: -22.270
flat angles C4'-P-C4' energy: -24.761
flat angles P-C4'-P energy: -12.453
tors. eta vs tors. theta energy: -14.539
Dist. restrs. and SS energy: -46.800 (S_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: 401
Temperature: 1.200000
Total energy: -275.444369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.444369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.244369 (E_RNA)
where:
Base-Base interactions energy: -147.393
where: short stacking energy: -74.967
Base-Backbone interact. energy: 0.441
local terms energy: -94.292214
where:
bonds (distance) C4'-P energy: -20.854
bonds (distance) P-C4' energy: -22.302
flat angles C4'-P-C4' energy: -21.309
flat angles P-C4'-P energy: -12.654
tors. eta vs tors. theta energy: -17.173
Dist. restrs. and SS energy: -34.200 (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: 9
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -261.688146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.688146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.488146 (E_RNA)
where:
Base-Base interactions energy: -137.425
where: short stacking energy: -70.183
Base-Backbone interact. energy: -0.275
local terms energy: -89.788358
where:
bonds (distance) C4'-P energy: -25.456
bonds (distance) P-C4' energy: -23.946
flat angles C4'-P-C4' energy: -19.821
flat angles P-C4'-P energy: -4.750
tors. eta vs tors. theta energy: -15.816
Dist. restrs. and SS energy: -34.200 (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: 3
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -273.244052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.244052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.244052 (E_RNA)
where:
Base-Base interactions energy: -150.043
where: short stacking energy: -75.778
Base-Backbone interact. energy: 0.693
local terms energy: -87.894533
where:
bonds (distance) C4'-P energy: -21.486
bonds (distance) P-C4' energy: -24.387
flat angles C4'-P-C4' energy: -19.021
flat angles P-C4'-P energy: -10.612
tors. eta vs tors. theta energy: -12.389
Dist. restrs. and SS energy: -36.000 (S_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: 401
Temperature: 1.350000
Total energy: -268.653345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.653345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.653345 (E_RNA)
where:
Base-Base interactions energy: -151.803
where: short stacking energy: -65.186
Base-Backbone interact. energy: -0.511
local terms energy: -80.338894
where:
bonds (distance) C4'-P energy: -17.730
bonds (distance) P-C4' energy: -19.081
flat angles C4'-P-C4' energy: -20.515
flat angles P-C4'-P energy: -8.530
tors. eta vs tors. theta energy: -14.483
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -415.521160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.521160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.121160 (E_RNA)
where:
Base-Base interactions energy: -250.314
where: short stacking energy: -101.132
Base-Backbone interact. energy: -0.727
local terms energy: -114.080142
where:
bonds (distance) C4'-P energy: -21.655
bonds (distance) P-C4' energy: -24.415
flat angles C4'-P-C4' energy: -20.812
flat angles P-C4'-P energy: -16.472
tors. eta vs tors. theta energy: -30.726
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -406.274822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.274822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.874822 (E_RNA)
where:
Base-Base interactions energy: -248.285
where: short stacking energy: -93.559
Base-Backbone interact. energy: -0.988
local terms energy: -106.601794
where:
bonds (distance) C4'-P energy: -21.772
bonds (distance) P-C4' energy: -22.938
flat angles C4'-P-C4' energy: -21.414
flat angles P-C4'-P energy: -18.293
tors. eta vs tors. theta energy: -22.184
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -399.182406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.182406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.782406 (E_RNA)
where:
Base-Base interactions energy: -239.046
where: short stacking energy: -94.360
Base-Backbone interact. energy: -0.250
local terms energy: -109.486787
where:
bonds (distance) C4'-P energy: -22.087
bonds (distance) P-C4' energy: -17.905
flat angles C4'-P-C4' energy: -20.934
flat angles P-C4'-P energy: -19.515
tors. eta vs tors. theta energy: -29.046
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -407.094273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.094273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.694273 (E_RNA)
where:
Base-Base interactions energy: -240.728
where: short stacking energy: -97.891
Base-Backbone interact. energy: -1.037
local terms energy: -114.929260
where:
bonds (distance) C4'-P energy: -19.672
bonds (distance) P-C4' energy: -24.796
flat angles C4'-P-C4' energy: -22.950
flat angles P-C4'-P energy: -14.165
tors. eta vs tors. theta energy: -33.347
Dist. restrs. and SS energy: -50.400 (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: 402
Temperature: 1.100000
Total energy: -343.022923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.022923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.622923 (E_RNA)
where:
Base-Base interactions energy: -189.465
where: short stacking energy: -81.622
Base-Backbone interact. energy: 1.335
local terms energy: -104.492865
where:
bonds (distance) C4'-P energy: -23.149
bonds (distance) P-C4' energy: -21.616
flat angles C4'-P-C4' energy: -24.284
flat angles P-C4'-P energy: -14.085
tors. eta vs tors. theta energy: -21.359
Dist. restrs. and SS energy: -50.400 (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: 4
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -293.478208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.478208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.878208 (E_RNA)
where:
Base-Base interactions energy: -175.690
where: short stacking energy: -83.526
Base-Backbone interact. energy: -0.051
local terms energy: -87.137353
where:
bonds (distance) C4'-P energy: -15.263
bonds (distance) P-C4' energy: -12.723
flat angles C4'-P-C4' energy: -23.143
flat angles P-C4'-P energy: -13.570
tors. eta vs tors. theta energy: -22.437
Dist. restrs. and SS energy: -30.600 (S_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: 402
Temperature: 1.200000
Total energy: -290.221242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.221242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.221242 (E_RNA)
where:
Base-Base interactions energy: -172.021
where: short stacking energy: -71.418
Base-Backbone interact. energy: 1.466
local terms energy: -83.667065
where:
bonds (distance) C4'-P energy: -17.452
bonds (distance) P-C4' energy: -20.670
flat angles C4'-P-C4' energy: -20.293
flat angles P-C4'-P energy: -12.833
tors. eta vs tors. theta energy: -12.419
Dist. restrs. and SS energy: -36.000 (S_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: 402
Temperature: 1.250000
Total energy: -276.724535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.724535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.724535 (E_RNA)
where:
Base-Base interactions energy: -153.905
where: short stacking energy: -63.586
Base-Backbone interact. energy: -0.463
local terms energy: -86.356893
where:
bonds (distance) C4'-P energy: -21.953
bonds (distance) P-C4' energy: -21.573
flat angles C4'-P-C4' energy: -18.155
flat angles P-C4'-P energy: -15.616
tors. eta vs tors. theta energy: -9.060
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -249.631513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.631513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.631513 (E_RNA)
where:
Base-Base interactions energy: -135.546
where: short stacking energy: -64.673
Base-Backbone interact. energy: 0.854
local terms energy: -78.938888
where:
bonds (distance) C4'-P energy: -18.890
bonds (distance) P-C4' energy: -21.197
flat angles C4'-P-C4' energy: -12.417
flat angles P-C4'-P energy: -18.516
tors. eta vs tors. theta energy: -7.918
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -284.929387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.929387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.929387 (E_RNA)
where:
Base-Base interactions energy: -152.845
where: short stacking energy: -64.690
Base-Backbone interact. energy: -0.998
local terms energy: -95.087072
where:
bonds (distance) C4'-P energy: -19.388
bonds (distance) P-C4' energy: -26.127
flat angles C4'-P-C4' energy: -17.533
flat angles P-C4'-P energy: -18.772
tors. eta vs tors. theta energy: -13.267
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -423.356975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.356975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.756975 (E_RNA)
where:
Base-Base interactions energy: -257.853
where: short stacking energy: -97.466
Base-Backbone interact. energy: -1.174
local terms energy: -115.729838
where:
bonds (distance) C4'-P energy: -24.874
bonds (distance) P-C4' energy: -23.999
flat angles C4'-P-C4' energy: -22.506
flat angles P-C4'-P energy: -15.485
tors. eta vs tors. theta energy: -28.865
Dist. restrs. and SS energy: -48.600 (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: 10
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -406.037212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.037212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.637212 (E_RNA)
where:
Base-Base interactions energy: -257.207
where: short stacking energy: -95.058
Base-Backbone interact. energy: 0.570
local terms energy: -98.999741
where:
bonds (distance) C4'-P energy: -16.011
bonds (distance) P-C4' energy: -20.008
flat angles C4'-P-C4' energy: -21.704
flat angles P-C4'-P energy: -11.845
tors. eta vs tors. theta energy: -29.431
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -390.820832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.820832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.420832 (E_RNA)
where:
Base-Base interactions energy: -242.141
where: short stacking energy: -92.691
Base-Backbone interact. energy: -1.405
local terms energy: -96.875663
where:
bonds (distance) C4'-P energy: -22.086
bonds (distance) P-C4' energy: -16.348
flat angles C4'-P-C4' energy: -22.413
flat angles P-C4'-P energy: -14.038
tors. eta vs tors. theta energy: -21.991
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -379.061302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.061302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.661302 (E_RNA)
where:
Base-Base interactions energy: -234.128
where: short stacking energy: -91.113
Base-Backbone interact. energy: 0.302
local terms energy: -94.835826
where:
bonds (distance) C4'-P energy: -18.024
bonds (distance) P-C4' energy: -21.403
flat angles C4'-P-C4' energy: -16.464
flat angles P-C4'-P energy: -12.050
tors. eta vs tors. theta energy: -26.894
Dist. restrs. and SS energy: -50.400 (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: 403
Temperature: 1.100000
Total energy: -332.550742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.550742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.750742 (E_RNA)
where:
Base-Base interactions energy: -193.936
where: short stacking energy: -83.970
Base-Backbone interact. energy: -0.775
local terms energy: -100.040151
where:
bonds (distance) C4'-P energy: -20.198
bonds (distance) P-C4' energy: -21.499
flat angles C4'-P-C4' energy: -25.659
flat angles P-C4'-P energy: -12.776
tors. eta vs tors. theta energy: -19.909
Dist. restrs. and SS energy: -37.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -310.061309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.061309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.061309 (E_RNA)
where:
Base-Base interactions energy: -173.216
where: short stacking energy: -79.292
Base-Backbone interact. energy: -0.067
local terms energy: -100.778519
where:
bonds (distance) C4'-P energy: -22.111
bonds (distance) P-C4' energy: -26.151
flat angles C4'-P-C4' energy: -20.767
flat angles P-C4'-P energy: -12.989
tors. eta vs tors. theta energy: -18.761
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -293.726076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.726076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.726076 (E_RNA)
where:
Base-Base interactions energy: -165.542
where: short stacking energy: -68.135
Base-Backbone interact. energy: -1.052
local terms energy: -91.132452
where:
bonds (distance) C4'-P energy: -21.867
bonds (distance) P-C4' energy: -18.773
flat angles C4'-P-C4' energy: -21.116
flat angles P-C4'-P energy: -14.680
tors. eta vs tors. theta energy: -14.697
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -267.142386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.142386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.142386 (E_RNA)
where:
Base-Base interactions energy: -148.836
where: short stacking energy: -57.983
Base-Backbone interact. energy: -0.247
local terms energy: -82.059328
where:
bonds (distance) C4'-P energy: -21.896
bonds (distance) P-C4' energy: -13.805
flat angles C4'-P-C4' energy: -19.490
flat angles P-C4'-P energy: -14.126
tors. eta vs tors. theta energy: -12.742
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -274.157156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.157156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.157156 (E_RNA)
where:
Base-Base interactions energy: -155.220
where: short stacking energy: -70.308
Base-Backbone interact. energy: -0.202
local terms energy: -82.734751
where:
bonds (distance) C4'-P energy: -13.665
bonds (distance) P-C4' energy: -19.126
flat angles C4'-P-C4' energy: -22.658
flat angles P-C4'-P energy: -16.439
tors. eta vs tors. theta energy: -10.847
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -266.715472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.715472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.715472 (E_RNA)
where:
Base-Base interactions energy: -161.267
where: short stacking energy: -71.563
Base-Backbone interact. energy: -0.778
local terms energy: -68.669767
where:
bonds (distance) C4'-P energy: -14.630
bonds (distance) P-C4' energy: -11.479
flat angles C4'-P-C4' energy: -21.182
flat angles P-C4'-P energy: -10.163
tors. eta vs tors. theta energy: -11.216
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -414.863224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.863224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.463224 (E_RNA)
where:
Base-Base interactions energy: -250.951
where: short stacking energy: -102.372
Base-Backbone interact. energy: -0.385
local terms energy: -113.127733
where:
bonds (distance) C4'-P energy: -21.760
bonds (distance) P-C4' energy: -23.443
flat angles C4'-P-C4' energy: -24.176
flat angles P-C4'-P energy: -17.404
tors. eta vs tors. theta energy: -26.345
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -407.991439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.991439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.591439 (E_RNA)
where:
Base-Base interactions energy: -245.382
where: short stacking energy: -97.775
Base-Backbone interact. energy: -0.906
local terms energy: -111.303638
where:
bonds (distance) C4'-P energy: -19.706
bonds (distance) P-C4' energy: -21.410
flat angles C4'-P-C4' energy: -23.711
flat angles P-C4'-P energy: -18.628
tors. eta vs tors. theta energy: -27.848
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -397.848446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.848446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.448446 (E_RNA)
where:
Base-Base interactions energy: -233.248
where: short stacking energy: -90.509
Base-Backbone interact. energy: -0.721
local terms energy: -113.479717
where:
bonds (distance) C4'-P energy: -17.376
bonds (distance) P-C4' energy: -24.728
flat angles C4'-P-C4' energy: -25.855
flat angles P-C4'-P energy: -17.325
tors. eta vs tors. theta energy: -28.196
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -376.776442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.776442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.376442 (E_RNA)
where:
Base-Base interactions energy: -223.543
where: short stacking energy: -99.161
Base-Backbone interact. energy: -0.294
local terms energy: -102.538751
where:
bonds (distance) C4'-P energy: -18.888
bonds (distance) P-C4' energy: -23.801
flat angles C4'-P-C4' energy: -21.032
flat angles P-C4'-P energy: -17.155
tors. eta vs tors. theta energy: -21.663
Dist. restrs. and SS energy: -50.400 (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: 404
Temperature: 1.100000
Total energy: -310.437085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.437085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.437085 (E_RNA)
where:
Base-Base interactions energy: -174.651
where: short stacking energy: -80.990
Base-Backbone interact. energy: -0.878
local terms energy: -98.908341
where:
bonds (distance) C4'-P energy: -21.864
bonds (distance) P-C4' energy: -24.124
flat angles C4'-P-C4' energy: -21.198
flat angles P-C4'-P energy: -7.901
tors. eta vs tors. theta energy: -23.821
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -318.392677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.392677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.392677 (E_RNA)
where:
Base-Base interactions energy: -184.307
where: short stacking energy: -78.566
Base-Backbone interact. energy: -0.818
local terms energy: -97.267349
where:
bonds (distance) C4'-P energy: -18.567
bonds (distance) P-C4' energy: -21.791
flat angles C4'-P-C4' energy: -24.552
flat angles P-C4'-P energy: -16.141
tors. eta vs tors. theta energy: -16.216
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -292.456325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.456325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.256325 (E_RNA)
where:
Base-Base interactions energy: -161.227
where: short stacking energy: -80.425
Base-Backbone interact. energy: -0.145
local terms energy: -96.884246
where:
bonds (distance) C4'-P energy: -25.998
bonds (distance) P-C4' energy: -19.083
flat angles C4'-P-C4' energy: -16.941
flat angles P-C4'-P energy: -11.804
tors. eta vs tors. theta energy: -23.059
Dist. restrs. and SS energy: -34.200 (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: 6
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -265.045779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.045779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.045779 (E_RNA)
where:
Base-Base interactions energy: -142.699
where: short stacking energy: -62.509
Base-Backbone interact. energy: 1.293
local terms energy: -87.640187
where:
bonds (distance) C4'-P energy: -20.583
bonds (distance) P-C4' energy: -18.025
flat angles C4'-P-C4' energy: -22.297
flat angles P-C4'-P energy: -16.516
tors. eta vs tors. theta energy: -10.220
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -289.915626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.915626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.915626 (E_RNA)
where:
Base-Base interactions energy: -165.346
where: short stacking energy: -75.343
Base-Backbone interact. energy: -2.118
local terms energy: -86.451251
where:
bonds (distance) C4'-P energy: -19.125
bonds (distance) P-C4' energy: -13.205
flat angles C4'-P-C4' energy: -17.848
flat angles P-C4'-P energy: -13.261
tors. eta vs tors. theta energy: -23.012
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -263.409514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.409514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.409514 (E_RNA)
where:
Base-Base interactions energy: -141.561
where: short stacking energy: -56.859
Base-Backbone interact. energy: -0.363
local terms energy: -85.485584
where:
bonds (distance) C4'-P energy: -20.707
bonds (distance) P-C4' energy: -23.014
flat angles C4'-P-C4' energy: -21.348
flat angles P-C4'-P energy: -14.751
tors. eta vs tors. theta energy: -5.666
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -416.243854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.243854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.843854 (E_RNA)
where:
Base-Base interactions energy: -256.013
where: short stacking energy: -105.460
Base-Backbone interact. energy: -0.355
local terms energy: -109.476034
where:
bonds (distance) C4'-P energy: -19.605
bonds (distance) P-C4' energy: -21.853
flat angles C4'-P-C4' energy: -21.902
flat angles P-C4'-P energy: -16.699
tors. eta vs tors. theta energy: -29.417
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -400.009369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.009369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.609369 (E_RNA)
where:
Base-Base interactions energy: -241.217
where: short stacking energy: -91.945
Base-Backbone interact. energy: -0.754
local terms energy: -107.638738
where:
bonds (distance) C4'-P energy: -21.858
bonds (distance) P-C4' energy: -24.317
flat angles C4'-P-C4' energy: -25.128
flat angles P-C4'-P energy: -15.125
tors. eta vs tors. theta energy: -21.210
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -388.103567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.103567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.703567 (E_RNA)
where:
Base-Base interactions energy: -237.519
where: short stacking energy: -92.651
Base-Backbone interact. energy: -0.178
local terms energy: -100.006435
where:
bonds (distance) C4'-P energy: -20.810
bonds (distance) P-C4' energy: -19.478
flat angles C4'-P-C4' energy: -18.493
flat angles P-C4'-P energy: -15.883
tors. eta vs tors. theta energy: -25.342
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -360.323447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.323447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.923447 (E_RNA)
where:
Base-Base interactions energy: -205.918
where: short stacking energy: -78.266
Base-Backbone interact. energy: -0.683
local terms energy: -103.321940
where:
bonds (distance) C4'-P energy: -21.453
bonds (distance) P-C4' energy: -26.418
flat angles C4'-P-C4' energy: -20.336
flat angles P-C4'-P energy: -14.642
tors. eta vs tors. theta energy: -20.473
Dist. restrs. and SS energy: -50.400 (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: 405
Temperature: 1.100000
Total energy: -335.491120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.491120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.891120 (E_RNA)
where:
Base-Base interactions energy: -196.073
where: short stacking energy: -89.943
Base-Backbone interact. energy: -0.267
local terms energy: -99.550997
where:
bonds (distance) C4'-P energy: -25.770
bonds (distance) P-C4' energy: -19.543
flat angles C4'-P-C4' energy: -17.273
flat angles P-C4'-P energy: -13.516
tors. eta vs tors. theta energy: -23.450
Dist. restrs. and SS energy: -39.600 (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: 4
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -309.608826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.608826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.408826 (E_RNA)
where:
Base-Base interactions energy: -189.635
where: short stacking energy: -88.123
Base-Backbone interact. energy: -0.022
local terms energy: -85.751998
where:
bonds (distance) C4'-P energy: -15.224
bonds (distance) P-C4' energy: -17.241
flat angles C4'-P-C4' energy: -17.903
flat angles P-C4'-P energy: -15.140
tors. eta vs tors. theta energy: -20.244
Dist. restrs. and SS energy: -34.200 (S_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: 405
Temperature: 1.200000
Total energy: -304.980526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.980526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.980526 (E_RNA)
where:
Base-Base interactions energy: -171.924
where: short stacking energy: -73.715
Base-Backbone interact. energy: -0.889
local terms energy: -96.166929
where:
bonds (distance) C4'-P energy: -21.499
bonds (distance) P-C4' energy: -24.360
flat angles C4'-P-C4' energy: -16.311
flat angles P-C4'-P energy: -14.435
tors. eta vs tors. theta energy: -19.562
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -276.126582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.126582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.926582 (E_RNA)
where:
Base-Base interactions energy: -152.086
where: short stacking energy: -67.949
Base-Backbone interact. energy: -0.260
local terms energy: -89.580572
where:
bonds (distance) C4'-P energy: -12.708
bonds (distance) P-C4' energy: -23.699
flat angles C4'-P-C4' energy: -23.103
flat angles P-C4'-P energy: -11.498
tors. eta vs tors. theta energy: -18.573
Dist. restrs. and SS energy: -34.200 (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: 6
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -252.054329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.054329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.654329 (E_RNA)
where:
Base-Base interactions energy: -141.492
where: short stacking energy: -72.037
Base-Backbone interact. energy: -0.121
local terms energy: -78.041460
where:
bonds (distance) C4'-P energy: -20.946
bonds (distance) P-C4' energy: -18.274
flat angles C4'-P-C4' energy: -15.592
flat angles P-C4'-P energy: -11.274
tors. eta vs tors. theta energy: -11.955
Dist. restrs. and SS energy: -32.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -271.529249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.529249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.329249 (E_RNA)
where:
Base-Base interactions energy: -157.067
where: short stacking energy: -75.709
Base-Backbone interact. energy: -0.968
local terms energy: -79.294394
where:
bonds (distance) C4'-P energy: -15.296
bonds (distance) P-C4' energy: -14.961
flat angles C4'-P-C4' energy: -21.105
flat angles P-C4'-P energy: -14.658
tors. eta vs tors. theta energy: -13.274
Dist. restrs. and SS energy: -34.200 (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: 7
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -416.949692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.949692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.549692 (E_RNA)
where:
Base-Base interactions energy: -251.078
where: short stacking energy: -94.010
Base-Backbone interact. energy: -0.976
local terms energy: -114.495501
where:
bonds (distance) C4'-P energy: -20.943
bonds (distance) P-C4' energy: -24.313
flat angles C4'-P-C4' energy: -24.425
flat angles P-C4'-P energy: -17.206
tors. eta vs tors. theta energy: -27.608
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -415.994619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.994619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.594619 (E_RNA)
where:
Base-Base interactions energy: -252.724
where: short stacking energy: -97.011
Base-Backbone interact. energy: 1.322
local terms energy: -114.192221
where:
bonds (distance) C4'-P energy: -21.326
bonds (distance) P-C4' energy: -27.994
flat angles C4'-P-C4' energy: -25.776
flat angles P-C4'-P energy: -13.657
tors. eta vs tors. theta energy: -25.439
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -396.102772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.102772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.702772 (E_RNA)
where:
Base-Base interactions energy: -234.717
where: short stacking energy: -91.684
Base-Backbone interact. energy: -0.960
local terms energy: -110.026604
where:
bonds (distance) C4'-P energy: -22.711
bonds (distance) P-C4' energy: -23.434
flat angles C4'-P-C4' energy: -21.340
flat angles P-C4'-P energy: -12.478
tors. eta vs tors. theta energy: -30.062
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -383.149371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.149371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.749371 (E_RNA)
where:
Base-Base interactions energy: -224.126
where: short stacking energy: -90.625
Base-Backbone interact. energy: -1.442
local terms energy: -107.181827
where:
bonds (distance) C4'-P energy: -19.590
bonds (distance) P-C4' energy: -19.211
flat angles C4'-P-C4' energy: -27.607
flat angles P-C4'-P energy: -16.399
tors. eta vs tors. theta energy: -24.375
Dist. restrs. and SS energy: -50.400 (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: 4
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -310.619843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.619843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.219843 (E_RNA)
where:
Base-Base interactions energy: -184.227
where: short stacking energy: -87.363
Base-Backbone interact. energy: -0.045
local terms energy: -93.947698
where:
bonds (distance) C4'-P energy: -13.504
bonds (distance) P-C4' energy: -22.264
flat angles C4'-P-C4' energy: -17.644
flat angles P-C4'-P energy: -18.189
tors. eta vs tors. theta energy: -22.348
Dist. restrs. and SS energy: -32.400 (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: 8
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -331.205382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.205382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.805382 (E_RNA)
where:
Base-Base interactions energy: -198.230
where: short stacking energy: -72.250
Base-Backbone interact. energy: 1.075
local terms energy: -83.651195
where:
bonds (distance) C4'-P energy: -19.043
bonds (distance) P-C4' energy: -18.184
flat angles C4'-P-C4' energy: -21.254
flat angles P-C4'-P energy: -9.719
tors. eta vs tors. theta energy: -15.452
Dist. restrs. and SS energy: -50.400 (S_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: 406
Temperature: 1.200000
Total energy: -300.922557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.922557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.322557 (E_RNA)
where:
Base-Base interactions energy: -170.175
where: short stacking energy: -72.237
Base-Backbone interact. energy: -0.382
local terms energy: -90.765224
where:
bonds (distance) C4'-P energy: -21.245
bonds (distance) P-C4' energy: -15.876
flat angles C4'-P-C4' energy: -19.676
flat angles P-C4'-P energy: -18.520
tors. eta vs tors. theta energy: -15.448
Dist. restrs. and SS energy: -39.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -284.663984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.663984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.663984 (E_RNA)
where:
Base-Base interactions energy: -156.675
where: short stacking energy: -80.684
Base-Backbone interact. energy: -0.304
local terms energy: -91.685188
where:
bonds (distance) C4'-P energy: -17.336
bonds (distance) P-C4' energy: -26.411
flat angles C4'-P-C4' energy: -19.191
flat angles P-C4'-P energy: -8.644
tors. eta vs tors. theta energy: -20.103
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -284.214649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.214649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.014649 (E_RNA)
where:
Base-Base interactions energy: -159.413
where: short stacking energy: -73.941
Base-Backbone interact. energy: -0.059
local terms energy: -90.543198
where:
bonds (distance) C4'-P energy: -14.419
bonds (distance) P-C4' energy: -20.329
flat angles C4'-P-C4' energy: -18.833
flat angles P-C4'-P energy: -17.654
tors. eta vs tors. theta energy: -19.309
Dist. restrs. and SS energy: -34.200 (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: 6
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -240.027907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.027907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.027907 (E_RNA)
where:
Base-Base interactions energy: -129.737
where: short stacking energy: -57.614
Base-Backbone interact. energy: -0.354
local terms energy: -73.936924
where:
bonds (distance) C4'-P energy: -14.911
bonds (distance) P-C4' energy: -19.829
flat angles C4'-P-C4' energy: -22.402
flat angles P-C4'-P energy: -7.006
tors. eta vs tors. theta energy: -9.789
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -409.475673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.475673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.075673 (E_RNA)
where:
Base-Base interactions energy: -250.703
where: short stacking energy: -93.424
Base-Backbone interact. energy: -0.850
local terms energy: -107.522989
where:
bonds (distance) C4'-P energy: -18.543
bonds (distance) P-C4' energy: -22.971
flat angles C4'-P-C4' energy: -21.285
flat angles P-C4'-P energy: -17.668
tors. eta vs tors. theta energy: -27.056
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -404.785343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.785343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.185343 (E_RNA)
where:
Base-Base interactions energy: -244.090
where: short stacking energy: -98.217
Base-Backbone interact. energy: -1.473
local terms energy: -110.622445
where:
bonds (distance) C4'-P energy: -22.375
bonds (distance) P-C4' energy: -22.470
flat angles C4'-P-C4' energy: -21.374
flat angles P-C4'-P energy: -15.196
tors. eta vs tors. theta energy: -29.207
Dist. restrs. and SS energy: -48.600 (S_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: 407
Temperature: 1.000000
Total energy: -403.764595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.764595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.164595 (E_RNA)
where:
Base-Base interactions energy: -243.598
where: short stacking energy: -84.283
Base-Backbone interact. energy: -0.796
local terms energy: -110.770722
where:
bonds (distance) C4'-P energy: -22.756
bonds (distance) P-C4' energy: -22.950
flat angles C4'-P-C4' energy: -23.401
flat angles P-C4'-P energy: -14.891
tors. eta vs tors. theta energy: -26.773
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -366.443946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.443946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.843946 (E_RNA)
where:
Base-Base interactions energy: -219.780
where: short stacking energy: -97.603
Base-Backbone interact. energy: -0.521
local terms energy: -97.543163
where:
bonds (distance) C4'-P energy: -19.202
bonds (distance) P-C4' energy: -22.360
flat angles C4'-P-C4' energy: -21.657
flat angles P-C4'-P energy: -10.774
tors. eta vs tors. theta energy: -23.551
Dist. restrs. and SS energy: -48.600 (S_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: 407
Temperature: 1.100000
Total energy: -310.164496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.164496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.164496 (E_RNA)
where:
Base-Base interactions energy: -181.665
where: short stacking energy: -85.384
Base-Backbone interact. energy: -0.379
local terms energy: -92.120914
where:
bonds (distance) C4'-P energy: -18.463
bonds (distance) P-C4' energy: -17.256
flat angles C4'-P-C4' energy: -17.646
flat angles P-C4'-P energy: -16.040
tors. eta vs tors. theta energy: -22.715
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -307.164411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.164411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.564411 (E_RNA)
where:
Base-Base interactions energy: -185.804
where: short stacking energy: -86.780
Base-Backbone interact. energy: 0.364
local terms energy: -91.124271
where:
bonds (distance) C4'-P energy: -16.714
bonds (distance) P-C4' energy: -20.148
flat angles C4'-P-C4' energy: -20.419
flat angles P-C4'-P energy: -12.637
tors. eta vs tors. theta energy: -21.206
Dist. restrs. and SS energy: -30.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -305.204218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.204218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.004218 (E_RNA)
where:
Base-Base interactions energy: -161.810
where: short stacking energy: -59.262
Base-Backbone interact. energy: -0.395
local terms energy: -99.799830
where:
bonds (distance) C4'-P energy: -21.171
bonds (distance) P-C4' energy: -25.054
flat angles C4'-P-C4' energy: -16.725
flat angles P-C4'-P energy: -16.101
tors. eta vs tors. theta energy: -20.749
Dist. restrs. and SS energy: -43.200 (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: 3
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -289.787305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.787305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.587305 (E_RNA)
where:
Base-Base interactions energy: -155.290
where: short stacking energy: -73.411
Base-Backbone interact. energy: -0.854
local terms energy: -99.442467
where:
bonds (distance) C4'-P energy: -21.911
bonds (distance) P-C4' energy: -24.402
flat angles C4'-P-C4' energy: -24.094
flat angles P-C4'-P energy: -13.372
tors. eta vs tors. theta energy: -15.664
Dist. restrs. and SS energy: -34.200 (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: 2
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -273.081662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.081662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.081662 (E_RNA)
where:
Base-Base interactions energy: -151.765
where: short stacking energy: -60.782
Base-Backbone interact. energy: -0.392
local terms energy: -84.924250
where:
bonds (distance) C4'-P energy: -20.969
bonds (distance) P-C4' energy: -14.459
flat angles C4'-P-C4' energy: -21.281
flat angles P-C4'-P energy: -14.356
tors. eta vs tors. theta energy: -13.860
Dist. restrs. and SS energy: -36.000 (S_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: 407
Temperature: 1.350000
Total energy: -236.382610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.382610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.382610 (E_RNA)
where:
Base-Base interactions energy: -132.668
where: short stacking energy: -52.443
Base-Backbone interact. energy: -0.252
local terms energy: -67.462319
where:
bonds (distance) C4'-P energy: -8.225
bonds (distance) P-C4' energy: -23.181
flat angles C4'-P-C4' energy: -12.868
flat angles P-C4'-P energy: -13.061
tors. eta vs tors. theta energy: -10.127
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -410.219363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.219363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.819363 (E_RNA)
where:
Base-Base interactions energy: -249.624
where: short stacking energy: -94.814
Base-Backbone interact. energy: -0.165
local terms energy: -110.030238
where:
bonds (distance) C4'-P energy: -22.868
bonds (distance) P-C4' energy: -14.558
flat angles C4'-P-C4' energy: -26.747
flat angles P-C4'-P energy: -19.366
tors. eta vs tors. theta energy: -26.491
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -397.256026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.256026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.856026 (E_RNA)
where:
Base-Base interactions energy: -241.316
where: short stacking energy: -94.122
Base-Backbone interact. energy: -1.044
local terms energy: -104.496642
where:
bonds (distance) C4'-P energy: -19.426
bonds (distance) P-C4' energy: -25.422
flat angles C4'-P-C4' energy: -23.452
flat angles P-C4'-P energy: -11.291
tors. eta vs tors. theta energy: -24.905
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -397.845555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.845555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.245555 (E_RNA)
where:
Base-Base interactions energy: -242.402
where: short stacking energy: -97.426
Base-Backbone interact. energy: -0.888
local terms energy: -105.955505
where:
bonds (distance) C4'-P energy: -21.176
bonds (distance) P-C4' energy: -22.310
flat angles C4'-P-C4' energy: -26.863
flat angles P-C4'-P energy: -13.002
tors. eta vs tors. theta energy: -22.604
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -371.054477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.054477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.454477 (E_RNA)
where:
Base-Base interactions energy: -218.921
where: short stacking energy: -85.865
Base-Backbone interact. energy: -1.296
local terms energy: -102.237396
where:
bonds (distance) C4'-P energy: -18.645
bonds (distance) P-C4' energy: -21.264
flat angles C4'-P-C4' energy: -23.026
flat angles P-C4'-P energy: -19.339
tors. eta vs tors. theta energy: -19.963
Dist. restrs. and SS energy: -48.600 (S_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: 408
Temperature: 1.100000
Total energy: -309.385378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.385378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.185378 (E_RNA)
where:
Base-Base interactions energy: -177.541
where: short stacking energy: -90.221
Base-Backbone interact. energy: -0.043
local terms energy: -97.602128
where:
bonds (distance) C4'-P energy: -18.867
bonds (distance) P-C4' energy: -21.475
flat angles C4'-P-C4' energy: -22.770
flat angles P-C4'-P energy: -12.838
tors. eta vs tors. theta energy: -21.653
Dist. restrs. and SS energy: -34.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -341.554298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.554298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.354298 (E_RNA)
where:
Base-Base interactions energy: -207.284
where: short stacking energy: -79.743
Base-Backbone interact. energy: -1.975
local terms energy: -98.095601
where:
bonds (distance) C4'-P energy: -22.097
bonds (distance) P-C4' energy: -13.378
flat angles C4'-P-C4' energy: -20.300
flat angles P-C4'-P energy: -15.224
tors. eta vs tors. theta energy: -27.097
Dist. restrs. and SS energy: -34.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -279.501783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.501783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.501783 (E_RNA)
where:
Base-Base interactions energy: -162.621
where: short stacking energy: -75.029
Base-Backbone interact. energy: 0.566
local terms energy: -81.446672
where:
bonds (distance) C4'-P energy: -19.049
bonds (distance) P-C4' energy: -17.723
flat angles C4'-P-C4' energy: -15.138
flat angles P-C4'-P energy: -12.069
tors. eta vs tors. theta energy: -17.467
Dist. restrs. and SS energy: -36.000 (S_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: 408
Temperature: 1.250000
Total energy: -271.106070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.106070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.106070 (E_RNA)
where:
Base-Base interactions energy: -139.072
where: short stacking energy: -57.617
Base-Backbone interact. energy: 0.253
local terms energy: -96.287118
where:
bonds (distance) C4'-P energy: -24.109
bonds (distance) P-C4' energy: -23.225
flat angles C4'-P-C4' energy: -19.594
flat angles P-C4'-P energy: -15.943
tors. eta vs tors. theta energy: -13.416
Dist. restrs. and SS energy: -36.000 (S_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: 408
Temperature: 1.300000
Total energy: -270.766785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.766785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.566785 (E_RNA)
where:
Base-Base interactions energy: -151.129
where: short stacking energy: -65.928
Base-Backbone interact. energy: -0.570
local terms energy: -84.867464
where:
bonds (distance) C4'-P energy: -19.294
bonds (distance) P-C4' energy: -15.397
flat angles C4'-P-C4' energy: -18.217
flat angles P-C4'-P energy: -16.449
tors. eta vs tors. theta energy: -15.511
Dist. restrs. and SS energy: -34.200 (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: 2
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -280.056358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.056358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.856358 (E_RNA)
where:
Base-Base interactions energy: -157.830
where: short stacking energy: -66.013
Base-Backbone interact. energy: -0.384
local terms energy: -78.642513
where:
bonds (distance) C4'-P energy: -11.081
bonds (distance) P-C4' energy: -17.547
flat angles C4'-P-C4' energy: -25.129
flat angles P-C4'-P energy: -12.178
tors. eta vs tors. theta energy: -12.708
Dist. restrs. and SS energy: -43.200 (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: 7
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -405.932294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.932294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.332294 (E_RNA)
where:
Base-Base interactions energy: -246.824
where: short stacking energy: -91.801
Base-Backbone interact. energy: -0.624
local terms energy: -109.884577
where:
bonds (distance) C4'-P energy: -23.833
bonds (distance) P-C4' energy: -20.648
flat angles C4'-P-C4' energy: -20.738
flat angles P-C4'-P energy: -15.831
tors. eta vs tors. theta energy: -28.835
Dist. restrs. and SS energy: -48.600 (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: 10
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -398.923981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.923981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.523981 (E_RNA)
where:
Base-Base interactions energy: -246.854
where: short stacking energy: -90.744
Base-Backbone interact. energy: -1.530
local terms energy: -100.140146
where:
bonds (distance) C4'-P energy: -21.914
bonds (distance) P-C4' energy: -23.438
flat angles C4'-P-C4' energy: -13.148
flat angles P-C4'-P energy: -17.149
tors. eta vs tors. theta energy: -24.493
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -391.698963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.698963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.298963 (E_RNA)
where:
Base-Base interactions energy: -233.538
where: short stacking energy: -89.841
Base-Backbone interact. energy: -1.004
local terms energy: -106.756917
where:
bonds (distance) C4'-P energy: -23.386
bonds (distance) P-C4' energy: -18.809
flat angles C4'-P-C4' energy: -22.713
flat angles P-C4'-P energy: -18.044
tors. eta vs tors. theta energy: -23.806
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -370.244182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.244182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.644182 (E_RNA)
where:
Base-Base interactions energy: -219.869
where: short stacking energy: -91.275
Base-Backbone interact. energy: -0.392
local terms energy: -101.383967
where:
bonds (distance) C4'-P energy: -16.898
bonds (distance) P-C4' energy: -26.924
flat angles C4'-P-C4' energy: -25.730
flat angles P-C4'-P energy: -10.758
tors. eta vs tors. theta energy: -21.073
Dist. restrs. and SS energy: -48.600 (S_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: 409
Temperature: 1.100000
Total energy: -335.456442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.456442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.456442 (E_RNA)
where:
Base-Base interactions energy: -179.512
where: short stacking energy: -95.582
Base-Backbone interact. energy: -0.256
local terms energy: -119.688460
where:
bonds (distance) C4'-P energy: -24.702
bonds (distance) P-C4' energy: -23.583
flat angles C4'-P-C4' energy: -25.161
flat angles P-C4'-P energy: -18.614
tors. eta vs tors. theta energy: -27.629
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -338.862825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.862825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.862825 (E_RNA)
where:
Base-Base interactions energy: -201.586
where: short stacking energy: -83.910
Base-Backbone interact. energy: -0.201
local terms energy: -101.076220
where:
bonds (distance) C4'-P energy: -20.425
bonds (distance) P-C4' energy: -24.004
flat angles C4'-P-C4' energy: -21.711
flat angles P-C4'-P energy: -12.759
tors. eta vs tors. theta energy: -22.177
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. 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: -269.178010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.178010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.178010 (E_RNA)
where:
Base-Base interactions energy: -141.905
where: short stacking energy: -71.193
Base-Backbone interact. energy: -1.772
local terms energy: -89.500673
where:
bonds (distance) C4'-P energy: -13.394
bonds (distance) P-C4' energy: -18.275
flat angles C4'-P-C4' energy: -23.584
flat angles P-C4'-P energy: -12.132
tors. eta vs tors. theta energy: -22.115
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -275.367281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.367281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.367281 (E_RNA)
where:
Base-Base interactions energy: -158.922
where: short stacking energy: -71.073
Base-Backbone interact. energy: -0.050
local terms energy: -80.395555
where:
bonds (distance) C4'-P energy: -16.015
bonds (distance) P-C4' energy: -16.787
flat angles C4'-P-C4' energy: -18.876
flat angles P-C4'-P energy: -12.109
tors. eta vs tors. theta energy: -16.609
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -267.668567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.668567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.468567 (E_RNA)
where:
Base-Base interactions energy: -151.753
where: short stacking energy: -65.140
Base-Backbone interact. energy: -0.693
local terms energy: -81.022747
where:
bonds (distance) C4'-P energy: -18.368
bonds (distance) P-C4' energy: -17.226
flat angles C4'-P-C4' energy: -21.780
flat angles P-C4'-P energy: -15.174
tors. eta vs tors. theta energy: -8.475
Dist. restrs. and SS energy: -34.200 (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: 2
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -280.091021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.091021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.691021 (E_RNA)
where:
Base-Base interactions energy: -141.615
where: short stacking energy: -53.355
Base-Backbone interact. energy: -1.355
local terms energy: -86.720866
where:
bonds (distance) C4'-P energy: -18.376
bonds (distance) P-C4' energy: -21.766
flat angles C4'-P-C4' energy: -21.149
flat angles P-C4'-P energy: -13.456
tors. eta vs tors. theta energy: -11.975
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -413.331866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.331866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.731866 (E_RNA)
where:
Base-Base interactions energy: -252.209
where: short stacking energy: -101.114
Base-Backbone interact. energy: -0.492
local terms energy: -112.031052
where:
bonds (distance) C4'-P energy: -22.205
bonds (distance) P-C4' energy: -20.592
flat angles C4'-P-C4' energy: -22.340
flat angles P-C4'-P energy: -17.693
tors. eta vs tors. theta energy: -29.201
Dist. restrs. and SS energy: -48.600 (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: 10
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -407.903629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.903629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.503629 (E_RNA)
where:
Base-Base interactions energy: -251.000
where: short stacking energy: -102.772
Base-Backbone interact. energy: -1.130
local terms energy: -105.374323
where:
bonds (distance) C4'-P energy: -22.946
bonds (distance) P-C4' energy: -18.667
flat angles C4'-P-C4' energy: -19.627
flat angles P-C4'-P energy: -17.687
tors. eta vs tors. theta energy: -26.446
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -401.299451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.299451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.899451 (E_RNA)
where:
Base-Base interactions energy: -242.973
where: short stacking energy: -85.269
Base-Backbone interact. energy: -1.156
local terms energy: -106.770056
where:
bonds (distance) C4'-P energy: -23.558
bonds (distance) P-C4' energy: -23.965
flat angles C4'-P-C4' energy: -27.725
flat angles P-C4'-P energy: -5.731
tors. eta vs tors. theta energy: -25.792
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -376.777083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.777083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.377083 (E_RNA)
where:
Base-Base interactions energy: -223.802
where: short stacking energy: -85.019
Base-Backbone interact. energy: -0.874
local terms energy: -101.700780
where:
bonds (distance) C4'-P energy: -18.558
bonds (distance) P-C4' energy: -24.611
flat angles C4'-P-C4' energy: -21.986
flat angles P-C4'-P energy: -13.253
tors. eta vs tors. theta energy: -23.293
Dist. restrs. and SS energy: -50.400 (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: 9
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -322.151018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.151018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.151018 (E_RNA)
where:
Base-Base interactions energy: -186.466
where: short stacking energy: -77.175
Base-Backbone interact. energy: 2.030
local terms energy: -101.714569
where:
bonds (distance) C4'-P energy: -21.402
bonds (distance) P-C4' energy: -20.446
flat angles C4'-P-C4' energy: -22.680
flat angles P-C4'-P energy: -11.958
tors. eta vs tors. theta energy: -25.229
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -304.984106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.984106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.984106 (E_RNA)
where:
Base-Base interactions energy: -167.440
where: short stacking energy: -71.949
Base-Backbone interact. energy: -0.319
local terms energy: -101.224844
where:
bonds (distance) C4'-P energy: -25.484
bonds (distance) P-C4' energy: -19.643
flat angles C4'-P-C4' energy: -21.546
flat angles P-C4'-P energy: -16.938
tors. eta vs tors. theta energy: -17.614
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -285.599763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.599763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.599763 (E_RNA)
where:
Base-Base interactions energy: -170.986
where: short stacking energy: -77.185
Base-Backbone interact. energy: -0.443
local terms energy: -78.170152
where:
bonds (distance) C4'-P energy: -15.491
bonds (distance) P-C4' energy: -16.159
flat angles C4'-P-C4' energy: -22.326
flat angles P-C4'-P energy: -8.646
tors. eta vs tors. theta energy: -15.548
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. 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: -280.540016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.540016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.540016 (E_RNA)
where:
Base-Base interactions energy: -160.264
where: short stacking energy: -64.364
Base-Backbone interact. energy: -0.079
local terms energy: -84.197699
where:
bonds (distance) C4'-P energy: -19.544
bonds (distance) P-C4' energy: -19.967
flat angles C4'-P-C4' energy: -13.259
flat angles P-C4'-P energy: -12.242
tors. eta vs tors. theta energy: -19.185
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -274.870389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.870389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.870389 (E_RNA)
where:
Base-Base interactions energy: -156.038
where: short stacking energy: -74.504
Base-Backbone interact. energy: 0.124
local terms energy: -82.956340
where:
bonds (distance) C4'-P energy: -16.090
bonds (distance) P-C4' energy: -19.083
flat angles C4'-P-C4' energy: -15.688
flat angles P-C4'-P energy: -14.154
tors. eta vs tors. theta energy: -17.941
Dist. restrs. and SS energy: -36.000 (S_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: 410
Temperature: 1.350000
Total energy: -249.320644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.320644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.320644 (E_RNA)
where:
Base-Base interactions energy: -136.425
where: short stacking energy: -68.000
Base-Backbone interact. energy: 0.469
local terms energy: -77.363994
where:
bonds (distance) C4'-P energy: -16.554
bonds (distance) P-C4' energy: -22.963
flat angles C4'-P-C4' energy: -22.174
flat angles P-C4'-P energy: -10.668
tors. eta vs tors. theta energy: -5.004
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -419.206637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.206637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.806637 (E_RNA)
where:
Base-Base interactions energy: -253.104
where: short stacking energy: -89.870
Base-Backbone interact. energy: -0.414
local terms energy: -115.288343
where:
bonds (distance) C4'-P energy: -26.716
bonds (distance) P-C4' energy: -24.133
flat angles C4'-P-C4' energy: -21.513
flat angles P-C4'-P energy: -15.972
tors. eta vs tors. theta energy: -26.955
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -404.382880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.382880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.982880 (E_RNA)
where:
Base-Base interactions energy: -241.429
where: short stacking energy: -91.010
Base-Backbone interact. energy: -0.587
local terms energy: -111.966849
where:
bonds (distance) C4'-P energy: -21.473
bonds (distance) P-C4' energy: -24.946
flat angles C4'-P-C4' energy: -25.688
flat angles P-C4'-P energy: -14.019
tors. eta vs tors. theta energy: -25.841
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -390.070819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.070819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.670819 (E_RNA)
where:
Base-Base interactions energy: -224.759
where: short stacking energy: -86.644
Base-Backbone interact. energy: -0.600
local terms energy: -114.312031
where:
bonds (distance) C4'-P energy: -20.230
bonds (distance) P-C4' energy: -27.714
flat angles C4'-P-C4' energy: -22.092
flat angles P-C4'-P energy: -20.642
tors. eta vs tors. theta energy: -23.634
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -378.687303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.687303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.287303 (E_RNA)
where:
Base-Base interactions energy: -228.381
where: short stacking energy: -88.131
Base-Backbone interact. energy: -1.277
local terms energy: -98.629086
where:
bonds (distance) C4'-P energy: -24.368
bonds (distance) P-C4' energy: -21.197
flat angles C4'-P-C4' energy: -16.895
flat angles P-C4'-P energy: -13.750
tors. eta vs tors. theta energy: -22.418
Dist. restrs. and SS energy: -50.400 (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: 9
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -302.543872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.543872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.343872 (E_RNA)
where:
Base-Base interactions energy: -170.228
where: short stacking energy: -79.522
Base-Backbone interact. energy: -0.236
local terms energy: -97.880115
where:
bonds (distance) C4'-P energy: -25.843
bonds (distance) P-C4' energy: -19.114
flat angles C4'-P-C4' energy: -23.268
flat angles P-C4'-P energy: -11.704
tors. eta vs tors. theta energy: -17.951
Dist. restrs. and SS energy: -34.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -298.956533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.956533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.956533 (E_RNA)
where:
Base-Base interactions energy: -175.672
where: short stacking energy: -70.424
Base-Backbone interact. energy: -0.708
local terms energy: -86.577316
where:
bonds (distance) C4'-P energy: -19.059
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -21.575
flat angles P-C4'-P energy: -11.339
tors. eta vs tors. theta energy: -17.753
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -301.320022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.320022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.720022 (E_RNA)
where:
Base-Base interactions energy: -178.269
where: short stacking energy: -83.969
Base-Backbone interact. energy: -0.169
local terms energy: -92.281847
where:
bonds (distance) C4'-P energy: -16.040
bonds (distance) P-C4' energy: -23.701
flat angles C4'-P-C4' energy: -20.532
flat angles P-C4'-P energy: -12.780
tors. eta vs tors. theta energy: -19.229
Dist. restrs. and SS energy: -30.600 (S_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: 411
Temperature: 1.250000
Total energy: -290.529210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.529210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.529210 (E_RNA)
where:
Base-Base interactions energy: -167.743
where: short stacking energy: -83.113
Base-Backbone interact. energy: -0.235
local terms energy: -86.551298
where:
bonds (distance) C4'-P energy: -13.661
bonds (distance) P-C4' energy: -19.543
flat angles C4'-P-C4' energy: -19.648
flat angles P-C4'-P energy: -9.213
tors. eta vs tors. theta energy: -24.486
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. 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: -255.084045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.084045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.084045 (E_RNA)
where:
Base-Base interactions energy: -147.271
where: short stacking energy: -66.382
Base-Backbone interact. energy: 0.158
local terms energy: -71.971656
where:
bonds (distance) C4'-P energy: -16.614
bonds (distance) P-C4' energy: -15.351
flat angles C4'-P-C4' energy: -14.797
flat angles P-C4'-P energy: -14.155
tors. eta vs tors. theta energy: -11.055
Dist. restrs. and SS energy: -36.000 (S_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: 411
Temperature: 1.350000
Total energy: -260.942508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.942508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.742508 (E_RNA)
where:
Base-Base interactions energy: -147.526
where: short stacking energy: -66.112
Base-Backbone interact. energy: 0.096
local terms energy: -79.313123
where:
bonds (distance) C4'-P energy: -12.227
bonds (distance) P-C4' energy: -21.636
flat angles C4'-P-C4' energy: -21.275
flat angles P-C4'-P energy: -10.579
tors. eta vs tors. theta energy: -13.596
Dist. restrs. and SS energy: -34.200 (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: 7
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -415.468703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.468703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.068703 (E_RNA)
where:
Base-Base interactions energy: -248.985
where: short stacking energy: -101.809
Base-Backbone interact. energy: -0.504
local terms energy: -115.579384
where:
bonds (distance) C4'-P energy: -24.771
bonds (distance) P-C4' energy: -16.784
flat angles C4'-P-C4' energy: -28.211
flat angles P-C4'-P energy: -18.028
tors. eta vs tors. theta energy: -27.786
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -395.733047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.733047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.333047 (E_RNA)
where:
Base-Base interactions energy: -247.691
where: short stacking energy: -86.563
Base-Backbone interact. energy: 2.402
local terms energy: -100.044004
where:
bonds (distance) C4'-P energy: -16.713
bonds (distance) P-C4' energy: -22.116
flat angles C4'-P-C4' energy: -23.127
flat angles P-C4'-P energy: -16.412
tors. eta vs tors. theta energy: -21.676
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -390.388302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.388302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.988302 (E_RNA)
where:
Base-Base interactions energy: -235.856
where: short stacking energy: -101.748
Base-Backbone interact. energy: -0.934
local terms energy: -103.198575
where:
bonds (distance) C4'-P energy: -18.019
bonds (distance) P-C4' energy: -20.811
flat angles C4'-P-C4' energy: -24.293
flat angles P-C4'-P energy: -13.878
tors. eta vs tors. theta energy: -26.197
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -387.366412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.366412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.766412 (E_RNA)
where:
Base-Base interactions energy: -231.680
where: short stacking energy: -87.140
Base-Backbone interact. energy: -1.165
local terms energy: -105.921478
where:
bonds (distance) C4'-P energy: -19.540
bonds (distance) P-C4' energy: -23.281
flat angles C4'-P-C4' energy: -19.093
flat angles P-C4'-P energy: -18.560
tors. eta vs tors. theta energy: -25.448
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -316.978035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.978035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.978035 (E_RNA)
where:
Base-Base interactions energy: -179.232
where: short stacking energy: -87.332
Base-Backbone interact. energy: 0.004
local terms energy: -101.750189
where:
bonds (distance) C4'-P energy: -23.338
bonds (distance) P-C4' energy: -21.116
flat angles C4'-P-C4' energy: -22.475
flat angles P-C4'-P energy: -7.997
tors. eta vs tors. theta energy: -26.824
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -304.486995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.486995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.486995 (E_RNA)
where:
Base-Base interactions energy: -169.539
where: short stacking energy: -80.645
Base-Backbone interact. energy: -0.476
local terms energy: -98.472153
where:
bonds (distance) C4'-P energy: -21.667
bonds (distance) P-C4' energy: -23.004
flat angles C4'-P-C4' energy: -18.150
flat angles P-C4'-P energy: -16.974
tors. eta vs tors. theta energy: -18.677
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -296.661360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.661360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.661360 (E_RNA)
where:
Base-Base interactions energy: -172.648
where: short stacking energy: -75.323
Base-Backbone interact. energy: -0.132
local terms energy: -87.881341
where:
bonds (distance) C4'-P energy: -17.916
bonds (distance) P-C4' energy: -18.603
flat angles C4'-P-C4' energy: -22.708
flat angles P-C4'-P energy: -13.898
tors. eta vs tors. theta energy: -14.756
Dist. restrs. and SS energy: -36.000 (S_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: 412
Temperature: 1.250000
Total energy: -265.864916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.864916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.664916 (E_RNA)
where:
Base-Base interactions energy: -139.836
where: short stacking energy: -70.026
Base-Backbone interact. energy: 0.285
local terms energy: -92.114514
where:
bonds (distance) C4'-P energy: -18.245
bonds (distance) P-C4' energy: -20.243
flat angles C4'-P-C4' energy: -23.718
flat angles P-C4'-P energy: -12.126
tors. eta vs tors. theta energy: -17.782
Dist. restrs. and SS energy: -34.200 (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: 3
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -265.906289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.906289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.906289 (E_RNA)
where:
Base-Base interactions energy: -152.746
where: short stacking energy: -58.158
Base-Backbone interact. energy: -0.832
local terms energy: -76.328451
where:
bonds (distance) C4'-P energy: -11.197
bonds (distance) P-C4' energy: -18.954
flat angles C4'-P-C4' energy: -18.130
flat angles P-C4'-P energy: -15.658
tors. eta vs tors. theta energy: -12.389
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. 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: -261.702096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.702096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.702096 (E_RNA)
where:
Base-Base interactions energy: -134.526
where: short stacking energy: -66.722
Base-Backbone interact. energy: -0.858
local terms energy: -90.318268
where:
bonds (distance) C4'-P energy: -21.096
bonds (distance) P-C4' energy: -21.535
flat angles C4'-P-C4' energy: -24.444
flat angles P-C4'-P energy: -7.350
tors. eta vs tors. theta energy: -15.894
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -420.139188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.139188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.739188 (E_RNA)
where:
Base-Base interactions energy: -256.038
where: short stacking energy: -98.394
Base-Backbone interact. energy: -0.676
local terms energy: -113.025066
where:
bonds (distance) C4'-P energy: -16.653
bonds (distance) P-C4' energy: -22.142
flat angles C4'-P-C4' energy: -24.035
flat angles P-C4'-P energy: -20.971
tors. eta vs tors. theta energy: -29.224
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -409.730831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.730831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.730831 (E_RNA)
where:
Base-Base interactions energy: -250.326
where: short stacking energy: -103.678
Base-Backbone interact. energy: -0.495
local terms energy: -113.909968
where:
bonds (distance) C4'-P energy: -21.493
bonds (distance) P-C4' energy: -19.466
flat angles C4'-P-C4' energy: -25.506
flat angles P-C4'-P energy: -19.729
tors. eta vs tors. theta energy: -27.716
Dist. restrs. and SS energy: -45.000 (S_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: 413
Temperature: 1.000000
Total energy: -397.558850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.558850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.158850 (E_RNA)
where:
Base-Base interactions energy: -238.251
where: short stacking energy: -86.990
Base-Backbone interact. energy: -1.392
local terms energy: -107.515412
where:
bonds (distance) C4'-P energy: -18.616
bonds (distance) P-C4' energy: -25.716
flat angles C4'-P-C4' energy: -23.863
flat angles P-C4'-P energy: -16.906
tors. eta vs tors. theta energy: -22.415
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -385.082987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.082987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.682987 (E_RNA)
where:
Base-Base interactions energy: -233.901
where: short stacking energy: -90.039
Base-Backbone interact. energy: -1.292
local terms energy: -99.489877
where:
bonds (distance) C4'-P energy: -26.179
bonds (distance) P-C4' energy: -24.156
flat angles C4'-P-C4' energy: -10.578
flat angles P-C4'-P energy: -12.468
tors. eta vs tors. theta energy: -26.109
Dist. restrs. and SS energy: -50.400 (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: 6
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -301.470249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.470249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.870249 (E_RNA)
where:
Base-Base interactions energy: -184.940
where: short stacking energy: -88.165
Base-Backbone interact. energy: -0.266
local terms energy: -85.664135
where:
bonds (distance) C4'-P energy: -12.321
bonds (distance) P-C4' energy: -19.152
flat angles C4'-P-C4' energy: -18.481
flat angles P-C4'-P energy: -14.336
tors. eta vs tors. theta energy: -21.374
Dist. restrs. and SS energy: -30.600 (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: 4
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -296.405489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.405489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.405489 (E_RNA)
where:
Base-Base interactions energy: -164.798
where: short stacking energy: -73.133
Base-Backbone interact. energy: 0.674
local terms energy: -96.281324
where:
bonds (distance) C4'-P energy: -24.321
bonds (distance) P-C4' energy: -15.190
flat angles C4'-P-C4' energy: -23.648
flat angles P-C4'-P energy: -13.220
tors. eta vs tors. theta energy: -19.903
Dist. restrs. and SS energy: -36.000 (S_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: 413
Temperature: 1.200000
Total energy: -280.446177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.446177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.046177 (E_RNA)
where:
Base-Base interactions energy: -152.558
where: short stacking energy: -78.216
Base-Backbone interact. energy: -0.128
local terms energy: -95.359944
where:
bonds (distance) C4'-P energy: -24.275
bonds (distance) P-C4' energy: -19.085
flat angles C4'-P-C4' energy: -20.266
flat angles P-C4'-P energy: -12.690
tors. eta vs tors. theta energy: -19.043
Dist. restrs. and SS energy: -32.400 (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: 413
Temperature: 1.250000
Total energy: -274.352494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.352494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.352494 (E_RNA)
where:
Base-Base interactions energy: -160.663
where: short stacking energy: -76.883
Base-Backbone interact. energy: -0.256
local terms energy: -77.433148
where:
bonds (distance) C4'-P energy: -15.052
bonds (distance) P-C4' energy: -21.632
flat angles C4'-P-C4' energy: -21.980
flat angles P-C4'-P energy: -4.506
tors. eta vs tors. theta energy: -14.263
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -273.489792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.489792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.289792 (E_RNA)
where:
Base-Base interactions energy: -154.001
where: short stacking energy: -67.250
Base-Backbone interact. energy: -0.347
local terms energy: -84.941433
where:
bonds (distance) C4'-P energy: -16.715
bonds (distance) P-C4' energy: -18.414
flat angles C4'-P-C4' energy: -24.444
flat angles P-C4'-P energy: -10.768
tors. eta vs tors. theta energy: -14.602
Dist. restrs. and SS energy: -34.200 (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: 8
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -237.547590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.547590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.347590 (E_RNA)
where:
Base-Base interactions energy: -127.873
where: short stacking energy: -58.811
Base-Backbone interact. energy: -0.349
local terms energy: -75.125919
where:
bonds (distance) C4'-P energy: -14.392
bonds (distance) P-C4' energy: -22.864
flat angles C4'-P-C4' energy: -16.847
flat angles P-C4'-P energy: -11.615
tors. eta vs tors. theta energy: -9.408
Dist. restrs. and SS energy: -34.200 (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: 7
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -419.184013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.184013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.584013 (E_RNA)
where:
Base-Base interactions energy: -252.174
where: short stacking energy: -101.052
Base-Backbone interact. energy: -1.186
local terms energy: -117.224036
where:
bonds (distance) C4'-P energy: -25.331
bonds (distance) P-C4' energy: -22.726
flat angles C4'-P-C4' energy: -22.440
flat angles P-C4'-P energy: -20.153
tors. eta vs tors. theta energy: -26.574
Dist. restrs. and SS energy: -48.600 (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: 10
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -401.030533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.030533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.630533 (E_RNA)
where:
Base-Base interactions energy: -229.892
where: short stacking energy: -92.975
Base-Backbone interact. energy: -0.894
local terms energy: -119.844806
where:
bonds (distance) C4'-P energy: -25.099
bonds (distance) P-C4' energy: -24.923
flat angles C4'-P-C4' energy: -24.283
flat angles P-C4'-P energy: -17.218
tors. eta vs tors. theta energy: -28.321
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -394.383120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.383120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.983120 (E_RNA)
where:
Base-Base interactions energy: -240.445
where: short stacking energy: -98.498
Base-Backbone interact. energy: 1.770
local terms energy: -105.308695
where:
bonds (distance) C4'-P energy: -19.519
bonds (distance) P-C4' energy: -23.262
flat angles C4'-P-C4' energy: -22.272
flat angles P-C4'-P energy: -13.543
tors. eta vs tors. theta energy: -26.713
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -382.343363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.343363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.543363 (E_RNA)
where:
Base-Base interactions energy: -232.662
where: short stacking energy: -86.946
Base-Backbone interact. energy: -1.477
local terms energy: -101.404409
where:
bonds (distance) C4'-P energy: -18.015
bonds (distance) P-C4' energy: -17.831
flat angles C4'-P-C4' energy: -25.861
flat angles P-C4'-P energy: -15.761
tors. eta vs tors. theta energy: -23.936
Dist. restrs. and SS energy: -46.800 (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: 4
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -315.550459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.550459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.550459 (E_RNA)
where:
Base-Base interactions energy: -179.273
where: short stacking energy: -94.342
Base-Backbone interact. energy: -0.048
local terms energy: -100.229658
where:
bonds (distance) C4'-P energy: -20.673
bonds (distance) P-C4' energy: -19.526
flat angles C4'-P-C4' energy: -21.166
flat angles P-C4'-P energy: -15.239
tors. eta vs tors. theta energy: -23.626
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -306.573498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.573498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.573498 (E_RNA)
where:
Base-Base interactions energy: -181.346
where: short stacking energy: -78.741
Base-Backbone interact. energy: -0.612
local terms energy: -88.615640
where:
bonds (distance) C4'-P energy: -16.568
bonds (distance) P-C4' energy: -17.256
flat angles C4'-P-C4' energy: -20.813
flat angles P-C4'-P energy: -16.730
tors. eta vs tors. theta energy: -17.249
Dist. restrs. and SS energy: -36.000 (S_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: 414
Temperature: 1.200000
Total energy: -275.718826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.718826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.718826 (E_RNA)
where:
Base-Base interactions energy: -164.897
where: short stacking energy: -57.452
Base-Backbone interact. energy: -0.690
local terms energy: -74.131954
where:
bonds (distance) C4'-P energy: -19.047
bonds (distance) P-C4' energy: -15.316
flat angles C4'-P-C4' energy: -20.387
flat angles P-C4'-P energy: -13.010
tors. eta vs tors. theta energy: -6.372
Dist. restrs. and SS energy: -36.000 (S_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: 414
Temperature: 1.250000
Total energy: -282.466731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.466731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.666731 (E_RNA)
where:
Base-Base interactions energy: -159.451
where: short stacking energy: -80.955
Base-Backbone interact. energy: -0.434
local terms energy: -84.781613
where:
bonds (distance) C4'-P energy: -15.273
bonds (distance) P-C4' energy: -23.032
flat angles C4'-P-C4' energy: -18.648
flat angles P-C4'-P energy: -8.134
tors. eta vs tors. theta energy: -19.695
Dist. restrs. and SS energy: -37.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -284.448506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.448506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.448506 (E_RNA)
where:
Base-Base interactions energy: -153.721
where: short stacking energy: -72.648
Base-Backbone interact. energy: -0.388
local terms energy: -94.339902
where:
bonds (distance) C4'-P energy: -18.037
bonds (distance) P-C4' energy: -20.866
flat angles C4'-P-C4' energy: -23.659
flat angles P-C4'-P energy: -14.633
tors. eta vs tors. theta energy: -17.145
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -271.123024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.123024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.923024 (E_RNA)
where:
Base-Base interactions energy: -159.998
where: short stacking energy: -59.150
Base-Backbone interact. energy: -0.128
local terms energy: -76.796989
where:
bonds (distance) C4'-P energy: -18.551
bonds (distance) P-C4' energy: -19.872
flat angles C4'-P-C4' energy: -10.135
flat angles P-C4'-P energy: -14.058
tors. eta vs tors. theta energy: -14.181
Dist. restrs. and SS energy: -34.200 (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: 7
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -419.720366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.720366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.320366 (E_RNA)
where:
Base-Base interactions energy: -254.845
where: short stacking energy: -96.968
Base-Backbone interact. energy: -0.607
local terms energy: -113.868441
where:
bonds (distance) C4'-P energy: -22.785
bonds (distance) P-C4' energy: -22.945
flat angles C4'-P-C4' energy: -24.399
flat angles P-C4'-P energy: -17.081
tors. eta vs tors. theta energy: -26.659
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -404.806831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.806831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.406831 (E_RNA)
where:
Base-Base interactions energy: -242.908
where: short stacking energy: -95.321
Base-Backbone interact. energy: -0.452
local terms energy: -111.047420
where:
bonds (distance) C4'-P energy: -20.416
bonds (distance) P-C4' energy: -26.333
flat angles C4'-P-C4' energy: -25.524
flat angles P-C4'-P energy: -14.542
tors. eta vs tors. theta energy: -24.233
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -385.253935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.253935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.853935 (E_RNA)
where:
Base-Base interactions energy: -232.457
where: short stacking energy: -102.664
Base-Backbone interact. energy: 0.034
local terms energy: -102.431125
where:
bonds (distance) C4'-P energy: -21.689
bonds (distance) P-C4' energy: -17.049
flat angles C4'-P-C4' energy: -21.845
flat angles P-C4'-P energy: -13.903
tors. eta vs tors. theta energy: -27.945
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -371.678522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.678522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.278522 (E_RNA)
where:
Base-Base interactions energy: -213.839
where: short stacking energy: -77.194
Base-Backbone interact. energy: -2.140
local terms energy: -105.299600
where:
bonds (distance) C4'-P energy: -22.976
bonds (distance) P-C4' energy: -22.415
flat angles C4'-P-C4' energy: -22.846
flat angles P-C4'-P energy: -17.249
tors. eta vs tors. theta energy: -19.814
Dist. restrs. and SS energy: -50.400 (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: 4
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -317.875143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.875143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.875143 (E_RNA)
where:
Base-Base interactions energy: -191.590
where: short stacking energy: -79.357
Base-Backbone interact. energy: -0.365
local terms energy: -89.919887
where:
bonds (distance) C4'-P energy: -11.732
bonds (distance) P-C4' energy: -22.150
flat angles C4'-P-C4' energy: -22.167
flat angles P-C4'-P energy: -12.095
tors. eta vs tors. theta energy: -21.775
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -303.569421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.569421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.969421 (E_RNA)
where:
Base-Base interactions energy: -175.467
where: short stacking energy: -73.170
Base-Backbone interact. energy: -0.351
local terms energy: -97.150611
where:
bonds (distance) C4'-P energy: -21.154
bonds (distance) P-C4' energy: -24.367
flat angles C4'-P-C4' energy: -23.496
flat angles P-C4'-P energy: -12.482
tors. eta vs tors. theta energy: -15.652
Dist. restrs. and SS energy: -30.600 (S_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: 415
Temperature: 1.200000
Total energy: -274.691902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.691902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.691902 (E_RNA)
where:
Base-Base interactions energy: -159.253
where: short stacking energy: -69.170
Base-Backbone interact. energy: -0.251
local terms energy: -79.187902
where:
bonds (distance) C4'-P energy: -10.113
bonds (distance) P-C4' energy: -18.676
flat angles C4'-P-C4' energy: -23.477
flat angles P-C4'-P energy: -17.076
tors. eta vs tors. theta energy: -9.847
Dist. restrs. and SS energy: -36.000 (S_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: 415
Temperature: 1.250000
Total energy: -256.755385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.755385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.355385 (E_RNA)
where:
Base-Base interactions energy: -138.730
where: short stacking energy: -67.948
Base-Backbone interact. energy: 0.031
local terms energy: -85.656232
where:
bonds (distance) C4'-P energy: -24.755
bonds (distance) P-C4' energy: -17.762
flat angles C4'-P-C4' energy: -16.813
flat angles P-C4'-P energy: -14.078
tors. eta vs tors. theta energy: -12.248
Dist. restrs. and SS energy: -32.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -257.622005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.622005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.622005 (E_RNA)
where:
Base-Base interactions energy: -140.740
where: short stacking energy: -71.156
Base-Backbone interact. energy: 0.129
local terms energy: -81.010369
where:
bonds (distance) C4'-P energy: -23.336
bonds (distance) P-C4' energy: -18.287
flat angles C4'-P-C4' energy: -19.096
flat angles P-C4'-P energy: -11.983
tors. eta vs tors. theta energy: -8.308
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -282.040619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.040619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.040619 (E_RNA)
where:
Base-Base interactions energy: -165.532
where: short stacking energy: -56.317
Base-Backbone interact. energy: -0.262
local terms energy: -80.246500
where:
bonds (distance) C4'-P energy: -14.903
bonds (distance) P-C4' energy: -20.732
flat angles C4'-P-C4' energy: -16.798
flat angles P-C4'-P energy: -13.008
tors. eta vs tors. theta energy: -14.806
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -418.852026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.852026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.452026 (E_RNA)
where:
Base-Base interactions energy: -247.433
where: short stacking energy: -93.319
Base-Backbone interact. energy: -0.669
local terms energy: -120.350129
where:
bonds (distance) C4'-P energy: -21.231
bonds (distance) P-C4' energy: -22.827
flat angles C4'-P-C4' energy: -27.597
flat angles P-C4'-P energy: -19.202
tors. eta vs tors. theta energy: -29.494
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -413.561274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.561274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.761274 (E_RNA)
where:
Base-Base interactions energy: -260.401
where: short stacking energy: -102.715
Base-Backbone interact. energy: -0.837
local terms energy: -105.523294
where:
bonds (distance) C4'-P energy: -24.805
bonds (distance) P-C4' energy: -23.689
flat angles C4'-P-C4' energy: -18.404
flat angles P-C4'-P energy: -12.413
tors. eta vs tors. theta energy: -26.213
Dist. restrs. and SS energy: -46.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -394.072564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.072564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.672564 (E_RNA)
where:
Base-Base interactions energy: -232.888
where: short stacking energy: -104.496
Base-Backbone interact. energy: -1.844
local terms energy: -108.941180
where:
bonds (distance) C4'-P energy: -25.095
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -27.018
flat angles P-C4'-P energy: -15.431
tors. eta vs tors. theta energy: -26.508
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -355.643622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.643622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.243622 (E_RNA)
where:
Base-Base interactions energy: -205.882
where: short stacking energy: -82.563
Base-Backbone interact. energy: -1.458
local terms energy: -97.903775
where:
bonds (distance) C4'-P energy: -24.905
bonds (distance) P-C4' energy: -23.205
flat angles C4'-P-C4' energy: -21.455
flat angles P-C4'-P energy: -6.708
tors. eta vs tors. theta energy: -21.632
Dist. restrs. and SS energy: -50.400 (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: 4
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -337.760446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.760446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.760446 (E_RNA)
where:
Base-Base interactions energy: -203.474
where: short stacking energy: -91.440
Base-Backbone interact. energy: -0.230
local terms energy: -98.056898
where:
bonds (distance) C4'-P energy: -15.264
bonds (distance) P-C4' energy: -22.330
flat angles C4'-P-C4' energy: -21.957
flat angles P-C4'-P energy: -13.668
tors. eta vs tors. theta energy: -24.837
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -275.887982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.887982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.887982 (E_RNA)
where:
Base-Base interactions energy: -142.678
where: short stacking energy: -74.121
Base-Backbone interact. energy: -0.103
local terms energy: -97.107473
where:
bonds (distance) C4'-P energy: -21.087
bonds (distance) P-C4' energy: -19.266
flat angles C4'-P-C4' energy: -25.379
flat angles P-C4'-P energy: -16.096
tors. eta vs tors. theta energy: -15.280
Dist. restrs. and SS energy: -36.000 (S_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: 416
Temperature: 1.200000
Total energy: -276.254229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.254229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.254229 (E_RNA)
where:
Base-Base interactions energy: -144.057
where: short stacking energy: -72.501
Base-Backbone interact. energy: -0.929
local terms energy: -95.268331
where:
bonds (distance) C4'-P energy: -13.387
bonds (distance) P-C4' energy: -24.317
flat angles C4'-P-C4' energy: -20.918
flat angles P-C4'-P energy: -19.243
tors. eta vs tors. theta energy: -17.404
Dist. restrs. and SS energy: -36.000 (S_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: 416
Temperature: 1.250000
Total energy: -272.501987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.501987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.501987 (E_RNA)
where:
Base-Base interactions energy: -148.657
where: short stacking energy: -68.046
Base-Backbone interact. energy: -0.422
local terms energy: -87.422625
where:
bonds (distance) C4'-P energy: -17.909
bonds (distance) P-C4' energy: -27.044
flat angles C4'-P-C4' energy: -15.610
flat angles P-C4'-P energy: -14.101
tors. eta vs tors. theta energy: -12.758
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. 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: -265.628778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.628778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.628778 (E_RNA)
where:
Base-Base interactions energy: -149.468
where: short stacking energy: -59.386
Base-Backbone interact. energy: 0.550
local terms energy: -80.710604
where:
bonds (distance) C4'-P energy: -22.302
bonds (distance) P-C4' energy: -21.543
flat angles C4'-P-C4' energy: -14.243
flat angles P-C4'-P energy: -8.502
tors. eta vs tors. theta energy: -14.120
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -245.668341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.668341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.668341 (E_RNA)
where:
Base-Base interactions energy: -129.780
where: short stacking energy: -64.259
Base-Backbone interact. energy: -0.018
local terms energy: -79.869855
where:
bonds (distance) C4'-P energy: -17.718
bonds (distance) P-C4' energy: -13.276
flat angles C4'-P-C4' energy: -21.973
flat angles P-C4'-P energy: -13.261
tors. eta vs tors. theta energy: -13.642
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -411.287559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.287559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.687559 (E_RNA)
where:
Base-Base interactions energy: -250.388
where: short stacking energy: -101.384
Base-Backbone interact. energy: 2.520
local terms energy: -114.819497
where:
bonds (distance) C4'-P energy: -18.974
bonds (distance) P-C4' energy: -25.920
flat angles C4'-P-C4' energy: -22.379
flat angles P-C4'-P energy: -15.401
tors. eta vs tors. theta energy: -32.146
Dist. restrs. and SS energy: -48.600 (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: 1
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -397.360186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.360186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.560186 (E_RNA)
where:
Base-Base interactions energy: -242.280
where: short stacking energy: -104.144
Base-Backbone interact. energy: -0.210
local terms energy: -108.070253
where:
bonds (distance) C4'-P energy: -23.757
bonds (distance) P-C4' energy: -16.628
flat angles C4'-P-C4' energy: -23.953
flat angles P-C4'-P energy: -16.597
tors. eta vs tors. theta energy: -27.135
Dist. restrs. and SS energy: -46.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -400.336601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.336601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.936601 (E_RNA)
where:
Base-Base interactions energy: -240.918
where: short stacking energy: -92.122
Base-Backbone interact. energy: -0.380
local terms energy: -108.638981
where:
bonds (distance) C4'-P energy: -25.431
bonds (distance) P-C4' energy: -20.178
flat angles C4'-P-C4' energy: -18.410
flat angles P-C4'-P energy: -17.474
tors. eta vs tors. theta energy: -27.146
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -359.793129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.793129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.393129 (E_RNA)
where:
Base-Base interactions energy: -215.820
where: short stacking energy: -79.716
Base-Backbone interact. energy: -0.231
local terms energy: -93.341711
where:
bonds (distance) C4'-P energy: -15.571
bonds (distance) P-C4' energy: -19.257
flat angles C4'-P-C4' energy: -22.074
flat angles P-C4'-P energy: -16.201
tors. eta vs tors. theta energy: -20.238
Dist. restrs. and SS energy: -50.400 (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: 4
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -341.369261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.369261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.369261 (E_RNA)
where:
Base-Base interactions energy: -214.281
where: short stacking energy: -91.813
Base-Backbone interact. energy: 0.409
local terms energy: -91.496430
where:
bonds (distance) C4'-P energy: -19.137
bonds (distance) P-C4' energy: -18.022
flat angles C4'-P-C4' energy: -19.507
flat angles P-C4'-P energy: -14.324
tors. eta vs tors. theta energy: -20.506
Dist. restrs. and SS energy: -36.000 (S_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: 417
Temperature: 1.150000
Total energy: -271.979189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.979189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.979189 (E_RNA)
where:
Base-Base interactions energy: -152.831
where: short stacking energy: -71.260
Base-Backbone interact. energy: -0.234
local terms energy: -82.914025
where:
bonds (distance) C4'-P energy: -15.954
bonds (distance) P-C4' energy: -23.862
flat angles C4'-P-C4' energy: -18.548
flat angles P-C4'-P energy: -11.116
tors. eta vs tors. theta energy: -13.434
Dist. restrs. and SS energy: -36.000 (S_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: 417
Temperature: 1.200000
Total energy: -271.539546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.539546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.539546 (E_RNA)
where:
Base-Base interactions energy: -139.467
where: short stacking energy: -63.128
Base-Backbone interact. energy: -0.020
local terms energy: -96.052741
where:
bonds (distance) C4'-P energy: -20.458
bonds (distance) P-C4' energy: -20.053
flat angles C4'-P-C4' energy: -22.146
flat angles P-C4'-P energy: -17.125
tors. eta vs tors. theta energy: -16.271
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -277.858291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.858291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.658291 (E_RNA)
where:
Base-Base interactions energy: -154.209
where: short stacking energy: -72.132
Base-Backbone interact. energy: -0.038
local terms energy: -89.410857
where:
bonds (distance) C4'-P energy: -13.505
bonds (distance) P-C4' energy: -20.141
flat angles C4'-P-C4' energy: -19.561
flat angles P-C4'-P energy: -20.773
tors. eta vs tors. theta energy: -15.430
Dist. restrs. and SS energy: -34.200 (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: 3
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -265.388637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.388637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.188637 (E_RNA)
where:
Base-Base interactions energy: -150.219
where: short stacking energy: -68.511
Base-Backbone interact. energy: -0.449
local terms energy: -80.521389
where:
bonds (distance) C4'-P energy: -22.922
bonds (distance) P-C4' energy: -24.232
flat angles C4'-P-C4' energy: -20.585
flat angles P-C4'-P energy: -4.819
tors. eta vs tors. theta energy: -7.963
Dist. restrs. and SS energy: -34.200 (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: 9
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -240.672994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.672994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.672994 (E_RNA)
where:
Base-Base interactions energy: -129.724
where: short stacking energy: -57.617
Base-Backbone interact. energy: -0.211
local terms energy: -74.738423
where:
bonds (distance) C4'-P energy: -11.405
bonds (distance) P-C4' energy: -17.674
flat angles C4'-P-C4' energy: -17.496
flat angles P-C4'-P energy: -15.107
tors. eta vs tors. theta energy: -13.056
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -415.959272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.959272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.559272 (E_RNA)
where:
Base-Base interactions energy: -252.526
where: short stacking energy: -103.253
Base-Backbone interact. energy: -0.832
local terms energy: -112.200894
where:
bonds (distance) C4'-P energy: -23.401
bonds (distance) P-C4' energy: -24.959
flat angles C4'-P-C4' energy: -25.502
flat angles P-C4'-P energy: -10.987
tors. eta vs tors. theta energy: -27.353
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -391.923560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.923560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.523560 (E_RNA)
where:
Base-Base interactions energy: -239.681
where: short stacking energy: -85.792
Base-Backbone interact. energy: -0.198
local terms energy: -101.644607
where:
bonds (distance) C4'-P energy: -22.097
bonds (distance) P-C4' energy: -24.363
flat angles C4'-P-C4' energy: -22.100
flat angles P-C4'-P energy: -10.361
tors. eta vs tors. theta energy: -22.723
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -399.403853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.403853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.603853 (E_RNA)
where:
Base-Base interactions energy: -249.926
where: short stacking energy: -88.019
Base-Backbone interact. energy: -0.531
local terms energy: -102.147162
where:
bonds (distance) C4'-P energy: -24.529
bonds (distance) P-C4' energy: -17.227
flat angles C4'-P-C4' energy: -18.722
flat angles P-C4'-P energy: -15.264
tors. eta vs tors. theta energy: -26.405
Dist. restrs. and SS energy: -46.800 (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: 5
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -350.337050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.337050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.937050 (E_RNA)
where:
Base-Base interactions energy: -204.689
where: short stacking energy: -85.672
Base-Backbone interact. energy: -0.811
local terms energy: -94.436601
where:
bonds (distance) C4'-P energy: -20.406
bonds (distance) P-C4' energy: -21.994
flat angles C4'-P-C4' energy: -22.225
flat angles P-C4'-P energy: -11.161
tors. eta vs tors. theta energy: -18.650
Dist. restrs. and SS energy: -50.400 (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: 4
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -317.759226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.759226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.759226 (E_RNA)
where:
Base-Base interactions energy: -179.201
where: short stacking energy: -91.352
Base-Backbone interact. energy: -0.513
local terms energy: -102.045764
where:
bonds (distance) C4'-P energy: -23.809
bonds (distance) P-C4' energy: -19.918
flat angles C4'-P-C4' energy: -17.430
flat angles P-C4'-P energy: -16.030
tors. eta vs tors. theta energy: -24.859
Dist. restrs. and SS energy: -36.000 (S_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: 418
Temperature: 1.150000
Total energy: -265.800678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.800678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.800678 (E_RNA)
where:
Base-Base interactions energy: -144.312
where: short stacking energy: -68.316
Base-Backbone interact. energy: -1.712
local terms energy: -83.776919
where:
bonds (distance) C4'-P energy: -21.036
bonds (distance) P-C4' energy: -23.437
flat angles C4'-P-C4' energy: -19.779
flat angles P-C4'-P energy: -14.674
tors. eta vs tors. theta energy: -4.852
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -287.024293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.024293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.024293 (E_RNA)
where:
Base-Base interactions energy: -165.970
where: short stacking energy: -65.944
Base-Backbone interact. energy: -0.125
local terms energy: -84.929095
where:
bonds (distance) C4'-P energy: -18.694
bonds (distance) P-C4' energy: -17.950
flat angles C4'-P-C4' energy: -19.789
flat angles P-C4'-P energy: -13.695
tors. eta vs tors. theta energy: -14.801
Dist. restrs. and SS energy: -36.000 (S_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: 418
Temperature: 1.250000
Total energy: -276.443544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.443544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.243544 (E_RNA)
where:
Base-Base interactions energy: -157.887
where: short stacking energy: -74.313
Base-Backbone interact. energy: 0.783
local terms energy: -85.139382
where:
bonds (distance) C4'-P energy: -20.252
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -21.182
flat angles P-C4'-P energy: -11.463
tors. eta vs tors. theta energy: -15.800
Dist. restrs. and SS energy: -34.200 (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: 9
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -250.712997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.712997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.512997 (E_RNA)
where:
Base-Base interactions energy: -136.694
where: short stacking energy: -58.165
Base-Backbone interact. energy: -0.145
local terms energy: -79.674687
where:
bonds (distance) C4'-P energy: -20.603
bonds (distance) P-C4' energy: -21.155
flat angles C4'-P-C4' energy: -20.917
flat angles P-C4'-P energy: -7.357
tors. eta vs tors. theta energy: -9.644
Dist. restrs. and SS energy: -34.200 (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: 3
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -263.733535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.733535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.733535 (E_RNA)
where:
Base-Base interactions energy: -135.248
where: short stacking energy: -64.483
Base-Backbone interact. energy: 0.450
local terms energy: -92.935028
where:
bonds (distance) C4'-P energy: -16.898
bonds (distance) P-C4' energy: -24.084
flat angles C4'-P-C4' energy: -25.578
flat angles P-C4'-P energy: -17.422
tors. eta vs tors. theta energy: -8.953
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -414.793248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.793248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.393248 (E_RNA)
where:
Base-Base interactions energy: -244.797
where: short stacking energy: -99.207
Base-Backbone interact. energy: -1.302
local terms energy: -118.294181
where:
bonds (distance) C4'-P energy: -25.790
bonds (distance) P-C4' energy: -22.490
flat angles C4'-P-C4' energy: -25.114
flat angles P-C4'-P energy: -17.516
tors. eta vs tors. theta energy: -27.384
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -403.974156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.974156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.374156 (E_RNA)
where:
Base-Base interactions energy: -244.065
where: short stacking energy: -97.960
Base-Backbone interact. energy: -0.738
local terms energy: -110.571746
where:
bonds (distance) C4'-P energy: -20.882
bonds (distance) P-C4' energy: -19.161
flat angles C4'-P-C4' energy: -21.991
flat angles P-C4'-P energy: -18.795
tors. eta vs tors. theta energy: -29.743
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -379.729669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.729669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.329669 (E_RNA)
where:
Base-Base interactions energy: -216.695
where: short stacking energy: -97.860
Base-Backbone interact. energy: -0.148
local terms energy: -112.487313
where:
bonds (distance) C4'-P energy: -24.263
bonds (distance) P-C4' energy: -24.135
flat angles C4'-P-C4' energy: -24.190
flat angles P-C4'-P energy: -16.638
tors. eta vs tors. theta energy: -23.262
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -356.848393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.848393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.448393 (E_RNA)
where:
Base-Base interactions energy: -204.337
where: short stacking energy: -84.330
Base-Backbone interact. energy: -1.007
local terms energy: -101.105082
where:
bonds (distance) C4'-P energy: -19.946
bonds (distance) P-C4' energy: -21.739
flat angles C4'-P-C4' energy: -25.019
flat angles P-C4'-P energy: -17.373
tors. eta vs tors. theta energy: -17.028
Dist. restrs. and SS energy: -50.400 (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: 4
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -336.558809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.558809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.558809 (E_RNA)
where:
Base-Base interactions energy: -197.166
where: short stacking energy: -89.758
Base-Backbone interact. energy: -0.049
local terms energy: -103.344195
where:
bonds (distance) C4'-P energy: -17.739
bonds (distance) P-C4' energy: -21.510
flat angles C4'-P-C4' energy: -23.924
flat angles P-C4'-P energy: -19.909
tors. eta vs tors. theta energy: -20.263
Dist. restrs. and SS energy: -36.000 (S_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: 419
Temperature: 1.150000
Total energy: -299.917556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.917556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.917556 (E_RNA)
where:
Base-Base interactions energy: -177.255
where: short stacking energy: -86.943
Base-Backbone interact. energy: -0.168
local terms energy: -86.494540
where:
bonds (distance) C4'-P energy: -15.891
bonds (distance) P-C4' energy: -20.513
flat angles C4'-P-C4' energy: -18.850
flat angles P-C4'-P energy: -18.405
tors. eta vs tors. theta energy: -12.835
Dist. restrs. and SS energy: -36.000 (S_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: 419
Temperature: 1.200000
Total energy: -283.145313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.145313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.145313 (E_RNA)
where:
Base-Base interactions energy: -161.669
where: short stacking energy: -77.662
Base-Backbone interact. energy: -0.350
local terms energy: -85.126193
where:
bonds (distance) C4'-P energy: -15.847
bonds (distance) P-C4' energy: -25.604
flat angles C4'-P-C4' energy: -15.048
flat angles P-C4'-P energy: -13.789
tors. eta vs tors. theta energy: -14.839
Dist. restrs. and SS energy: -36.000 (S_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: 419
Temperature: 1.250000
Total energy: -282.465207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.465207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.465207 (E_RNA)
where:
Base-Base interactions energy: -155.879
where: short stacking energy: -72.104
Base-Backbone interact. energy: -0.492
local terms energy: -90.094038
where:
bonds (distance) C4'-P energy: -21.005
bonds (distance) P-C4' energy: -19.771
flat angles C4'-P-C4' energy: -21.039
flat angles P-C4'-P energy: -10.852
tors. eta vs tors. theta energy: -17.427
Dist. restrs. and SS energy: -36.000 (S_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: 419
Temperature: 1.300000
Total energy: -275.063606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.063606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.063606 (E_RNA)
where:
Base-Base interactions energy: -151.980
where: short stacking energy: -74.856
Base-Backbone interact. energy: -0.110
local terms energy: -86.972976
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -14.176
flat angles C4'-P-C4' energy: -25.716
flat angles P-C4'-P energy: -14.774
tors. eta vs tors. theta energy: -18.842
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -258.516735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.516735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.516735 (E_RNA)
where:
Base-Base interactions energy: -140.184
where: short stacking energy: -55.032
Base-Backbone interact. energy: -0.182
local terms energy: -82.150718
where:
bonds (distance) C4'-P energy: -19.738
bonds (distance) P-C4' energy: -18.114
flat angles C4'-P-C4' energy: -21.508
flat angles P-C4'-P energy: -12.344
tors. eta vs tors. theta energy: -10.447
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -413.353914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.353914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.753914 (E_RNA)
where:
Base-Base interactions energy: -244.180
where: short stacking energy: -97.142
Base-Backbone interact. energy: -0.930
local terms energy: -119.644433
where:
bonds (distance) C4'-P energy: -20.909
bonds (distance) P-C4' energy: -22.502
flat angles C4'-P-C4' energy: -27.124
flat angles P-C4'-P energy: -18.670
tors. eta vs tors. theta energy: -30.440
Dist. restrs. and SS energy: -48.600 (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: 10
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -406.609610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.609610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.209610 (E_RNA)
where:
Base-Base interactions energy: -249.821
where: short stacking energy: -104.106
Base-Backbone interact. energy: -0.591
local terms energy: -105.797768
where:
bonds (distance) C4'-P energy: -23.831
bonds (distance) P-C4' energy: -22.185
flat angles C4'-P-C4' energy: -16.411
flat angles P-C4'-P energy: -14.463
tors. eta vs tors. theta energy: -28.908
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -385.449554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.449554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.849554 (E_RNA)
where:
Base-Base interactions energy: -236.652
where: short stacking energy: -95.763
Base-Backbone interact. energy: -0.403
local terms energy: -99.794605
where:
bonds (distance) C4'-P energy: -22.745
bonds (distance) P-C4' energy: -14.579
flat angles C4'-P-C4' energy: -24.364
flat angles P-C4'-P energy: -14.419
tors. eta vs tors. theta energy: -23.687
Dist. restrs. and SS energy: -48.600 (S_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: 420
Temperature: 1.050000
Total energy: -364.872469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.872469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.472469 (E_RNA)
where:
Base-Base interactions energy: -216.909
where: short stacking energy: -83.898
Base-Backbone interact. energy: -0.099
local terms energy: -97.464814
where:
bonds (distance) C4'-P energy: -21.734
bonds (distance) P-C4' energy: -22.949
flat angles C4'-P-C4' energy: -22.903
flat angles P-C4'-P energy: -16.620
tors. eta vs tors. theta energy: -13.260
Dist. restrs. and SS energy: -50.400 (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: 4
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -345.114745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.114745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.914745 (E_RNA)
where:
Base-Base interactions energy: -210.447
where: short stacking energy: -89.446
Base-Backbone interact. energy: -0.145
local terms energy: -100.322624
where:
bonds (distance) C4'-P energy: -20.524
bonds (distance) P-C4' energy: -21.057
flat angles C4'-P-C4' energy: -23.312
flat angles P-C4'-P energy: -12.547
tors. eta vs tors. theta energy: -22.882
Dist. restrs. and SS energy: -34.200 (S_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: 420
Temperature: 1.150000
Total energy: -291.079338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.079338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.879338 (E_RNA)
where:
Base-Base interactions energy: -164.760
where: short stacking energy: -81.026
Base-Backbone interact. energy: -0.186
local terms energy: -91.933078
where:
bonds (distance) C4'-P energy: -23.883
bonds (distance) P-C4' energy: -21.272
flat angles C4'-P-C4' energy: -23.821
flat angles P-C4'-P energy: -10.830
tors. eta vs tors. theta energy: -12.127
Dist. restrs. and SS energy: -34.200 (S_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: 420
Temperature: 1.200000
Total energy: -290.298871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.298871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.298871 (E_RNA)
where:
Base-Base interactions energy: -160.504
where: short stacking energy: -77.175
Base-Backbone interact. energy: -0.139
local terms energy: -93.655386
where:
bonds (distance) C4'-P energy: -21.095
bonds (distance) P-C4' energy: -22.007
flat angles C4'-P-C4' energy: -21.791
flat angles P-C4'-P energy: -16.808
tors. eta vs tors. theta energy: -11.954
Dist. restrs. and SS energy: -36.000 (S_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: 420
Temperature: 1.250000
Total energy: -266.623958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.623958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.623958 (E_RNA)
where:
Base-Base interactions energy: -147.521
where: short stacking energy: -75.364
Base-Backbone interact. energy: -0.029
local terms energy: -83.073487
where:
bonds (distance) C4'-P energy: -14.955
bonds (distance) P-C4' energy: -14.588
flat angles C4'-P-C4' energy: -23.095
flat angles P-C4'-P energy: -16.435
tors. eta vs tors. theta energy: -14.000
Dist. restrs. and SS energy: -36.000 (S_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: 420
Temperature: 1.300000
Total energy: -282.278668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.278668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.278668 (E_RNA)
where:
Base-Base interactions energy: -155.688
where: short stacking energy: -73.039
Base-Backbone interact. energy: -0.204
local terms energy: -90.386732
where:
bonds (distance) C4'-P energy: -17.121
bonds (distance) P-C4' energy: -17.346
flat angles C4'-P-C4' energy: -18.538
flat angles P-C4'-P energy: -17.602
tors. eta vs tors. theta energy: -19.780
Dist. restrs. and SS energy: -36.000 (S_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: 420
Temperature: 1.350000
Total energy: -258.534948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.534948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.534948 (E_RNA)
where:
Base-Base interactions energy: -150.658
where: short stacking energy: -70.462
Base-Backbone interact. energy: 1.080
local terms energy: -72.957646
where:
bonds (distance) C4'-P energy: -9.703
bonds (distance) P-C4' energy: -21.819
flat angles C4'-P-C4' energy: -14.663
flat angles P-C4'-P energy: -12.163
tors. eta vs tors. theta energy: -14.610
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -427.423651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.423651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.023651 (E_RNA)
where:
Base-Base interactions energy: -265.100
where: short stacking energy: -104.488
Base-Backbone interact. energy: -1.590
local terms energy: -110.333692
where:
bonds (distance) C4'-P energy: -20.745
bonds (distance) P-C4' energy: -22.570
flat angles C4'-P-C4' energy: -22.227
flat angles P-C4'-P energy: -17.646
tors. eta vs tors. theta energy: -27.146
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -407.198869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.198869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.598869 (E_RNA)
where:
Base-Base interactions energy: -252.560
where: short stacking energy: -101.271
Base-Backbone interact. energy: 1.558
local terms energy: -107.596715
where:
bonds (distance) C4'-P energy: -20.100
bonds (distance) P-C4' energy: -23.903
flat angles C4'-P-C4' energy: -20.837
flat angles P-C4'-P energy: -15.626
tors. eta vs tors. theta energy: -27.131
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -391.986748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.986748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.586748 (E_RNA)
where:
Base-Base interactions energy: -235.180
where: short stacking energy: -90.020
Base-Backbone interact. energy: -0.309
local terms energy: -106.097738
where:
bonds (distance) C4'-P energy: -20.605
bonds (distance) P-C4' energy: -23.260
flat angles C4'-P-C4' energy: -19.882
flat angles P-C4'-P energy: -18.331
tors. eta vs tors. theta energy: -24.020
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -366.144777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.144777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.144777 (E_RNA)
where:
Base-Base interactions energy: -220.904
where: short stacking energy: -98.567
Base-Backbone interact. energy: -0.651
local terms energy: -108.590722
where:
bonds (distance) C4'-P energy: -20.370
bonds (distance) P-C4' energy: -23.635
flat angles C4'-P-C4' energy: -24.960
flat angles P-C4'-P energy: -10.523
tors. eta vs tors. theta energy: -29.103
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. 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: -350.793411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.793411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.393411 (E_RNA)
where:
Base-Base interactions energy: -201.436
where: short stacking energy: -73.572
Base-Backbone interact. energy: 0.887
local terms energy: -99.844197
where:
bonds (distance) C4'-P energy: -15.180
bonds (distance) P-C4' energy: -25.963
flat angles C4'-P-C4' energy: -22.777
flat angles P-C4'-P energy: -16.854
tors. eta vs tors. theta energy: -19.070
Dist. restrs. and SS energy: -50.400 (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: 8
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -301.473057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.473057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.473057 (E_RNA)
where:
Base-Base interactions energy: -166.820
where: short stacking energy: -64.175
Base-Backbone interact. energy: -0.244
local terms energy: -98.409296
where:
bonds (distance) C4'-P energy: -24.512
bonds (distance) P-C4' energy: -17.582
flat angles C4'-P-C4' energy: -23.249
flat angles P-C4'-P energy: -17.189
tors. eta vs tors. theta energy: -15.878
Dist. restrs. and SS energy: -36.000 (S_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: 421
Temperature: 1.200000
Total energy: -284.369646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.369646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.369646 (E_RNA)
where:
Base-Base interactions energy: -156.941
where: short stacking energy: -68.253
Base-Backbone interact. energy: 0.492
local terms energy: -91.921322
where:
bonds (distance) C4'-P energy: -23.518
bonds (distance) P-C4' energy: -22.587
flat angles C4'-P-C4' energy: -20.075
flat angles P-C4'-P energy: -12.615
tors. eta vs tors. theta energy: -13.127
Dist. restrs. and SS energy: -36.000 (S_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: 421
Temperature: 1.250000
Total energy: -261.445953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.445953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.445953 (E_RNA)
where:
Base-Base interactions energy: -139.198
where: short stacking energy: -62.305
Base-Backbone interact. energy: 1.966
local terms energy: -88.213901
where:
bonds (distance) C4'-P energy: -20.466
bonds (distance) P-C4' energy: -20.026
flat angles C4'-P-C4' energy: -22.215
flat angles P-C4'-P energy: -10.154
tors. eta vs tors. theta energy: -15.353
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -292.897925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.897925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.897925 (E_RNA)
where:
Base-Base interactions energy: -164.887
where: short stacking energy: -72.919
Base-Backbone interact. energy: 2.273
local terms energy: -85.283524
where:
bonds (distance) C4'-P energy: -20.057
bonds (distance) P-C4' energy: -15.198
flat angles C4'-P-C4' energy: -17.421
flat angles P-C4'-P energy: -14.133
tors. eta vs tors. theta energy: -18.474
Dist. restrs. and SS energy: -45.000 (S_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: 421
Temperature: 1.350000
Total energy: -257.940966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.940966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.940966 (E_RNA)
where:
Base-Base interactions energy: -132.338
where: short stacking energy: -56.655
Base-Backbone interact. energy: -0.172
local terms energy: -89.430588
where:
bonds (distance) C4'-P energy: -19.705
bonds (distance) P-C4' energy: -19.983
flat angles C4'-P-C4' energy: -22.022
flat angles P-C4'-P energy: -17.149
tors. eta vs tors. theta energy: -10.573
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -421.092993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.092993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.692993 (E_RNA)
where:
Base-Base interactions energy: -250.406
where: short stacking energy: -92.193
Base-Backbone interact. energy: -0.645
local terms energy: -119.641876
where:
bonds (distance) C4'-P energy: -23.362
bonds (distance) P-C4' energy: -25.143
flat angles C4'-P-C4' energy: -25.004
flat angles P-C4'-P energy: -18.140
tors. eta vs tors. theta energy: -27.993
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -404.294013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.294013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.894013 (E_RNA)
where:
Base-Base interactions energy: -246.792
where: short stacking energy: -95.729
Base-Backbone interact. energy: -0.111
local terms energy: -106.991415
where:
bonds (distance) C4'-P energy: -20.794
bonds (distance) P-C4' energy: -20.618
flat angles C4'-P-C4' energy: -20.858
flat angles P-C4'-P energy: -14.680
tors. eta vs tors. theta energy: -30.041
Dist. restrs. and SS energy: -50.400 (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: 422
Temperature: 1.000000
Total energy: -369.180327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.180327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.180327 (E_RNA)
where:
Base-Base interactions energy: -230.833
where: short stacking energy: -94.046
Base-Backbone interact. energy: -0.839
local terms energy: -101.508726
where:
bonds (distance) C4'-P energy: -21.358
bonds (distance) P-C4' energy: -21.470
flat angles C4'-P-C4' energy: -23.297
flat angles P-C4'-P energy: -9.014
tors. eta vs tors. theta energy: -26.370
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -380.557103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.557103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.157103 (E_RNA)
where:
Base-Base interactions energy: -224.954
where: short stacking energy: -95.466
Base-Backbone interact. energy: 0.260
local terms energy: -105.463077
where:
bonds (distance) C4'-P energy: -23.845
bonds (distance) P-C4' energy: -19.988
flat angles C4'-P-C4' energy: -20.598
flat angles P-C4'-P energy: -13.484
tors. eta vs tors. theta energy: -27.549
Dist. restrs. and SS energy: -50.400 (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: 422
Temperature: 1.100000
Total energy: -309.534101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.534101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.534101 (E_RNA)
where:
Base-Base interactions energy: -170.561
where: short stacking energy: -76.155
Base-Backbone interact. energy: -0.575
local terms energy: -102.398002
where:
bonds (distance) C4'-P energy: -25.133
bonds (distance) P-C4' energy: -20.751
flat angles C4'-P-C4' energy: -24.082
flat angles P-C4'-P energy: -14.545
tors. eta vs tors. theta energy: -17.887
Dist. restrs. and SS energy: -36.000 (S_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: 422
Temperature: 1.150000
Total energy: -331.174122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.174122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.574122 (E_RNA)
where:
Base-Base interactions energy: -193.200
where: short stacking energy: -75.053
Base-Backbone interact. energy: 1.111
local terms energy: -90.484351
where:
bonds (distance) C4'-P energy: -20.861
bonds (distance) P-C4' energy: -18.461
flat angles C4'-P-C4' energy: -21.739
flat angles P-C4'-P energy: -14.228
tors. eta vs tors. theta energy: -15.195
Dist. restrs. and SS energy: -48.600 (S_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: 422
Temperature: 1.200000
Total energy: -284.976528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.976528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.976528 (E_RNA)
where:
Base-Base interactions energy: -161.868
where: short stacking energy: -62.671
Base-Backbone interact. energy: -0.002
local terms energy: -87.106663
where:
bonds (distance) C4'-P energy: -22.584
bonds (distance) P-C4' energy: -18.029
flat angles C4'-P-C4' energy: -21.195
flat angles P-C4'-P energy: -15.877
tors. eta vs tors. theta energy: -9.422
Dist. restrs. and SS energy: -36.000 (S_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: 422
Temperature: 1.250000
Total energy: -278.813508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.813508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.813508 (E_RNA)
where:
Base-Base interactions energy: -151.631
where: short stacking energy: -63.267
Base-Backbone interact. energy: 0.547
local terms energy: -91.730266
where:
bonds (distance) C4'-P energy: -22.355
bonds (distance) P-C4' energy: -21.256
flat angles C4'-P-C4' energy: -18.907
flat angles P-C4'-P energy: -12.057
tors. eta vs tors. theta energy: -17.156
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -277.733959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.733959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.733959 (E_RNA)
where:
Base-Base interactions energy: -150.023
where: short stacking energy: -74.489
Base-Backbone interact. energy: -0.810
local terms energy: -90.901373
where:
bonds (distance) C4'-P energy: -18.518
bonds (distance) P-C4' energy: -21.004
flat angles C4'-P-C4' energy: -20.390
flat angles P-C4'-P energy: -15.536
tors. eta vs tors. theta energy: -15.454
Dist. restrs. and SS energy: -36.000 (S_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: 422
Temperature: 1.350000
Total energy: -258.662243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.662243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.662243 (E_RNA)
where:
Base-Base interactions energy: -150.163
where: short stacking energy: -69.926
Base-Backbone interact. energy: -0.110
local terms energy: -72.390033
where:
bonds (distance) C4'-P energy: -18.031
bonds (distance) P-C4' energy: -11.426
flat angles C4'-P-C4' energy: -17.268
flat angles P-C4'-P energy: -11.055
tors. eta vs tors. theta energy: -14.610
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -412.627045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.627045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.227045 (E_RNA)
where:
Base-Base interactions energy: -254.595
where: short stacking energy: -96.603
Base-Backbone interact. energy: -0.213
local terms energy: -107.418617
where:
bonds (distance) C4'-P energy: -24.475
bonds (distance) P-C4' energy: -21.662
flat angles C4'-P-C4' energy: -20.830
flat angles P-C4'-P energy: -16.286
tors. eta vs tors. theta energy: -24.166
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -407.427066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.427066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.027066 (E_RNA)
where:
Base-Base interactions energy: -242.427
where: short stacking energy: -92.080
Base-Backbone interact. energy: -0.733
local terms energy: -113.866239
where:
bonds (distance) C4'-P energy: -25.915
bonds (distance) P-C4' energy: -24.043
flat angles C4'-P-C4' energy: -19.473
flat angles P-C4'-P energy: -16.020
tors. eta vs tors. theta energy: -28.415
Dist. restrs. and SS energy: -50.400 (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: 423
Temperature: 1.000000
Total energy: -360.909039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.909039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.909039 (E_RNA)
where:
Base-Base interactions energy: -216.618
where: short stacking energy: -89.634
Base-Backbone interact. energy: -1.257
local terms energy: -107.033777
where:
bonds (distance) C4'-P energy: -21.241
bonds (distance) P-C4' energy: -22.951
flat angles C4'-P-C4' energy: -21.214
flat angles P-C4'-P energy: -14.255
tors. eta vs tors. theta energy: -27.373
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -384.503891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.503891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.903891 (E_RNA)
where:
Base-Base interactions energy: -227.087
where: short stacking energy: -91.973
Base-Backbone interact. energy: -0.387
local terms energy: -108.429288
where:
bonds (distance) C4'-P energy: -18.327
bonds (distance) P-C4' energy: -24.361
flat angles C4'-P-C4' energy: -24.430
flat angles P-C4'-P energy: -14.561
tors. eta vs tors. theta energy: -26.751
Dist. restrs. and SS energy: -48.600 (S_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: 423
Temperature: 1.100000
Total energy: -311.067425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.067425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.067425 (E_RNA)
where:
Base-Base interactions energy: -175.256
where: short stacking energy: -89.567
Base-Backbone interact. energy: -0.250
local terms energy: -99.561120
where:
bonds (distance) C4'-P energy: -24.094
bonds (distance) P-C4' energy: -23.179
flat angles C4'-P-C4' energy: -18.185
flat angles P-C4'-P energy: -15.459
tors. eta vs tors. theta energy: -18.644
Dist. restrs. and SS energy: -36.000 (S_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: 423
Temperature: 1.150000
Total energy: -341.831071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.831071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.231071 (E_RNA)
where:
Base-Base interactions energy: -202.999
where: short stacking energy: -84.587
Base-Backbone interact. energy: -0.663
local terms energy: -89.569419
where:
bonds (distance) C4'-P energy: -13.780
bonds (distance) P-C4' energy: -17.667
flat angles C4'-P-C4' energy: -22.256
flat angles P-C4'-P energy: -15.978
tors. eta vs tors. theta energy: -19.888
Dist. restrs. and SS energy: -48.600 (S_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: 423
Temperature: 1.200000
Total energy: -282.541172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.541172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.541172 (E_RNA)
where:
Base-Base interactions energy: -162.876
where: short stacking energy: -72.957
Base-Backbone interact. energy: -0.418
local terms energy: -83.247370
where:
bonds (distance) C4'-P energy: -13.492
bonds (distance) P-C4' energy: -17.695
flat angles C4'-P-C4' energy: -23.404
flat angles P-C4'-P energy: -12.188
tors. eta vs tors. theta energy: -16.469
Dist. restrs. and SS energy: -36.000 (S_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: 423
Temperature: 1.250000
Total energy: -291.771174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.771174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.771174 (E_RNA)
where:
Base-Base interactions energy: -166.243
where: short stacking energy: -82.866
Base-Backbone interact. energy: -0.081
local terms energy: -89.447885
where:
bonds (distance) C4'-P energy: -13.214
bonds (distance) P-C4' energy: -19.310
flat angles C4'-P-C4' energy: -21.708
flat angles P-C4'-P energy: -15.559
tors. eta vs tors. theta energy: -19.656
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -272.664435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.664435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.464435 (E_RNA)
where:
Base-Base interactions energy: -161.096
where: short stacking energy: -61.275
Base-Backbone interact. energy: -0.443
local terms energy: -76.925417
where:
bonds (distance) C4'-P energy: -10.586
bonds (distance) P-C4' energy: -19.720
flat angles C4'-P-C4' energy: -19.665
flat angles P-C4'-P energy: -16.858
tors. eta vs tors. theta energy: -10.096
Dist. restrs. and SS energy: -34.200 (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: 6
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -247.788479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.788479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.788479 (E_RNA)
where:
Base-Base interactions energy: -130.568
where: short stacking energy: -60.972
Base-Backbone interact. energy: -0.120
local terms energy: -81.100048
where:
bonds (distance) C4'-P energy: -12.519
bonds (distance) P-C4' energy: -21.709
flat angles C4'-P-C4' energy: -20.061
flat angles P-C4'-P energy: -11.498
tors. eta vs tors. theta energy: -15.312
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -412.117658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.117658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.717658 (E_RNA)
where:
Base-Base interactions energy: -250.927
where: short stacking energy: -94.154
Base-Backbone interact. energy: -0.518
local terms energy: -110.272718
where:
bonds (distance) C4'-P energy: -22.834
bonds (distance) P-C4' energy: -24.654
flat angles C4'-P-C4' energy: -21.352
flat angles P-C4'-P energy: -17.955
tors. eta vs tors. theta energy: -23.477
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -404.284694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.284694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.884694 (E_RNA)
where:
Base-Base interactions energy: -238.569
where: short stacking energy: -96.101
Base-Backbone interact. energy: -0.421
local terms energy: -114.894868
where:
bonds (distance) C4'-P energy: -26.780
bonds (distance) P-C4' energy: -27.485
flat angles C4'-P-C4' energy: -21.871
flat angles P-C4'-P energy: -14.218
tors. eta vs tors. theta energy: -24.541
Dist. restrs. and SS energy: -50.400 (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: 424
Temperature: 1.000000
Total energy: -354.747624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.747624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.747624 (E_RNA)
where:
Base-Base interactions energy: -207.825
where: short stacking energy: -103.188
Base-Backbone interact. energy: -0.338
local terms energy: -110.584085
where:
bonds (distance) C4'-P energy: -22.297
bonds (distance) P-C4' energy: -25.408
flat angles C4'-P-C4' energy: -21.649
flat angles P-C4'-P energy: -15.747
tors. eta vs tors. theta energy: -25.484
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -392.128877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.128877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.728877 (E_RNA)
where:
Base-Base interactions energy: -241.787
where: short stacking energy: -96.294
Base-Backbone interact. energy: -1.354
local terms energy: -98.587109
where:
bonds (distance) C4'-P energy: -14.310
bonds (distance) P-C4' energy: -20.088
flat angles C4'-P-C4' energy: -21.058
flat angles P-C4'-P energy: -15.099
tors. eta vs tors. theta energy: -28.033
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -351.330760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.330760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.930760 (E_RNA)
where:
Base-Base interactions energy: -219.965
where: short stacking energy: -84.805
Base-Backbone interact. energy: 3.586
local terms energy: -84.551689
where:
bonds (distance) C4'-P energy: -19.012
bonds (distance) P-C4' energy: -20.512
flat angles C4'-P-C4' energy: -15.892
flat angles P-C4'-P energy: -12.402
tors. eta vs tors. theta energy: -16.734
Dist. restrs. and SS energy: -50.400 (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: 8
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -286.365675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.365675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.365675 (E_RNA)
where:
Base-Base interactions energy: -162.707
where: short stacking energy: -77.761
Base-Backbone interact. energy: -0.289
local terms energy: -87.369376
where:
bonds (distance) C4'-P energy: -11.223
bonds (distance) P-C4' energy: -19.456
flat angles C4'-P-C4' energy: -24.488
flat angles P-C4'-P energy: -10.931
tors. eta vs tors. theta energy: -21.271
Dist. restrs. and SS energy: -36.000 (S_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: 424
Temperature: 1.200000
Total energy: -278.299519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.299519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.299519 (E_RNA)
where:
Base-Base interactions energy: -149.338
where: short stacking energy: -62.459
Base-Backbone interact. energy: 0.118
local terms energy: -93.079851
where:
bonds (distance) C4'-P energy: -12.710
bonds (distance) P-C4' energy: -23.259
flat angles C4'-P-C4' energy: -20.113
flat angles P-C4'-P energy: -15.250
tors. eta vs tors. theta energy: -21.748
Dist. restrs. and SS energy: -36.000 (S_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: 424
Temperature: 1.250000
Total energy: -294.290853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.290853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.090853 (E_RNA)
where:
Base-Base interactions energy: -172.824
where: short stacking energy: -74.762
Base-Backbone interact. energy: -0.321
local terms energy: -86.946491
where:
bonds (distance) C4'-P energy: -17.127
bonds (distance) P-C4' energy: -21.390
flat angles C4'-P-C4' energy: -21.667
flat angles P-C4'-P energy: -7.936
tors. eta vs tors. theta energy: -18.827
Dist. restrs. and SS energy: -34.200 (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: 6
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -257.834598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.834598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.834598 (E_RNA)
where:
Base-Base interactions energy: -141.738
where: short stacking energy: -62.001
Base-Backbone interact. energy: 0.106
local terms energy: -80.202075
where:
bonds (distance) C4'-P energy: -24.211
bonds (distance) P-C4' energy: -17.879
flat angles C4'-P-C4' energy: -13.603
flat angles P-C4'-P energy: -14.113
tors. eta vs tors. theta energy: -10.396
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -271.805700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.805700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.805700 (E_RNA)
where:
Base-Base interactions energy: -160.251
where: short stacking energy: -57.038
Base-Backbone interact. energy: 1.516
local terms energy: -77.071002
where:
bonds (distance) C4'-P energy: -15.396
bonds (distance) P-C4' energy: -18.059
flat angles C4'-P-C4' energy: -19.327
flat angles P-C4'-P energy: -9.138
tors. eta vs tors. theta energy: -15.151
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -420.539611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.539611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.139611 (E_RNA)
where:
Base-Base interactions energy: -252.292
where: short stacking energy: -94.185
Base-Backbone interact. energy: 0.356
local terms energy: -118.203569
where:
bonds (distance) C4'-P energy: -23.144
bonds (distance) P-C4' energy: -23.793
flat angles C4'-P-C4' energy: -23.912
flat angles P-C4'-P energy: -17.463
tors. eta vs tors. theta energy: -29.891
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -408.373983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.373983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.773983 (E_RNA)
where:
Base-Base interactions energy: -249.341
where: short stacking energy: -103.236
Base-Backbone interact. energy: 0.123
local terms energy: -110.555755
where:
bonds (distance) C4'-P energy: -23.555
bonds (distance) P-C4' energy: -24.554
flat angles C4'-P-C4' energy: -21.138
flat angles P-C4'-P energy: -13.542
tors. eta vs tors. theta energy: -27.766
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -346.470645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.470645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.470645 (E_RNA)
where:
Base-Base interactions energy: -209.858
where: short stacking energy: -89.841
Base-Backbone interact. energy: -0.010
local terms energy: -100.602293
where:
bonds (distance) C4'-P energy: -21.857
bonds (distance) P-C4' energy: -23.336
flat angles C4'-P-C4' energy: -19.607
flat angles P-C4'-P energy: -14.841
tors. eta vs tors. theta energy: -20.960
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -373.238254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.238254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.838254 (E_RNA)
where:
Base-Base interactions energy: -219.563
where: short stacking energy: -88.649
Base-Backbone interact. energy: -0.639
local terms energy: -102.637062
where:
bonds (distance) C4'-P energy: -16.253
bonds (distance) P-C4' energy: -22.443
flat angles C4'-P-C4' energy: -25.310
flat angles P-C4'-P energy: -16.567
tors. eta vs tors. theta energy: -22.064
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -354.680777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.680777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.280777 (E_RNA)
where:
Base-Base interactions energy: -207.082
where: short stacking energy: -85.230
Base-Backbone interact. energy: 0.287
local terms energy: -97.485626
where:
bonds (distance) C4'-P energy: -17.499
bonds (distance) P-C4' energy: -21.896
flat angles C4'-P-C4' energy: -25.160
flat angles P-C4'-P energy: -12.155
tors. eta vs tors. theta energy: -20.776
Dist. restrs. and SS energy: -50.400 (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: 9
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -283.315047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.315047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.315047 (E_RNA)
where:
Base-Base interactions energy: -157.628
where: short stacking energy: -81.078
Base-Backbone interact. energy: -0.337
local terms energy: -89.350378
where:
bonds (distance) C4'-P energy: -18.347
bonds (distance) P-C4' energy: -18.778
flat angles C4'-P-C4' energy: -25.226
flat angles P-C4'-P energy: -7.743
tors. eta vs tors. theta energy: -19.257
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -278.331145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.331145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.131145 (E_RNA)
where:
Base-Base interactions energy: -155.077
where: short stacking energy: -70.299
Base-Backbone interact. energy: -0.631
local terms energy: -88.423428
where:
bonds (distance) C4'-P energy: -24.358
bonds (distance) P-C4' energy: -17.616
flat angles C4'-P-C4' energy: -20.378
flat angles P-C4'-P energy: -14.601
tors. eta vs tors. theta energy: -11.469
Dist. restrs. and SS energy: -34.200 (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: 3
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -281.287174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.287174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.287174 (E_RNA)
where:
Base-Base interactions energy: -162.675
where: short stacking energy: -69.444
Base-Backbone interact. energy: -0.269
local terms energy: -82.343424
where:
bonds (distance) C4'-P energy: -17.437
bonds (distance) P-C4' energy: -15.151
flat angles C4'-P-C4' energy: -20.690
flat angles P-C4'-P energy: -10.853
tors. eta vs tors. theta energy: -18.212
Dist. restrs. and SS energy: -36.000 (S_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: 425
Temperature: 1.300000
Total energy: -276.743572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.743572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.543572 (E_RNA)
where:
Base-Base interactions energy: -158.619
where: short stacking energy: -60.296
Base-Backbone interact. energy: -0.522
local terms energy: -74.402953
where:
bonds (distance) C4'-P energy: -20.993
bonds (distance) P-C4' energy: -15.131
flat angles C4'-P-C4' energy: -11.604
flat angles P-C4'-P energy: -16.692
tors. eta vs tors. theta energy: -9.983
Dist. restrs. and SS energy: -43.200 (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: 2
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -256.533769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.533769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.533769 (E_RNA)
where:
Base-Base interactions energy: -144.078
where: short stacking energy: -57.107
Base-Backbone interact. energy: 0.388
local terms energy: -76.843638
where:
bonds (distance) C4'-P energy: -20.283
bonds (distance) P-C4' energy: -14.522
flat angles C4'-P-C4' energy: -16.731
flat angles P-C4'-P energy: -16.954
tors. eta vs tors. theta energy: -8.354
Dist. restrs. and SS energy: -36.000 (S_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: 426
Temperature: 0.900000
Total energy: -423.932118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.932118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.332118 (E_RNA)
where:
Base-Base interactions energy: -257.878
where: short stacking energy: -97.344
Base-Backbone interact. energy: -0.806
local terms energy: -116.647222
where:
bonds (distance) C4'-P energy: -24.843
bonds (distance) P-C4' energy: -23.017
flat angles C4'-P-C4' energy: -23.426
flat angles P-C4'-P energy: -18.063
tors. eta vs tors. theta energy: -27.299
Dist. restrs. and SS energy: -48.600 (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: 7
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -411.572253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.572253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.172253 (E_RNA)
where:
Base-Base interactions energy: -253.454
where: short stacking energy: -100.529
Base-Backbone interact. energy: -0.584
local terms energy: -107.133596
where:
bonds (distance) C4'-P energy: -21.895
bonds (distance) P-C4' energy: -22.820
flat angles C4'-P-C4' energy: -15.172
flat angles P-C4'-P energy: -17.756
tors. eta vs tors. theta energy: -29.491
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -392.773624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.773624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.373624 (E_RNA)
where:
Base-Base interactions energy: -236.427
where: short stacking energy: -97.862
Base-Backbone interact. energy: -0.476
local terms energy: -105.470302
where:
bonds (distance) C4'-P energy: -17.958
bonds (distance) P-C4' energy: -16.906
flat angles C4'-P-C4' energy: -24.163
flat angles P-C4'-P energy: -18.165
tors. eta vs tors. theta energy: -28.278
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -362.899909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.899909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.899909 (E_RNA)
where:
Base-Base interactions energy: -217.327
where: short stacking energy: -96.276
Base-Backbone interact. energy: 0.451
local terms energy: -110.023771
where:
bonds (distance) C4'-P energy: -23.025
bonds (distance) P-C4' energy: -22.919
flat angles C4'-P-C4' energy: -24.426
flat angles P-C4'-P energy: -15.532
tors. eta vs tors. theta energy: -24.122
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -344.545116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.545116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.145116 (E_RNA)
where:
Base-Base interactions energy: -191.711
where: short stacking energy: -70.146
Base-Backbone interact. energy: -0.186
local terms energy: -102.247371
where:
bonds (distance) C4'-P energy: -23.083
bonds (distance) P-C4' energy: -22.158
flat angles C4'-P-C4' energy: -21.308
flat angles P-C4'-P energy: -15.462
tors. eta vs tors. theta energy: -20.237
Dist. restrs. and SS energy: -50.400 (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: 9
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -314.040795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.040795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.040795 (E_RNA)
where:
Base-Base interactions energy: -165.367
where: short stacking energy: -85.929
Base-Backbone interact. energy: -0.795
local terms energy: -111.878437
where:
bonds (distance) C4'-P energy: -21.519
bonds (distance) P-C4' energy: -22.458
flat angles C4'-P-C4' energy: -22.330
flat angles P-C4'-P energy: -20.482
tors. eta vs tors. theta energy: -25.090
Dist. restrs. and SS energy: -36.000 (S_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: 426
Temperature: 1.200000
Total energy: -285.069354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.069354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.069354 (E_RNA)
where:
Base-Base interactions energy: -155.039
where: short stacking energy: -62.803
Base-Backbone interact. energy: 0.275
local terms energy: -94.305363
where:
bonds (distance) C4'-P energy: -20.157
bonds (distance) P-C4' energy: -24.275
flat angles C4'-P-C4' energy: -19.751
flat angles P-C4'-P energy: -11.676
tors. eta vs tors. theta energy: -18.447
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -271.759665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.759665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.759665 (E_RNA)
where:
Base-Base interactions energy: -152.863
where: short stacking energy: -64.919
Base-Backbone interact. energy: -0.913
local terms energy: -81.983857
where:
bonds (distance) C4'-P energy: -18.768
bonds (distance) P-C4' energy: -16.562
flat angles C4'-P-C4' energy: -21.670
flat angles P-C4'-P energy: -12.336
tors. eta vs tors. theta energy: -12.647
Dist. restrs. and SS energy: -36.000 (S_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: 426
Temperature: 1.300000
Total energy: -263.322501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.322501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.322501 (E_RNA)
where:
Base-Base interactions energy: -134.735
where: short stacking energy: -46.870
Base-Backbone interact. energy: -0.611
local terms energy: -82.976114
where:
bonds (distance) C4'-P energy: -16.912
bonds (distance) P-C4' energy: -22.818
flat angles C4'-P-C4' energy: -23.762
flat angles P-C4'-P energy: -15.601
tors. eta vs tors. theta energy: -3.883
Dist. restrs. and SS energy: -45.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -246.312570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.312570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.312570 (E_RNA)
where:
Base-Base interactions energy: -136.131
where: short stacking energy: -65.261
Base-Backbone interact. energy: -0.359
local terms energy: -73.823285
where:
bonds (distance) C4'-P energy: -22.607
bonds (distance) P-C4' energy: -16.153
flat angles C4'-P-C4' energy: -13.504
flat angles P-C4'-P energy: -11.568
tors. eta vs tors. theta energy: -9.991
Dist. restrs. and SS energy: -36.000 (S_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: 427
Temperature: 0.900000
Total energy: -414.840711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.840711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.040711 (E_RNA)
where:
Base-Base interactions energy: -253.691
where: short stacking energy: -89.813
Base-Backbone interact. energy: 1.235
local terms energy: -115.584832
where:
bonds (distance) C4'-P energy: -21.014
bonds (distance) P-C4' energy: -23.436
flat angles C4'-P-C4' energy: -25.601
flat angles P-C4'-P energy: -19.161
tors. eta vs tors. theta energy: -26.373
Dist. restrs. and SS energy: -46.800 (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: 1
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -373.752109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.752109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.352109 (E_RNA)
where:
Base-Base interactions energy: -210.908
where: short stacking energy: -73.831
Base-Backbone interact. energy: -1.458
local terms energy: -110.985562
where:
bonds (distance) C4'-P energy: -24.648
bonds (distance) P-C4' energy: -26.631
flat angles C4'-P-C4' energy: -19.944
flat angles P-C4'-P energy: -18.930
tors. eta vs tors. theta energy: -20.833
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -411.388348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.388348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.988348 (E_RNA)
where:
Base-Base interactions energy: -249.841
where: short stacking energy: -96.834
Base-Backbone interact. energy: -0.130
local terms energy: -111.017537
where:
bonds (distance) C4'-P energy: -20.778
bonds (distance) P-C4' energy: -24.744
flat angles C4'-P-C4' energy: -21.743
flat angles P-C4'-P energy: -16.399
tors. eta vs tors. theta energy: -27.354
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -347.467963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.467963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.467963 (E_RNA)
where:
Base-Base interactions energy: -207.992
where: short stacking energy: -95.386
Base-Backbone interact. energy: -0.317
local terms energy: -103.158436
where:
bonds (distance) C4'-P energy: -18.756
bonds (distance) P-C4' energy: -22.118
flat angles C4'-P-C4' energy: -22.481
flat angles P-C4'-P energy: -10.663
tors. eta vs tors. theta energy: -29.141
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. 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: -323.033855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.033855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.633855 (E_RNA)
where:
Base-Base interactions energy: -182.660
where: short stacking energy: -68.029
Base-Backbone interact. energy: -0.274
local terms energy: -89.699888
where:
bonds (distance) C4'-P energy: -19.760
bonds (distance) P-C4' energy: -17.442
flat angles C4'-P-C4' energy: -18.153
flat angles P-C4'-P energy: -16.091
tors. eta vs tors. theta energy: -18.253
Dist. restrs. and SS energy: -50.400 (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: 9
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -306.268555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.268555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.268555 (E_RNA)
where:
Base-Base interactions energy: -162.038
where: short stacking energy: -82.894
Base-Backbone interact. energy: -0.096
local terms energy: -108.134731
where:
bonds (distance) C4'-P energy: -24.072
bonds (distance) P-C4' energy: -24.817
flat angles C4'-P-C4' energy: -20.469
flat angles P-C4'-P energy: -15.818
tors. eta vs tors. theta energy: -22.958
Dist. restrs. and SS energy: -36.000 (S_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: 427
Temperature: 1.200000
Total energy: -291.049036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.049036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.049036 (E_RNA)
where:
Base-Base interactions energy: -159.794
where: short stacking energy: -77.322
Base-Backbone interact. energy: -0.041
local terms energy: -95.214346
where:
bonds (distance) C4'-P energy: -14.178
bonds (distance) P-C4' energy: -25.445
flat angles C4'-P-C4' energy: -18.443
flat angles P-C4'-P energy: -15.728
tors. eta vs tors. theta energy: -21.420
Dist. restrs. and SS energy: -36.000 (S_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: 427
Temperature: 1.250000
Total energy: -254.378636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.378636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.378636 (E_RNA)
where:
Base-Base interactions energy: -140.751
where: short stacking energy: -61.769
Base-Backbone interact. energy: -0.622
local terms energy: -77.005278
where:
bonds (distance) C4'-P energy: -16.012
bonds (distance) P-C4' energy: -17.798
flat angles C4'-P-C4' energy: -15.432
flat angles P-C4'-P energy: -13.384
tors. eta vs tors. theta energy: -14.379
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -275.713401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.713401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.113401 (E_RNA)
where:
Base-Base interactions energy: -152.685
where: short stacking energy: -62.731
Base-Backbone interact. energy: -0.208
local terms energy: -83.220669
where:
bonds (distance) C4'-P energy: -18.546
bonds (distance) P-C4' energy: -18.021
flat angles C4'-P-C4' energy: -20.434
flat angles P-C4'-P energy: -14.961
tors. eta vs tors. theta energy: -11.258
Dist. restrs. and SS energy: -39.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -249.490165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.490165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.490165 (E_RNA)
where:
Base-Base interactions energy: -141.747
where: short stacking energy: -64.619
Base-Backbone interact. energy: -0.518
local terms energy: -71.224845
where:
bonds (distance) C4'-P energy: -9.947
bonds (distance) P-C4' energy: -20.853
flat angles C4'-P-C4' energy: -13.962
flat angles P-C4'-P energy: -13.883
tors. eta vs tors. theta energy: -12.580
Dist. restrs. and SS energy: -36.000 (S_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: -402.033687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.033687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.633687 (E_RNA)
where:
Base-Base interactions energy: -239.807
where: short stacking energy: -98.618
Base-Backbone interact. energy: -0.708
local terms energy: -111.119279
where:
bonds (distance) C4'-P energy: -23.972
bonds (distance) P-C4' energy: -25.384
flat angles C4'-P-C4' energy: -21.275
flat angles P-C4'-P energy: -14.088
tors. eta vs tors. theta energy: -26.401
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -410.063107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.063107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.663107 (E_RNA)
where:
Base-Base interactions energy: -248.060
where: short stacking energy: -96.200
Base-Backbone interact. energy: -0.900
local terms energy: -110.702744
where:
bonds (distance) C4'-P energy: -22.059
bonds (distance) P-C4' energy: -24.097
flat angles C4'-P-C4' energy: -21.440
flat angles P-C4'-P energy: -15.523
tors. eta vs tors. theta energy: -27.584
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -400.508815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.508815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.108815 (E_RNA)
where:
Base-Base interactions energy: -245.981
where: short stacking energy: -98.128
Base-Backbone interact. energy: -1.949
local terms energy: -102.179221
where:
bonds (distance) C4'-P energy: -20.023
bonds (distance) P-C4' energy: -23.777
flat angles C4'-P-C4' energy: -16.360
flat angles P-C4'-P energy: -11.012
tors. eta vs tors. theta energy: -31.008
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -362.962090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.962090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.962090 (E_RNA)
where:
Base-Base interactions energy: -216.321
where: short stacking energy: -112.753
Base-Backbone interact. energy: -0.146
local terms energy: -110.494793
where:
bonds (distance) C4'-P energy: -23.498
bonds (distance) P-C4' energy: -18.117
flat angles C4'-P-C4' energy: -21.527
flat angles P-C4'-P energy: -13.289
tors. eta vs tors. theta energy: -34.064
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -312.412095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.412095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.812095 (E_RNA)
where:
Base-Base interactions energy: -175.504
where: short stacking energy: -87.249
Base-Backbone interact. energy: -0.180
local terms energy: -106.127754
where:
bonds (distance) C4'-P energy: -21.019
bonds (distance) P-C4' energy: -25.122
flat angles C4'-P-C4' energy: -24.163
flat angles P-C4'-P energy: -12.232
tors. eta vs tors. theta energy: -23.591
Dist. restrs. and SS energy: -30.600 (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: 5
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -325.238956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.238956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.838956 (E_RNA)
where:
Base-Base interactions energy: -182.582
where: short stacking energy: -71.436
Base-Backbone interact. energy: -0.861
local terms energy: -91.395913
where:
bonds (distance) C4'-P energy: -20.655
bonds (distance) P-C4' energy: -24.069
flat angles C4'-P-C4' energy: -17.499
flat angles P-C4'-P energy: -14.405
tors. eta vs tors. theta energy: -14.768
Dist. restrs. and SS energy: -50.400 (S_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: 428
Temperature: 1.200000
Total energy: -291.259372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.259372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.059372 (E_RNA)
where:
Base-Base interactions energy: -153.417
where: short stacking energy: -73.431
Base-Backbone interact. energy: 0.221
local terms energy: -103.863419
where:
bonds (distance) C4'-P energy: -16.023
bonds (distance) P-C4' energy: -26.765
flat angles C4'-P-C4' energy: -21.421
flat angles P-C4'-P energy: -14.829
tors. eta vs tors. theta energy: -24.825
Dist. restrs. and SS energy: -34.200 (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: 6
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -245.325602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.325602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.325602 (E_RNA)
where:
Base-Base interactions energy: -126.148
where: short stacking energy: -53.900
Base-Backbone interact. energy: 2.283
local terms energy: -85.460003
where:
bonds (distance) C4'-P energy: -21.978
bonds (distance) P-C4' energy: -16.464
flat angles C4'-P-C4' energy: -21.192
flat angles P-C4'-P energy: -18.634
tors. eta vs tors. theta energy: -7.192
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -257.974257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.974257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.974257 (E_RNA)
where:
Base-Base interactions energy: -141.837
where: short stacking energy: -57.304
Base-Backbone interact. energy: -0.541
local terms energy: -79.596846
where:
bonds (distance) C4'-P energy: -19.588
bonds (distance) P-C4' energy: -15.111
flat angles C4'-P-C4' energy: -22.627
flat angles P-C4'-P energy: -9.782
tors. eta vs tors. theta energy: -12.488
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -265.710903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.710903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.710903 (E_RNA)
where:
Base-Base interactions energy: -152.036
where: short stacking energy: -67.299
Base-Backbone interact. energy: -0.889
local terms energy: -76.785335
where:
bonds (distance) C4'-P energy: -13.027
bonds (distance) P-C4' energy: -24.045
flat angles C4'-P-C4' energy: -19.397
flat angles P-C4'-P energy: -7.676
tors. eta vs tors. theta energy: -12.641
Dist. restrs. and SS energy: -36.000 (S_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: -392.304913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.304913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.904913 (E_RNA)
where:
Base-Base interactions energy: -229.478
where: short stacking energy: -94.412
Base-Backbone interact. energy: -0.079
local terms energy: -112.348495
where:
bonds (distance) C4'-P energy: -22.627
bonds (distance) P-C4' energy: -23.890
flat angles C4'-P-C4' energy: -20.327
flat angles P-C4'-P energy: -19.983
tors. eta vs tors. theta energy: -25.521
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -404.212748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.212748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.812748 (E_RNA)
where:
Base-Base interactions energy: -250.872
where: short stacking energy: -94.128
Base-Backbone interact. energy: -0.456
local terms energy: -102.485182
where:
bonds (distance) C4'-P energy: -24.728
bonds (distance) P-C4' energy: -16.739
flat angles C4'-P-C4' energy: -21.985
flat angles P-C4'-P energy: -13.624
tors. eta vs tors. theta energy: -25.409
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -407.093956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.093956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.693956 (E_RNA)
where:
Base-Base interactions energy: -245.550
where: short stacking energy: -96.045
Base-Backbone interact. energy: -0.540
local terms energy: -110.603844
where:
bonds (distance) C4'-P energy: -22.550
bonds (distance) P-C4' energy: -24.017
flat angles C4'-P-C4' energy: -20.798
flat angles P-C4'-P energy: -16.203
tors. eta vs tors. theta energy: -27.035
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -355.842871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.842871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.242871 (E_RNA)
where:
Base-Base interactions energy: -215.102
where: short stacking energy: -95.314
Base-Backbone interact. energy: 0.777
local terms energy: -110.917567
where:
bonds (distance) C4'-P energy: -21.702
bonds (distance) P-C4' energy: -22.974
flat angles C4'-P-C4' energy: -24.303
flat angles P-C4'-P energy: -14.130
tors. eta vs tors. theta energy: -27.810
Dist. restrs. and SS energy: -30.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -311.230708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.230708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.630708 (E_RNA)
where:
Base-Base interactions energy: -186.732
where: short stacking energy: -84.815
Base-Backbone interact. energy: 0.112
local terms energy: -94.010877
where:
bonds (distance) C4'-P energy: -19.046
bonds (distance) P-C4' energy: -25.767
flat angles C4'-P-C4' energy: -19.152
flat angles P-C4'-P energy: -14.716
tors. eta vs tors. theta energy: -15.329
Dist. restrs. and SS energy: -30.600 (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: 5
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -333.181768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.181768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.781768 (E_RNA)
where:
Base-Base interactions energy: -187.642
where: short stacking energy: -82.288
Base-Backbone interact. energy: 0.161
local terms energy: -95.300378
where:
bonds (distance) C4'-P energy: -24.967
bonds (distance) P-C4' energy: -23.713
flat angles C4'-P-C4' energy: -12.413
flat angles P-C4'-P energy: -13.201
tors. eta vs tors. theta energy: -21.007
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -286.015531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.015531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.015531 (E_RNA)
where:
Base-Base interactions energy: -159.080
where: short stacking energy: -71.793
Base-Backbone interact. energy: -0.184
local terms energy: -90.751392
where:
bonds (distance) C4'-P energy: -22.005
bonds (distance) P-C4' energy: -20.525
flat angles C4'-P-C4' energy: -15.998
flat angles P-C4'-P energy: -16.736
tors. eta vs tors. theta energy: -15.487
Dist. restrs. and SS energy: -36.000 (S_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: 429
Temperature: 1.250000
Total energy: -259.103130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.103130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.103130 (E_RNA)
where:
Base-Base interactions energy: -143.777
where: short stacking energy: -72.466
Base-Backbone interact. energy: -0.408
local terms energy: -78.918113
where:
bonds (distance) C4'-P energy: -12.841
bonds (distance) P-C4' energy: -15.214
flat angles C4'-P-C4' energy: -15.028
flat angles P-C4'-P energy: -15.449
tors. eta vs tors. theta energy: -20.385
Dist. restrs. and SS energy: -36.000 (S_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: 429
Temperature: 1.300000
Total energy: -260.200139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.200139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.200139 (E_RNA)
where:
Base-Base interactions energy: -140.163
where: short stacking energy: -68.531
Base-Backbone interact. energy: -0.020
local terms energy: -84.017663
where:
bonds (distance) C4'-P energy: -22.532
bonds (distance) P-C4' energy: -13.981
flat angles C4'-P-C4' energy: -21.364
flat angles P-C4'-P energy: -11.192
tors. eta vs tors. theta energy: -14.948
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -252.120548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.120548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.720548 (E_RNA)
where:
Base-Base interactions energy: -145.678
where: short stacking energy: -63.379
Base-Backbone interact. energy: -0.473
local terms energy: -73.569440
where:
bonds (distance) C4'-P energy: -19.695
bonds (distance) P-C4' energy: -15.766
flat angles C4'-P-C4' energy: -18.249
flat angles P-C4'-P energy: -6.789
tors. eta vs tors. theta energy: -13.069
Dist. restrs. and SS energy: -32.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -413.401242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.401242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.001242 (E_RNA)
where:
Base-Base interactions energy: -246.532
where: short stacking energy: -95.238
Base-Backbone interact. energy: -1.268
local terms energy: -115.201920
where:
bonds (distance) C4'-P energy: -18.488
bonds (distance) P-C4' energy: -26.195
flat angles C4'-P-C4' energy: -22.415
flat angles P-C4'-P energy: -18.809
tors. eta vs tors. theta energy: -29.294
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -387.368042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.368042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.968042 (E_RNA)
where:
Base-Base interactions energy: -228.253
where: short stacking energy: -92.493
Base-Backbone interact. energy: -0.465
local terms energy: -108.250257
where:
bonds (distance) C4'-P energy: -17.241
bonds (distance) P-C4' energy: -23.280
flat angles C4'-P-C4' energy: -24.353
flat angles P-C4'-P energy: -17.212
tors. eta vs tors. theta energy: -26.164
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -402.863170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.863170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.463170 (E_RNA)
where:
Base-Base interactions energy: -246.916
where: short stacking energy: -90.161
Base-Backbone interact. energy: -0.542
local terms energy: -105.005793
where:
bonds (distance) C4'-P energy: -19.006
bonds (distance) P-C4' energy: -21.496
flat angles C4'-P-C4' energy: -20.430
flat angles P-C4'-P energy: -17.823
tors. eta vs tors. theta energy: -26.250
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -355.945400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.945400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.945400 (E_RNA)
where:
Base-Base interactions energy: -216.661
where: short stacking energy: -103.728
Base-Backbone interact. energy: -0.406
local terms energy: -102.878906
where:
bonds (distance) C4'-P energy: -23.376
bonds (distance) P-C4' energy: -24.136
flat angles C4'-P-C4' energy: -21.226
flat angles P-C4'-P energy: -9.393
tors. eta vs tors. theta energy: -24.748
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. 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: -337.677755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.677755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.077755 (E_RNA)
where:
Base-Base interactions energy: -191.250
where: short stacking energy: -81.918
Base-Backbone interact. energy: -0.460
local terms energy: -97.367679
where:
bonds (distance) C4'-P energy: -20.876
bonds (distance) P-C4' energy: -19.230
flat angles C4'-P-C4' energy: -25.707
flat angles P-C4'-P energy: -10.615
tors. eta vs tors. theta energy: -20.939
Dist. restrs. and SS energy: -48.600 (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: 9
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -301.050784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.050784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.050784 (E_RNA)
where:
Base-Base interactions energy: -166.357
where: short stacking energy: -79.665
Base-Backbone interact. energy: 0.020
local terms energy: -98.713677
where:
bonds (distance) C4'-P energy: -20.779
bonds (distance) P-C4' energy: -24.399
flat angles C4'-P-C4' energy: -24.400
flat angles P-C4'-P energy: -18.079
tors. eta vs tors. theta energy: -11.056
Dist. restrs. and SS energy: -36.000 (S_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: -285.871629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.871629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.671629 (E_RNA)
where:
Base-Base interactions energy: -148.312
where: short stacking energy: -68.660
Base-Backbone interact. energy: -0.242
local terms energy: -103.117972
where:
bonds (distance) C4'-P energy: -20.640
bonds (distance) P-C4' energy: -23.792
flat angles C4'-P-C4' energy: -22.900
flat angles P-C4'-P energy: -15.812
tors. eta vs tors. theta energy: -19.973
Dist. restrs. and SS energy: -34.200 (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: 2
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -254.976526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.976526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.976526 (E_RNA)
where:
Base-Base interactions energy: -135.525
where: short stacking energy: -63.584
Base-Backbone interact. energy: -0.352
local terms energy: -83.099916
where:
bonds (distance) C4'-P energy: -18.488
bonds (distance) P-C4' energy: -21.796
flat angles C4'-P-C4' energy: -15.599
flat angles P-C4'-P energy: -16.314
tors. eta vs tors. theta energy: -10.904
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -269.206500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.206500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.206500 (E_RNA)
where:
Base-Base interactions energy: -151.329
where: short stacking energy: -69.222
Base-Backbone interact. energy: -0.735
local terms energy: -81.142186
where:
bonds (distance) C4'-P energy: -11.223
bonds (distance) P-C4' energy: -24.029
flat angles C4'-P-C4' energy: -21.755
flat angles P-C4'-P energy: -12.650
tors. eta vs tors. theta energy: -11.485
Dist. restrs. and SS energy: -36.000 (S_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: 430
Temperature: 1.350000
Total energy: -240.302846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.302846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.302846 (E_RNA)
where:
Base-Base interactions energy: -140.765
where: short stacking energy: -54.668
Base-Backbone interact. energy: 1.102
local terms energy: -64.639675
where:
bonds (distance) C4'-P energy: -11.786
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -18.100
flat angles P-C4'-P energy: -13.926
tors. eta vs tors. theta energy: -5.781
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -404.013930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.013930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.413930 (E_RNA)
where:
Base-Base interactions energy: -249.554
where: short stacking energy: -96.007
Base-Backbone interact. energy: 2.792
local terms energy: -108.651456
where:
bonds (distance) C4'-P energy: -24.461
bonds (distance) P-C4' energy: -20.273
flat angles C4'-P-C4' energy: -20.074
flat angles P-C4'-P energy: -17.041
tors. eta vs tors. theta energy: -26.802
Dist. restrs. and SS energy: -48.600 (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: 10
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -410.647923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.647923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.247923 (E_RNA)
where:
Base-Base interactions energy: -248.743
where: short stacking energy: -103.973
Base-Backbone interact. energy: -0.435
local terms energy: -111.070077
where:
bonds (distance) C4'-P energy: -21.652
bonds (distance) P-C4' energy: -19.848
flat angles C4'-P-C4' energy: -28.027
flat angles P-C4'-P energy: -14.998
tors. eta vs tors. theta energy: -26.545
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -389.507056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.507056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.107056 (E_RNA)
where:
Base-Base interactions energy: -226.292
where: short stacking energy: -86.295
Base-Backbone interact. energy: -1.797
local terms energy: -111.018028
where:
bonds (distance) C4'-P energy: -23.319
bonds (distance) P-C4' energy: -23.616
flat angles C4'-P-C4' energy: -25.923
flat angles P-C4'-P energy: -16.155
tors. eta vs tors. theta energy: -22.006
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -386.408387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.408387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.008387 (E_RNA)
where:
Base-Base interactions energy: -238.444
where: short stacking energy: -96.725
Base-Backbone interact. energy: -1.165
local terms energy: -96.399439
where:
bonds (distance) C4'-P energy: -22.160
bonds (distance) P-C4' energy: -23.244
flat angles C4'-P-C4' energy: -15.821
flat angles P-C4'-P energy: -8.573
tors. eta vs tors. theta energy: -26.601
Dist. restrs. and SS energy: -50.400 (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: 4
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -337.425818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.425818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.425818 (E_RNA)
where:
Base-Base interactions energy: -202.272
where: short stacking energy: -83.785
Base-Backbone interact. energy: 0.173
local terms energy: -99.326641
where:
bonds (distance) C4'-P energy: -22.002
bonds (distance) P-C4' energy: -20.041
flat angles C4'-P-C4' energy: -20.346
flat angles P-C4'-P energy: -14.341
tors. eta vs tors. theta energy: -22.597
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -303.385486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.385486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.385486 (E_RNA)
where:
Base-Base interactions energy: -170.248
where: short stacking energy: -82.012
Base-Backbone interact. energy: 2.118
local terms energy: -99.255549
where:
bonds (distance) C4'-P energy: -15.515
bonds (distance) P-C4' energy: -26.901
flat angles C4'-P-C4' energy: -20.503
flat angles P-C4'-P energy: -16.605
tors. eta vs tors. theta energy: -19.731
Dist. restrs. and SS energy: -36.000 (S_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: 431
Temperature: 1.200000
Total energy: -287.814189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.814189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.214189 (E_RNA)
where:
Base-Base interactions energy: -169.979
where: short stacking energy: -77.337
Base-Backbone interact. energy: 1.035
local terms energy: -88.269842
where:
bonds (distance) C4'-P energy: -18.238
bonds (distance) P-C4' energy: -23.902
flat angles C4'-P-C4' energy: -20.599
flat angles P-C4'-P energy: -10.647
tors. eta vs tors. theta energy: -14.884
Dist. restrs. and SS energy: -30.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -267.002740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.002740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.002740 (E_RNA)
where:
Base-Base interactions energy: -149.261
where: short stacking energy: -63.321
Base-Backbone interact. energy: -0.411
local terms energy: -81.331231
where:
bonds (distance) C4'-P energy: -18.525
bonds (distance) P-C4' energy: -16.737
flat angles C4'-P-C4' energy: -22.230
flat angles P-C4'-P energy: -10.037
tors. eta vs tors. theta energy: -13.803
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -257.585447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.585447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.585447 (E_RNA)
where:
Base-Base interactions energy: -138.931
where: short stacking energy: -53.478
Base-Backbone interact. energy: -0.348
local terms energy: -82.306524
where:
bonds (distance) C4'-P energy: -22.038
bonds (distance) P-C4' energy: -19.996
flat angles C4'-P-C4' energy: -18.111
flat angles P-C4'-P energy: -12.595
tors. eta vs tors. theta energy: -9.566
Dist. restrs. and SS energy: -36.000 (S_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: 431
Temperature: 1.350000
Total energy: -264.287546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.287546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.287546 (E_RNA)
where:
Base-Base interactions energy: -139.670
where: short stacking energy: -60.950
Base-Backbone interact. energy: -0.270
local terms energy: -88.347898
where:
bonds (distance) C4'-P energy: -19.528
bonds (distance) P-C4' energy: -23.630
flat angles C4'-P-C4' energy: -19.620
flat angles P-C4'-P energy: -13.976
tors. eta vs tors. theta energy: -11.595
Dist. restrs. and SS energy: -36.000 (S_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: 432
Temperature: 0.900000
Total energy: -413.859459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.859459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.459459 (E_RNA)
where:
Base-Base interactions energy: -248.840
where: short stacking energy: -92.002
Base-Backbone interact. energy: -1.000
local terms energy: -113.619737
where:
bonds (distance) C4'-P energy: -23.812
bonds (distance) P-C4' energy: -22.266
flat angles C4'-P-C4' energy: -25.939
flat angles P-C4'-P energy: -15.194
tors. eta vs tors. theta energy: -26.407
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -411.548376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.548376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.948376 (E_RNA)
where:
Base-Base interactions energy: -260.574
where: short stacking energy: -105.301
Base-Backbone interact. energy: -0.637
local terms energy: -101.736769
where:
bonds (distance) C4'-P energy: -18.194
bonds (distance) P-C4' energy: -24.100
flat angles C4'-P-C4' energy: -22.681
flat angles P-C4'-P energy: -12.415
tors. eta vs tors. theta energy: -24.347
Dist. restrs. and SS energy: -48.600 (S_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: 432
Temperature: 1.000000
Total energy: -398.535212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.535212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.135212 (E_RNA)
where:
Base-Base interactions energy: -235.046
where: short stacking energy: -87.084
Base-Backbone interact. energy: -1.381
local terms energy: -111.708693
where:
bonds (distance) C4'-P energy: -23.208
bonds (distance) P-C4' energy: -22.160
flat angles C4'-P-C4' energy: -19.282
flat angles P-C4'-P energy: -16.860
tors. eta vs tors. theta energy: -30.200
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -384.024422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.024422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.624422 (E_RNA)
where:
Base-Base interactions energy: -228.900
where: short stacking energy: -97.963
Base-Backbone interact. energy: 0.775
local terms energy: -105.499748
where:
bonds (distance) C4'-P energy: -17.229
bonds (distance) P-C4' energy: -20.806
flat angles C4'-P-C4' energy: -21.885
flat angles P-C4'-P energy: -17.015
tors. eta vs tors. theta energy: -28.565
Dist. restrs. and SS energy: -50.400 (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: 4
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -346.270239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.270239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.270239 (E_RNA)
where:
Base-Base interactions energy: -206.368
where: short stacking energy: -96.805
Base-Backbone interact. energy: 0.551
local terms energy: -104.453187
where:
bonds (distance) C4'-P energy: -20.595
bonds (distance) P-C4' energy: -23.482
flat angles C4'-P-C4' energy: -21.996
flat angles P-C4'-P energy: -12.896
tors. eta vs tors. theta energy: -25.484
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -289.265552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.265552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.865552 (E_RNA)
where:
Base-Base interactions energy: -161.339
where: short stacking energy: -79.276
Base-Backbone interact. energy: -0.087
local terms energy: -95.439113
where:
bonds (distance) C4'-P energy: -20.616
bonds (distance) P-C4' energy: -16.208
flat angles C4'-P-C4' energy: -22.067
flat angles P-C4'-P energy: -15.847
tors. eta vs tors. theta energy: -20.701
Dist. restrs. and SS energy: -32.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -294.146855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.146855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.146855 (E_RNA)
where:
Base-Base interactions energy: -155.481
where: short stacking energy: -82.660
Base-Backbone interact. energy: -0.007
local terms energy: -102.658854
where:
bonds (distance) C4'-P energy: -17.693
bonds (distance) P-C4' energy: -25.610
flat angles C4'-P-C4' energy: -22.434
flat angles P-C4'-P energy: -15.084
tors. eta vs tors. theta energy: -21.837
Dist. restrs. and SS energy: -36.000 (S_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: 432
Temperature: 1.250000
Total energy: -257.205486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.205486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.005486 (E_RNA)
where:
Base-Base interactions energy: -134.291
where: short stacking energy: -66.963
Base-Backbone interact. energy: -0.911
local terms energy: -87.803193
where:
bonds (distance) C4'-P energy: -22.060
bonds (distance) P-C4' energy: -21.653
flat angles C4'-P-C4' energy: -15.158
flat angles P-C4'-P energy: -14.516
tors. eta vs tors. theta energy: -14.416
Dist. restrs. and SS energy: -34.200 (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: 6
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -282.248884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.248884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.248884 (E_RNA)
where:
Base-Base interactions energy: -150.382
where: short stacking energy: -60.590
Base-Backbone interact. energy: -0.096
local terms energy: -95.770787
where:
bonds (distance) C4'-P energy: -21.117
bonds (distance) P-C4' energy: -22.296
flat angles C4'-P-C4' energy: -17.425
flat angles P-C4'-P energy: -17.230
tors. eta vs tors. theta energy: -17.702
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -247.492725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.492725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.492725 (E_RNA)
where:
Base-Base interactions energy: -139.324
where: short stacking energy: -59.657
Base-Backbone interact. energy: 0.335
local terms energy: -72.503540
where:
bonds (distance) C4'-P energy: -16.697
bonds (distance) P-C4' energy: -14.805
flat angles C4'-P-C4' energy: -21.756
flat angles P-C4'-P energy: -8.910
tors. eta vs tors. theta energy: -10.336
Dist. restrs. and SS energy: -36.000 (S_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: 433
Temperature: 0.900000
Total energy: -413.149058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.149058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.749058 (E_RNA)
where:
Base-Base interactions energy: -258.118
where: short stacking energy: -101.534
Base-Backbone interact. energy: -0.744
local terms energy: -103.887340
where:
bonds (distance) C4'-P energy: -17.979
bonds (distance) P-C4' energy: -21.524
flat angles C4'-P-C4' energy: -21.935
flat angles P-C4'-P energy: -16.882
tors. eta vs tors. theta energy: -25.566
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -412.059897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.059897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.659897 (E_RNA)
where:
Base-Base interactions energy: -243.467
where: short stacking energy: -102.005
Base-Backbone interact. energy: -0.780
local terms energy: -117.413095
where:
bonds (distance) C4'-P energy: -20.522
bonds (distance) P-C4' energy: -25.488
flat angles C4'-P-C4' energy: -24.349
flat angles P-C4'-P energy: -19.618
tors. eta vs tors. theta energy: -27.437
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -404.579742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.579742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.179742 (E_RNA)
where:
Base-Base interactions energy: -248.908
where: short stacking energy: -95.111
Base-Backbone interact. energy: 0.642
local terms energy: -105.913766
where:
bonds (distance) C4'-P energy: -21.940
bonds (distance) P-C4' energy: -22.918
flat angles C4'-P-C4' energy: -19.585
flat angles P-C4'-P energy: -14.790
tors. eta vs tors. theta energy: -26.681
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -378.077049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.077049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.677049 (E_RNA)
where:
Base-Base interactions energy: -220.730
where: short stacking energy: -96.363
Base-Backbone interact. energy: -0.576
local terms energy: -106.371205
where:
bonds (distance) C4'-P energy: -15.247
bonds (distance) P-C4' energy: -22.425
flat angles C4'-P-C4' energy: -22.971
flat angles P-C4'-P energy: -16.207
tors. eta vs tors. theta energy: -29.522
Dist. restrs. and SS energy: -50.400 (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: 4
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -338.322441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.322441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.322441 (E_RNA)
where:
Base-Base interactions energy: -212.093
where: short stacking energy: -88.368
Base-Backbone interact. energy: -0.054
local terms energy: -90.175646
where:
bonds (distance) C4'-P energy: -17.416
bonds (distance) P-C4' energy: -24.021
flat angles C4'-P-C4' energy: -14.498
flat angles P-C4'-P energy: -17.479
tors. eta vs tors. theta energy: -16.762
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -299.236075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.236075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.236075 (E_RNA)
where:
Base-Base interactions energy: -165.784
where: short stacking energy: -79.017
Base-Backbone interact. energy: -0.106
local terms energy: -97.345273
where:
bonds (distance) C4'-P energy: -19.711
bonds (distance) P-C4' energy: -17.662
flat angles C4'-P-C4' energy: -25.135
flat angles P-C4'-P energy: -14.646
tors. eta vs tors. theta energy: -20.192
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -278.469050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.469050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.469050 (E_RNA)
where:
Base-Base interactions energy: -155.318
where: short stacking energy: -65.171
Base-Backbone interact. energy: -0.009
local terms energy: -87.142233
where:
bonds (distance) C4'-P energy: -18.728
bonds (distance) P-C4' energy: -23.394
flat angles C4'-P-C4' energy: -17.629
flat angles P-C4'-P energy: -12.903
tors. eta vs tors. theta energy: -14.489
Dist. restrs. and SS energy: -36.000 (S_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: 433
Temperature: 1.250000
Total energy: -289.510277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.510277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.510277 (E_RNA)
where:
Base-Base interactions energy: -164.484
where: short stacking energy: -75.623
Base-Backbone interact. energy: -0.110
local terms energy: -88.915382
where:
bonds (distance) C4'-P energy: -16.940
bonds (distance) P-C4' energy: -19.975
flat angles C4'-P-C4' energy: -21.734
flat angles P-C4'-P energy: -11.844
tors. eta vs tors. theta energy: -18.422
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -256.617206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.617206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.217206 (E_RNA)
where:
Base-Base interactions energy: -132.617
where: short stacking energy: -55.327
Base-Backbone interact. energy: -0.359
local terms energy: -82.241373
where:
bonds (distance) C4'-P energy: -18.028
bonds (distance) P-C4' energy: -21.487
flat angles C4'-P-C4' energy: -22.619
flat angles P-C4'-P energy: -14.774
tors. eta vs tors. theta energy: -5.332
Dist. restrs. and SS energy: -41.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -245.219483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.219483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.219483 (E_RNA)
where:
Base-Base interactions energy: -138.225
where: short stacking energy: -54.668
Base-Backbone interact. energy: -0.293
local terms energy: -70.701753
where:
bonds (distance) C4'-P energy: -22.632
bonds (distance) P-C4' energy: -17.944
flat angles C4'-P-C4' energy: -13.059
flat angles P-C4'-P energy: -5.959
tors. eta vs tors. theta energy: -11.108
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -415.562597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.562597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.162597 (E_RNA)
where:
Base-Base interactions energy: -254.547
where: short stacking energy: -104.860
Base-Backbone interact. energy: -0.270
local terms energy: -110.345304
where:
bonds (distance) C4'-P energy: -19.474
bonds (distance) P-C4' energy: -24.631
flat angles C4'-P-C4' energy: -24.920
flat angles P-C4'-P energy: -13.248
tors. eta vs tors. theta energy: -28.073
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -408.420936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.420936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.020936 (E_RNA)
where:
Base-Base interactions energy: -249.168
where: short stacking energy: -100.607
Base-Backbone interact. energy: -0.859
local terms energy: -107.994243
where:
bonds (distance) C4'-P energy: -20.163
bonds (distance) P-C4' energy: -25.703
flat angles C4'-P-C4' energy: -18.867
flat angles P-C4'-P energy: -16.554
tors. eta vs tors. theta energy: -26.707
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -405.287327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.287327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.887327 (E_RNA)
where:
Base-Base interactions energy: -246.585
where: short stacking energy: -92.049
Base-Backbone interact. energy: -0.635
local terms energy: -107.667759
where:
bonds (distance) C4'-P energy: -21.153
bonds (distance) P-C4' energy: -24.606
flat angles C4'-P-C4' energy: -22.509
flat angles P-C4'-P energy: -11.136
tors. eta vs tors. theta energy: -28.264
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -387.408863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.408863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.808863 (E_RNA)
where:
Base-Base interactions energy: -240.381
where: short stacking energy: -97.059
Base-Backbone interact. energy: -1.718
local terms energy: -96.710221
where:
bonds (distance) C4'-P energy: -19.158
bonds (distance) P-C4' energy: -16.377
flat angles C4'-P-C4' energy: -22.245
flat angles P-C4'-P energy: -12.550
tors. eta vs tors. theta energy: -26.381
Dist. restrs. and SS energy: -48.600 (S_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: 434
Temperature: 1.100000
Total energy: -324.909812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.909812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.909812 (E_RNA)
where:
Base-Base interactions energy: -177.105
where: short stacking energy: -76.118
Base-Backbone interact. energy: -0.180
local terms energy: -111.625056
where:
bonds (distance) C4'-P energy: -23.950
bonds (distance) P-C4' energy: -23.198
flat angles C4'-P-C4' energy: -26.077
flat angles P-C4'-P energy: -15.280
tors. eta vs tors. theta energy: -23.120
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -301.095282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.095282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.095282 (E_RNA)
where:
Base-Base interactions energy: -170.386
where: short stacking energy: -92.980
Base-Backbone interact. energy: -0.100
local terms energy: -94.609767
where:
bonds (distance) C4'-P energy: -20.387
bonds (distance) P-C4' energy: -19.664
flat angles C4'-P-C4' energy: -23.013
flat angles P-C4'-P energy: -5.011
tors. eta vs tors. theta energy: -26.535
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -286.990842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.990842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.990842 (E_RNA)
where:
Base-Base interactions energy: -155.854
where: short stacking energy: -78.123
Base-Backbone interact. energy: 1.377
local terms energy: -96.514005
where:
bonds (distance) C4'-P energy: -23.534
bonds (distance) P-C4' energy: -25.792
flat angles C4'-P-C4' energy: -16.752
flat angles P-C4'-P energy: -11.391
tors. eta vs tors. theta energy: -19.045
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -289.549553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.549553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.349553 (E_RNA)
where:
Base-Base interactions energy: -166.576
where: short stacking energy: -67.445
Base-Backbone interact. energy: -0.247
local terms energy: -88.526550
where:
bonds (distance) C4'-P energy: -21.054
bonds (distance) P-C4' energy: -18.492
flat angles C4'-P-C4' energy: -15.933
flat angles P-C4'-P energy: -15.740
tors. eta vs tors. theta energy: -17.308
Dist. restrs. and SS energy: -34.200 (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: 9
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -255.068404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.068404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.068404 (E_RNA)
where:
Base-Base interactions energy: -135.200
where: short stacking energy: -61.891
Base-Backbone interact. energy: -0.349
local terms energy: -83.519539
where:
bonds (distance) C4'-P energy: -19.764
bonds (distance) P-C4' energy: -21.827
flat angles C4'-P-C4' energy: -15.453
flat angles P-C4'-P energy: -12.925
tors. eta vs tors. theta energy: -13.551
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -261.837609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.837609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.837609 (E_RNA)
where:
Base-Base interactions energy: -132.751
where: short stacking energy: -62.759
Base-Backbone interact. energy: 0.264
local terms energy: -93.350210
where:
bonds (distance) C4'-P energy: -17.374
bonds (distance) P-C4' energy: -23.044
flat angles C4'-P-C4' energy: -23.397
flat angles P-C4'-P energy: -16.770
tors. eta vs tors. theta energy: -12.764
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -416.227089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.227089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.827089 (E_RNA)
where:
Base-Base interactions energy: -255.750
where: short stacking energy: -92.046
Base-Backbone interact. energy: -0.691
local terms energy: -109.386335
where:
bonds (distance) C4'-P energy: -20.617
bonds (distance) P-C4' energy: -23.584
flat angles C4'-P-C4' energy: -20.755
flat angles P-C4'-P energy: -12.886
tors. eta vs tors. theta energy: -31.544
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -411.879296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.879296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.279296 (E_RNA)
where:
Base-Base interactions energy: -257.431
where: short stacking energy: -101.164
Base-Backbone interact. energy: -0.496
local terms energy: -105.352291
where:
bonds (distance) C4'-P energy: -16.871
bonds (distance) P-C4' energy: -25.295
flat angles C4'-P-C4' energy: -21.583
flat angles P-C4'-P energy: -13.303
tors. eta vs tors. theta energy: -28.301
Dist. restrs. and SS energy: -48.600 (S_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: 435
Temperature: 1.000000
Total energy: -407.939214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.939214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.539214 (E_RNA)
where:
Base-Base interactions energy: -253.166
where: short stacking energy: -92.497
Base-Backbone interact. energy: -0.749
local terms energy: -103.624326
where:
bonds (distance) C4'-P energy: -19.780
bonds (distance) P-C4' energy: -24.414
flat angles C4'-P-C4' energy: -19.556
flat angles P-C4'-P energy: -17.865
tors. eta vs tors. theta energy: -22.009
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -384.263018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.263018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.863018 (E_RNA)
where:
Base-Base interactions energy: -227.246
where: short stacking energy: -84.850
Base-Backbone interact. energy: -0.461
local terms energy: -106.155899
where:
bonds (distance) C4'-P energy: -22.445
bonds (distance) P-C4' energy: -24.595
flat angles C4'-P-C4' energy: -22.103
flat angles P-C4'-P energy: -10.745
tors. eta vs tors. theta energy: -26.268
Dist. restrs. and SS energy: -50.400 (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: 4
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -303.892933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.892933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.892933 (E_RNA)
where:
Base-Base interactions energy: -169.730
where: short stacking energy: -82.047
Base-Backbone interact. energy: -0.166
local terms energy: -97.996912
where:
bonds (distance) C4'-P energy: -22.773
bonds (distance) P-C4' energy: -23.098
flat angles C4'-P-C4' energy: -20.716
flat angles P-C4'-P energy: -12.138
tors. eta vs tors. theta energy: -19.271
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -292.538393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.538393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.538393 (E_RNA)
where:
Base-Base interactions energy: -161.097
where: short stacking energy: -77.982
Base-Backbone interact. energy: -0.236
local terms energy: -95.205486
where:
bonds (distance) C4'-P energy: -22.305
bonds (distance) P-C4' energy: -18.903
flat angles C4'-P-C4' energy: -17.539
flat angles P-C4'-P energy: -13.722
tors. eta vs tors. theta energy: -22.736
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -280.696779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.696779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.696779 (E_RNA)
where:
Base-Base interactions energy: -144.085
where: short stacking energy: -65.336
Base-Backbone interact. energy: -0.008
local terms energy: -100.603797
where:
bonds (distance) C4'-P energy: -22.661
bonds (distance) P-C4' energy: -23.365
flat angles C4'-P-C4' energy: -19.610
flat angles P-C4'-P energy: -18.482
tors. eta vs tors. theta energy: -16.487
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -299.796106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.796106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.796106 (E_RNA)
where:
Base-Base interactions energy: -167.261
where: short stacking energy: -70.260
Base-Backbone interact. energy: -0.547
local terms energy: -95.987985
where:
bonds (distance) C4'-P energy: -17.263
bonds (distance) P-C4' energy: -23.456
flat angles C4'-P-C4' energy: -21.208
flat angles P-C4'-P energy: -13.552
tors. eta vs tors. theta energy: -20.510
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -251.135084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.135084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.935084 (E_RNA)
where:
Base-Base interactions energy: -130.746
where: short stacking energy: -63.831
Base-Backbone interact. energy: -0.768
local terms energy: -85.420850
where:
bonds (distance) C4'-P energy: -13.398
bonds (distance) P-C4' energy: -25.964
flat angles C4'-P-C4' energy: -21.991
flat angles P-C4'-P energy: -13.260
tors. eta vs tors. theta energy: -10.809
Dist. restrs. and SS energy: -34.200 (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: 2
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -251.699517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.699517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.099517 (E_RNA)
where:
Base-Base interactions energy: -149.970
where: short stacking energy: -68.686
Base-Backbone interact. energy: -0.562
local terms energy: -70.567481
where:
bonds (distance) C4'-P energy: -14.820
bonds (distance) P-C4' energy: -23.208
flat angles C4'-P-C4' energy: -18.362
flat angles P-C4'-P energy: -3.422
tors. eta vs tors. theta energy: -10.755
Dist. restrs. and SS energy: -30.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -424.133884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.133884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.533884 (E_RNA)
where:
Base-Base interactions energy: -251.337
where: short stacking energy: -93.470
Base-Backbone interact. energy: -1.091
local terms energy: -123.106001
where:
bonds (distance) C4'-P energy: -27.463
bonds (distance) P-C4' energy: -25.675
flat angles C4'-P-C4' energy: -24.133
flat angles P-C4'-P energy: -17.387
tors. eta vs tors. theta energy: -28.449
Dist. restrs. and SS energy: -48.600 (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: 7
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -409.029976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.029976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.629976 (E_RNA)
where:
Base-Base interactions energy: -247.679
where: short stacking energy: -89.480
Base-Backbone interact. energy: -0.255
local terms energy: -110.696350
where:
bonds (distance) C4'-P energy: -21.361
bonds (distance) P-C4' energy: -18.656
flat angles C4'-P-C4' energy: -24.394
flat angles P-C4'-P energy: -19.463
tors. eta vs tors. theta energy: -26.822
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -403.566329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.566329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.166329 (E_RNA)
where:
Base-Base interactions energy: -240.453
where: short stacking energy: -100.695
Base-Backbone interact. energy: -0.268
local terms energy: -112.445551
where:
bonds (distance) C4'-P energy: -16.903
bonds (distance) P-C4' energy: -25.942
flat angles C4'-P-C4' energy: -24.449
flat angles P-C4'-P energy: -21.142
tors. eta vs tors. theta energy: -24.009
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -380.079216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.079216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.479216 (E_RNA)
where:
Base-Base interactions energy: -224.915
where: short stacking energy: -88.287
Base-Backbone interact. energy: -1.528
local terms energy: -105.035798
where:
bonds (distance) C4'-P energy: -23.991
bonds (distance) P-C4' energy: -13.994
flat angles C4'-P-C4' energy: -23.459
flat angles P-C4'-P energy: -19.224
tors. eta vs tors. theta energy: -24.367
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -309.009517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.009517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.809517 (E_RNA)
where:
Base-Base interactions energy: -186.176
where: short stacking energy: -68.100
Base-Backbone interact. energy: -0.165
local terms energy: -79.468229
where:
bonds (distance) C4'-P energy: -21.686
bonds (distance) P-C4' energy: -20.937
flat angles C4'-P-C4' energy: -11.653
flat angles P-C4'-P energy: -12.777
tors. eta vs tors. theta energy: -12.415
Dist. restrs. and SS energy: -43.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -291.343192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.343192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.943192 (E_RNA)
where:
Base-Base interactions energy: -168.796
where: short stacking energy: -85.563
Base-Backbone interact. energy: 0.627
local terms energy: -90.773483
where:
bonds (distance) C4'-P energy: -21.500
bonds (distance) P-C4' energy: -19.038
flat angles C4'-P-C4' energy: -19.096
flat angles P-C4'-P energy: -14.065
tors. eta vs tors. theta energy: -17.075
Dist. restrs. and SS energy: -32.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -302.431477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.431477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.431477 (E_RNA)
where:
Base-Base interactions energy: -176.414
where: short stacking energy: -89.041
Base-Backbone interact. energy: 3.372
local terms energy: -93.388944
where:
bonds (distance) C4'-P energy: -18.477
bonds (distance) P-C4' energy: -15.309
flat angles C4'-P-C4' energy: -18.705
flat angles P-C4'-P energy: -18.150
tors. eta vs tors. theta energy: -22.748
Dist. restrs. and SS energy: -36.000 (S_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: 436
Temperature: 1.250000
Total energy: -282.523842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.523842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.523842 (E_RNA)
where:
Base-Base interactions energy: -161.108
where: short stacking energy: -66.874
Base-Backbone interact. energy: -0.444
local terms energy: -84.972125
where:
bonds (distance) C4'-P energy: -17.648
bonds (distance) P-C4' energy: -18.265
flat angles C4'-P-C4' energy: -23.201
flat angles P-C4'-P energy: -13.627
tors. eta vs tors. theta energy: -12.230
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -255.442205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.442205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.442205 (E_RNA)
where:
Base-Base interactions energy: -135.955
where: short stacking energy: -59.006
Base-Backbone interact. energy: 0.375
local terms energy: -83.862568
where:
bonds (distance) C4'-P energy: -21.721
bonds (distance) P-C4' energy: -22.909
flat angles C4'-P-C4' energy: -18.526
flat angles P-C4'-P energy: -16.039
tors. eta vs tors. theta energy: -4.667
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -242.791189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.791189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.791189 (E_RNA)
where:
Base-Base interactions energy: -125.621
where: short stacking energy: -53.080
Base-Backbone interact. energy: -0.360
local terms energy: -80.810302
where:
bonds (distance) C4'-P energy: -19.186
bonds (distance) P-C4' energy: -21.590
flat angles C4'-P-C4' energy: -20.294
flat angles P-C4'-P energy: -11.808
tors. eta vs tors. theta energy: -7.932
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -425.673845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.673845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.273845 (E_RNA)
where:
Base-Base interactions energy: -265.206
where: short stacking energy: -106.944
Base-Backbone interact. energy: -0.700
local terms energy: -109.367002
where:
bonds (distance) C4'-P energy: -18.177
bonds (distance) P-C4' energy: -24.303
flat angles C4'-P-C4' energy: -21.826
flat angles P-C4'-P energy: -17.337
tors. eta vs tors. theta energy: -27.724
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -398.640118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.640118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.840118 (E_RNA)
where:
Base-Base interactions energy: -239.115
where: short stacking energy: -95.465
Base-Backbone interact. energy: -1.388
local terms energy: -111.336909
where:
bonds (distance) C4'-P energy: -23.779
bonds (distance) P-C4' energy: -23.933
flat angles C4'-P-C4' energy: -24.544
flat angles P-C4'-P energy: -15.418
tors. eta vs tors. theta energy: -23.663
Dist. restrs. and SS energy: -46.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -396.317961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.317961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.917961 (E_RNA)
where:
Base-Base interactions energy: -245.884
where: short stacking energy: -98.536
Base-Backbone interact. energy: -0.646
local terms energy: -99.387913
where:
bonds (distance) C4'-P energy: -20.692
bonds (distance) P-C4' energy: -19.707
flat angles C4'-P-C4' energy: -23.030
flat angles P-C4'-P energy: -8.989
tors. eta vs tors. theta energy: -26.970
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -382.037142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.037142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.437142 (E_RNA)
where:
Base-Base interactions energy: -230.193
where: short stacking energy: -98.635
Base-Backbone interact. energy: -0.088
local terms energy: -103.156448
where:
bonds (distance) C4'-P energy: -20.340
bonds (distance) P-C4' energy: -24.349
flat angles C4'-P-C4' energy: -16.400
flat angles P-C4'-P energy: -16.545
tors. eta vs tors. theta energy: -25.523
Dist. restrs. and SS energy: -48.600 (S_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: 437
Temperature: 1.100000
Total energy: -317.121566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.121566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.921566 (E_RNA)
where:
Base-Base interactions energy: -174.614
where: short stacking energy: -84.418
Base-Backbone interact. energy: -0.066
local terms energy: -99.241617
where:
bonds (distance) C4'-P energy: -23.792
bonds (distance) P-C4' energy: -14.826
flat angles C4'-P-C4' energy: -25.554
flat angles P-C4'-P energy: -14.698
tors. eta vs tors. theta energy: -20.372
Dist. restrs. and SS energy: -43.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -289.238709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.238709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.238709 (E_RNA)
where:
Base-Base interactions energy: -165.409
where: short stacking energy: -83.696
Base-Backbone interact. energy: 0.294
local terms energy: -88.123518
where:
bonds (distance) C4'-P energy: -10.579
bonds (distance) P-C4' energy: -23.734
flat angles C4'-P-C4' energy: -17.768
flat angles P-C4'-P energy: -14.100
tors. eta vs tors. theta energy: -21.942
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -254.949768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.949768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.949768 (E_RNA)
where:
Base-Base interactions energy: -145.148
where: short stacking energy: -56.252
Base-Backbone interact. energy: -1.173
local terms energy: -72.628560
where:
bonds (distance) C4'-P energy: -21.522
bonds (distance) P-C4' energy: -22.872
flat angles C4'-P-C4' energy: -18.466
flat angles P-C4'-P energy: -6.468
tors. eta vs tors. theta energy: -3.301
Dist. restrs. and SS energy: -36.000 (S_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: 437
Temperature: 1.250000
Total energy: -260.970788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.970788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.970788 (E_RNA)
where:
Base-Base interactions energy: -145.531
where: short stacking energy: -62.945
Base-Backbone interact. energy: -0.446
local terms energy: -78.993357
where:
bonds (distance) C4'-P energy: -20.083
bonds (distance) P-C4' energy: -17.930
flat angles C4'-P-C4' energy: -20.382
flat angles P-C4'-P energy: -14.385
tors. eta vs tors. theta energy: -6.213
Dist. restrs. and SS energy: -36.000 (S_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: 437
Temperature: 1.300000
Total energy: -259.999600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.999600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.999600 (E_RNA)
where:
Base-Base interactions energy: -155.176
where: short stacking energy: -59.313
Base-Backbone interact. energy: 0.054
local terms energy: -68.877366
where:
bonds (distance) C4'-P energy: -18.175
bonds (distance) P-C4' energy: -14.006
flat angles C4'-P-C4' energy: -15.687
flat angles P-C4'-P energy: -11.357
tors. eta vs tors. theta energy: -9.652
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -248.057477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.057477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.057477 (E_RNA)
where:
Base-Base interactions energy: -139.725
where: short stacking energy: -68.197
Base-Backbone interact. energy: 0.100
local terms energy: -72.432864
where:
bonds (distance) C4'-P energy: -13.114
bonds (distance) P-C4' energy: -20.649
flat angles C4'-P-C4' energy: -13.001
flat angles P-C4'-P energy: -11.526
tors. eta vs tors. theta energy: -14.143
Dist. restrs. and SS energy: -36.000 (S_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: 438
Temperature: 0.900000
Total energy: -400.960797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.960797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.560797 (E_RNA)
where:
Base-Base interactions energy: -241.914
where: short stacking energy: -101.883
Base-Backbone interact. energy: -0.586
local terms energy: -108.060888
where:
bonds (distance) C4'-P energy: -19.142
bonds (distance) P-C4' energy: -24.670
flat angles C4'-P-C4' energy: -23.025
flat angles P-C4'-P energy: -15.932
tors. eta vs tors. theta energy: -25.292
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -410.557957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.557957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.157957 (E_RNA)
where:
Base-Base interactions energy: -256.252
where: short stacking energy: -106.912
Base-Backbone interact. energy: -0.482
local terms energy: -103.423683
where:
bonds (distance) C4'-P energy: -22.276
bonds (distance) P-C4' energy: -23.457
flat angles C4'-P-C4' energy: -19.547
flat angles P-C4'-P energy: -11.370
tors. eta vs tors. theta energy: -26.773
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -393.793057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.793057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.393057 (E_RNA)
where:
Base-Base interactions energy: -236.129
where: short stacking energy: -91.806
Base-Backbone interact. energy: -0.479
local terms energy: -106.785539
where:
bonds (distance) C4'-P energy: -19.012
bonds (distance) P-C4' energy: -22.076
flat angles C4'-P-C4' energy: -20.434
flat angles P-C4'-P energy: -19.038
tors. eta vs tors. theta energy: -26.225
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -391.105727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.105727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.505727 (E_RNA)
where:
Base-Base interactions energy: -232.546
where: short stacking energy: -102.402
Base-Backbone interact. energy: -0.930
local terms energy: -109.029643
where:
bonds (distance) C4'-P energy: -20.686
bonds (distance) P-C4' energy: -27.284
flat angles C4'-P-C4' energy: -19.398
flat angles P-C4'-P energy: -13.873
tors. eta vs tors. theta energy: -27.789
Dist. restrs. and SS energy: -48.600 (S_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: 438
Temperature: 1.100000
Total energy: -299.409081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.409081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.409081 (E_RNA)
where:
Base-Base interactions energy: -164.832
where: short stacking energy: -79.218
Base-Backbone interact. energy: -0.067
local terms energy: -98.509546
where:
bonds (distance) C4'-P energy: -20.551
bonds (distance) P-C4' energy: -26.171
flat angles C4'-P-C4' energy: -16.576
flat angles P-C4'-P energy: -16.259
tors. eta vs tors. theta energy: -18.953
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -293.732565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.732565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.532565 (E_RNA)
where:
Base-Base interactions energy: -164.381
where: short stacking energy: -84.355
Base-Backbone interact. energy: 2.120
local terms energy: -97.271008
where:
bonds (distance) C4'-P energy: -19.636
bonds (distance) P-C4' energy: -19.321
flat angles C4'-P-C4' energy: -23.900
flat angles P-C4'-P energy: -14.010
tors. eta vs tors. theta energy: -20.403
Dist. restrs. and SS energy: -34.200 (S_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: 438
Temperature: 1.200000
Total energy: -279.972282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.972282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.972282 (E_RNA)
where:
Base-Base interactions energy: -152.595
where: short stacking energy: -59.748
Base-Backbone interact. energy: -0.795
local terms energy: -90.581735
where:
bonds (distance) C4'-P energy: -21.536
bonds (distance) P-C4' energy: -15.750
flat angles C4'-P-C4' energy: -20.807
flat angles P-C4'-P energy: -17.776
tors. eta vs tors. theta energy: -14.713
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -258.308630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.308630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.308630 (E_RNA)
where:
Base-Base interactions energy: -132.012
where: short stacking energy: -65.967
Base-Backbone interact. energy: 0.907
local terms energy: -91.202888
where:
bonds (distance) C4'-P energy: -15.217
bonds (distance) P-C4' energy: -21.766
flat angles C4'-P-C4' energy: -22.264
flat angles P-C4'-P energy: -16.980
tors. eta vs tors. theta energy: -14.975
Dist. restrs. and SS energy: -36.000 (S_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: 438
Temperature: 1.300000
Total energy: -263.586877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.586877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.586877 (E_RNA)
where:
Base-Base interactions energy: -147.842
where: short stacking energy: -57.641
Base-Backbone interact. energy: 1.836
local terms energy: -81.580812
where:
bonds (distance) C4'-P energy: -13.828
bonds (distance) P-C4' energy: -24.909
flat angles C4'-P-C4' energy: -21.725
flat angles P-C4'-P energy: -10.574
tors. eta vs tors. theta energy: -10.544
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -240.881017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.881017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.881017 (E_RNA)
where:
Base-Base interactions energy: -130.363
where: short stacking energy: -59.458
Base-Backbone interact. energy: 0.290
local terms energy: -74.807730
where:
bonds (distance) C4'-P energy: -24.098
bonds (distance) P-C4' energy: -21.184
flat angles C4'-P-C4' energy: -16.206
flat angles P-C4'-P energy: -9.205
tors. eta vs tors. theta energy: -4.114
Dist. restrs. and SS energy: -36.000 (S_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: 439
Temperature: 0.900000
Total energy: -393.490143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.490143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.090143 (E_RNA)
where:
Base-Base interactions energy: -241.471
where: short stacking energy: -100.572
Base-Backbone interact. energy: -0.496
local terms energy: -101.123031
where:
bonds (distance) C4'-P energy: -23.364
bonds (distance) P-C4' energy: -21.456
flat angles C4'-P-C4' energy: -17.917
flat angles P-C4'-P energy: -13.492
tors. eta vs tors. theta energy: -24.894
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -406.169650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.169650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.569650 (E_RNA)
where:
Base-Base interactions energy: -250.750
where: short stacking energy: -99.753
Base-Backbone interact. energy: -0.680
local terms energy: -106.139705
where:
bonds (distance) C4'-P energy: -19.696
bonds (distance) P-C4' energy: -18.164
flat angles C4'-P-C4' energy: -24.224
flat angles P-C4'-P energy: -17.517
tors. eta vs tors. theta energy: -26.539
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -377.567528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.567528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.967528 (E_RNA)
where:
Base-Base interactions energy: -235.158
where: short stacking energy: -105.588
Base-Backbone interact. energy: 1.826
local terms energy: -95.635437
where:
bonds (distance) C4'-P energy: -15.779
bonds (distance) P-C4' energy: -17.306
flat angles C4'-P-C4' energy: -18.889
flat angles P-C4'-P energy: -17.553
tors. eta vs tors. theta energy: -26.109
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -388.118788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.118788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.718788 (E_RNA)
where:
Base-Base interactions energy: -238.184
where: short stacking energy: -97.125
Base-Backbone interact. energy: -0.404
local terms energy: -99.131140
where:
bonds (distance) C4'-P energy: -25.620
bonds (distance) P-C4' energy: -25.455
flat angles C4'-P-C4' energy: -9.477
flat angles P-C4'-P energy: -12.594
tors. eta vs tors. theta energy: -25.986
Dist. restrs. and SS energy: -50.400 (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: 4
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -309.405715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.405715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.405715 (E_RNA)
where:
Base-Base interactions energy: -166.168
where: short stacking energy: -70.451
Base-Backbone interact. energy: -0.156
local terms energy: -107.082298
where:
bonds (distance) C4'-P energy: -24.279
bonds (distance) P-C4' energy: -23.056
flat angles C4'-P-C4' energy: -23.914
flat angles P-C4'-P energy: -15.899
tors. eta vs tors. theta energy: -19.935
Dist. restrs. and SS energy: -36.000 (S_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: 439
Temperature: 1.150000
Total energy: -286.753289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.753289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.753289 (E_RNA)
where:
Base-Base interactions energy: -157.219
where: short stacking energy: -79.645
Base-Backbone interact. energy: -0.242
local terms energy: -93.291837
where:
bonds (distance) C4'-P energy: -23.906
bonds (distance) P-C4' energy: -24.088
flat angles C4'-P-C4' energy: -19.865
flat angles P-C4'-P energy: -10.216
tors. eta vs tors. theta energy: -15.217
Dist. restrs. and SS energy: -36.000 (S_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: 439
Temperature: 1.200000
Total energy: -288.780274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.780274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.780274 (E_RNA)
where:
Base-Base interactions energy: -166.885
where: short stacking energy: -80.416
Base-Backbone interact. energy: -0.142
local terms energy: -85.753787
where:
bonds (distance) C4'-P energy: -14.575
bonds (distance) P-C4' energy: -21.375
flat angles C4'-P-C4' energy: -18.282
flat angles P-C4'-P energy: -12.580
tors. eta vs tors. theta energy: -18.941
Dist. restrs. and SS energy: -36.000 (S_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: 439
Temperature: 1.250000
Total energy: -261.222559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.222559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.222559 (E_RNA)
where:
Base-Base interactions energy: -148.287
where: short stacking energy: -75.272
Base-Backbone interact. energy: -0.337
local terms energy: -76.598764
where:
bonds (distance) C4'-P energy: -20.946
bonds (distance) P-C4' energy: -18.969
flat angles C4'-P-C4' energy: -20.504
flat angles P-C4'-P energy: -5.927
tors. eta vs tors. theta energy: -10.253
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -261.918918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.918918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.918918 (E_RNA)
where:
Base-Base interactions energy: -145.163
where: short stacking energy: -60.691
Base-Backbone interact. energy: -0.502
local terms energy: -80.254838
where:
bonds (distance) C4'-P energy: -22.027
bonds (distance) P-C4' energy: -20.699
flat angles C4'-P-C4' energy: -15.110
flat angles P-C4'-P energy: -12.746
tors. eta vs tors. theta energy: -9.672
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -256.185735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.185735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.185735 (E_RNA)
where:
Base-Base interactions energy: -133.947
where: short stacking energy: -61.438
Base-Backbone interact. energy: -0.178
local terms energy: -86.061244
where:
bonds (distance) C4'-P energy: -17.536
bonds (distance) P-C4' energy: -18.680
flat angles C4'-P-C4' energy: -22.161
flat angles P-C4'-P energy: -14.128
tors. eta vs tors. theta energy: -13.556
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -409.959472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.959472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.559472 (E_RNA)
where:
Base-Base interactions energy: -247.365
where: short stacking energy: -103.006
Base-Backbone interact. energy: -1.393
local terms energy: -110.802343
where:
bonds (distance) C4'-P energy: -24.040
bonds (distance) P-C4' energy: -18.552
flat angles C4'-P-C4' energy: -24.815
flat angles P-C4'-P energy: -14.703
tors. eta vs tors. theta energy: -28.693
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -398.899187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.899187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.499187 (E_RNA)
where:
Base-Base interactions energy: -237.816
where: short stacking energy: -95.966
Base-Backbone interact. energy: -1.186
local terms energy: -109.496961
where:
bonds (distance) C4'-P energy: -23.580
bonds (distance) P-C4' energy: -23.620
flat angles C4'-P-C4' energy: -21.429
flat angles P-C4'-P energy: -15.929
tors. eta vs tors. theta energy: -24.939
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -379.269415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.269415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.669415 (E_RNA)
where:
Base-Base interactions energy: -231.776
where: short stacking energy: -89.894
Base-Backbone interact. energy: -0.185
local terms energy: -98.708029
where:
bonds (distance) C4'-P energy: -19.936
bonds (distance) P-C4' energy: -19.766
flat angles C4'-P-C4' energy: -21.053
flat angles P-C4'-P energy: -14.544
tors. eta vs tors. theta energy: -23.409
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -383.321211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.321211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.921211 (E_RNA)
where:
Base-Base interactions energy: -228.766
where: short stacking energy: -83.282
Base-Backbone interact. energy: -1.206
local terms energy: -102.949414
where:
bonds (distance) C4'-P energy: -19.108
bonds (distance) P-C4' energy: -18.643
flat angles C4'-P-C4' energy: -19.649
flat angles P-C4'-P energy: -19.317
tors. eta vs tors. theta energy: -26.232
Dist. restrs. and SS energy: -50.400 (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: 4
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -304.583731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.583731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.583731 (E_RNA)
where:
Base-Base interactions energy: -179.648
where: short stacking energy: -91.784
Base-Backbone interact. energy: -0.358
local terms energy: -88.577282
where:
bonds (distance) C4'-P energy: -14.908
bonds (distance) P-C4' energy: -23.001
flat angles C4'-P-C4' energy: -12.993
flat angles P-C4'-P energy: -18.010
tors. eta vs tors. theta energy: -19.665
Dist. restrs. and SS energy: -36.000 (S_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: 440
Temperature: 1.150000
Total energy: -294.099465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.099465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.099465 (E_RNA)
where:
Base-Base interactions energy: -159.431
where: short stacking energy: -73.151
Base-Backbone interact. energy: -1.134
local terms energy: -97.534279
where:
bonds (distance) C4'-P energy: -21.178
bonds (distance) P-C4' energy: -21.048
flat angles C4'-P-C4' energy: -18.260
flat angles P-C4'-P energy: -17.427
tors. eta vs tors. theta energy: -19.621
Dist. restrs. and SS energy: -36.000 (S_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: -278.826028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.826028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.626028 (E_RNA)
where:
Base-Base interactions energy: -145.307
where: short stacking energy: -62.977
Base-Backbone interact. energy: 0.372
local terms energy: -99.690911
where:
bonds (distance) C4'-P energy: -22.115
bonds (distance) P-C4' energy: -22.283
flat angles C4'-P-C4' energy: -21.596
flat angles P-C4'-P energy: -19.730
tors. eta vs tors. theta energy: -13.966
Dist. restrs. and SS energy: -34.200 (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: 6
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -266.307367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.307367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.107367 (E_RNA)
where:
Base-Base interactions energy: -144.348
where: short stacking energy: -68.781
Base-Backbone interact. energy: -0.731
local terms energy: -87.027951
where:
bonds (distance) C4'-P energy: -15.162
bonds (distance) P-C4' energy: -23.955
flat angles C4'-P-C4' energy: -19.881
flat angles P-C4'-P energy: -17.675
tors. eta vs tors. theta energy: -10.355
Dist. restrs. and SS energy: -34.200 (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: 9
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -263.830392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.830392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.630392 (E_RNA)
where:
Base-Base interactions energy: -152.606
where: short stacking energy: -53.805
Base-Backbone interact. energy: 0.563
local terms energy: -68.587393
where:
bonds (distance) C4'-P energy: -22.279
bonds (distance) P-C4' energy: -21.009
flat angles C4'-P-C4' energy: -14.524
flat angles P-C4'-P energy: -8.880
tors. eta vs tors. theta energy: -1.895
Dist. restrs. and SS energy: -43.200 (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: 8
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -249.519415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.519415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.319415 (E_RNA)
where:
Base-Base interactions energy: -131.257
where: short stacking energy: -62.062
Base-Backbone interact. energy: -0.269
local terms energy: -83.793514
where:
bonds (distance) C4'-P energy: -12.983
bonds (distance) P-C4' energy: -17.785
flat angles C4'-P-C4' energy: -26.363
flat angles P-C4'-P energy: -15.145
tors. eta vs tors. theta energy: -11.518
Dist. restrs. and SS energy: -34.200 (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: 5
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -413.707982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.707982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.307982 (E_RNA)
where:
Base-Base interactions energy: -253.395
where: short stacking energy: -97.871
Base-Backbone interact. energy: -0.642
local terms energy: -109.271437
where:
bonds (distance) C4'-P energy: -21.263
bonds (distance) P-C4' energy: -23.973
flat angles C4'-P-C4' energy: -23.922
flat angles P-C4'-P energy: -13.067
tors. eta vs tors. theta energy: -27.047
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -407.945533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.945533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.945533 (E_RNA)
where:
Base-Base interactions energy: -250.783
where: short stacking energy: -103.704
Base-Backbone interact. energy: -0.403
local terms energy: -111.758728
where:
bonds (distance) C4'-P energy: -23.354
bonds (distance) P-C4' energy: -18.711
flat angles C4'-P-C4' energy: -23.709
flat angles P-C4'-P energy: -16.566
tors. eta vs tors. theta energy: -29.418
Dist. restrs. and SS energy: -45.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -391.476899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.476899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.076899 (E_RNA)
where:
Base-Base interactions energy: -238.685
where: short stacking energy: -101.010
Base-Backbone interact. energy: -0.377
local terms energy: -102.014791
where:
bonds (distance) C4'-P energy: -13.939
bonds (distance) P-C4' energy: -24.404
flat angles C4'-P-C4' energy: -22.096
flat angles P-C4'-P energy: -16.409
tors. eta vs tors. theta energy: -25.168
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -390.561580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.561580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.161580 (E_RNA)
where:
Base-Base interactions energy: -242.357
where: short stacking energy: -97.837
Base-Backbone interact. energy: -0.355
local terms energy: -97.450221
where:
bonds (distance) C4'-P energy: -16.818
bonds (distance) P-C4' energy: -20.459
flat angles C4'-P-C4' energy: -21.350
flat angles P-C4'-P energy: -12.177
tors. eta vs tors. theta energy: -26.647
Dist. restrs. and SS energy: -50.400 (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: 4
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -296.919440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.919440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.919440 (E_RNA)
where:
Base-Base interactions energy: -154.138
where: short stacking energy: -71.185
Base-Backbone interact. energy: -0.370
local terms energy: -106.411708
where:
bonds (distance) C4'-P energy: -25.281
bonds (distance) P-C4' energy: -23.718
flat angles C4'-P-C4' energy: -21.400
flat angles P-C4'-P energy: -18.132
tors. eta vs tors. theta energy: -17.881
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. 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: -304.534908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.534908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.534908 (E_RNA)
where:
Base-Base interactions energy: -177.084
where: short stacking energy: -77.163
Base-Backbone interact. energy: 0.475
local terms energy: -91.925491
where:
bonds (distance) C4'-P energy: -19.035
bonds (distance) P-C4' energy: -23.718
flat angles C4'-P-C4' energy: -22.163
flat angles P-C4'-P energy: -10.403
tors. eta vs tors. theta energy: -16.606
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -257.446959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.446959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.046959 (E_RNA)
where:
Base-Base interactions energy: -136.004
where: short stacking energy: -61.140
Base-Backbone interact. energy: -0.333
local terms energy: -88.709459
where:
bonds (distance) C4'-P energy: -22.123
bonds (distance) P-C4' energy: -20.957
flat angles C4'-P-C4' energy: -18.978
flat angles P-C4'-P energy: -15.992
tors. eta vs tors. theta energy: -10.660
Dist. restrs. and SS energy: -32.400 (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: 9
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -309.715578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.715578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.115578 (E_RNA)
where:
Base-Base interactions energy: -174.789
where: short stacking energy: -70.120
Base-Backbone interact. energy: 0.004
local terms energy: -86.331197
where:
bonds (distance) C4'-P energy: -13.970
bonds (distance) P-C4' energy: -21.096
flat angles C4'-P-C4' energy: -23.083
flat angles P-C4'-P energy: -16.914
tors. eta vs tors. theta energy: -11.268
Dist. restrs. and SS energy: -48.600 (S_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: 441
Temperature: 1.300000
Total energy: -264.062806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.062806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.062806 (E_RNA)
where:
Base-Base interactions energy: -145.360
where: short stacking energy: -62.494
Base-Backbone interact. energy: -1.840
local terms energy: -80.863221
where:
bonds (distance) C4'-P energy: -15.282
bonds (distance) P-C4' energy: -10.036
flat angles C4'-P-C4' energy: -24.027
flat angles P-C4'-P energy: -13.703
tors. eta vs tors. theta energy: -17.816
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -284.316640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.316640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.316640 (E_RNA)
where:
Base-Base interactions energy: -154.791
where: short stacking energy: -74.670
Base-Backbone interact. energy: -0.168
local terms energy: -93.358100
where:
bonds (distance) C4'-P energy: -16.392
bonds (distance) P-C4' energy: -23.635
flat angles C4'-P-C4' energy: -20.822
flat angles P-C4'-P energy: -12.405
tors. eta vs tors. theta energy: -20.103
Dist. restrs. and SS energy: -36.000 (S_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: 442
Temperature: 0.900000
Total energy: -414.543452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.543452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.143452 (E_RNA)
where:
Base-Base interactions energy: -257.445
where: short stacking energy: -95.430
Base-Backbone interact. energy: 0.098
local terms energy: -106.796439
where:
bonds (distance) C4'-P energy: -23.650
bonds (distance) P-C4' energy: -20.470
flat angles C4'-P-C4' energy: -16.536
flat angles P-C4'-P energy: -17.654
tors. eta vs tors. theta energy: -28.487
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -406.654346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.654346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.254346 (E_RNA)
where:
Base-Base interactions energy: -249.446
where: short stacking energy: -101.487
Base-Backbone interact. energy: -0.421
local terms energy: -106.387527
where:
bonds (distance) C4'-P energy: -19.039
bonds (distance) P-C4' energy: -21.411
flat angles C4'-P-C4' energy: -26.108
flat angles P-C4'-P energy: -14.171
tors. eta vs tors. theta energy: -25.658
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -399.631985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.631985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.231985 (E_RNA)
where:
Base-Base interactions energy: -241.622
where: short stacking energy: -98.963
Base-Backbone interact. energy: -0.709
local terms energy: -106.900933
where:
bonds (distance) C4'-P energy: -18.168
bonds (distance) P-C4' energy: -15.466
flat angles C4'-P-C4' energy: -23.592
flat angles P-C4'-P energy: -20.200
tors. eta vs tors. theta energy: -29.474
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -384.367493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.367493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.967493 (E_RNA)
where:
Base-Base interactions energy: -227.940
where: short stacking energy: -80.510
Base-Backbone interact. energy: -1.608
local terms energy: -104.419352
where:
bonds (distance) C4'-P energy: -26.267
bonds (distance) P-C4' energy: -25.466
flat angles C4'-P-C4' energy: -17.420
flat angles P-C4'-P energy: -11.559
tors. eta vs tors. theta energy: -23.708
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -310.070197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.070197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.070197 (E_RNA)
where:
Base-Base interactions energy: -170.866
where: short stacking energy: -76.247
Base-Backbone interact. energy: -0.633
local terms energy: -102.571122
where:
bonds (distance) C4'-P energy: -20.408
bonds (distance) P-C4' energy: -22.748
flat angles C4'-P-C4' energy: -22.657
flat angles P-C4'-P energy: -19.234
tors. eta vs tors. theta energy: -17.523
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -311.277011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.277011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.277011 (E_RNA)
where:
Base-Base interactions energy: -182.663
where: short stacking energy: -81.305
Base-Backbone interact. energy: -0.724
local terms energy: -91.890086
where:
bonds (distance) C4'-P energy: -20.823
bonds (distance) P-C4' energy: -24.122
flat angles C4'-P-C4' energy: -16.662
flat angles P-C4'-P energy: -9.733
tors. eta vs tors. theta energy: -20.550
Dist. restrs. and SS energy: -36.000 (S_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: 442
Temperature: 1.200000
Total energy: -322.903118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.903118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.503118 (E_RNA)
where:
Base-Base interactions energy: -183.347
where: short stacking energy: -74.409
Base-Backbone interact. energy: -0.036
local terms energy: -89.119851
where:
bonds (distance) C4'-P energy: -18.544
bonds (distance) P-C4' energy: -18.785
flat angles C4'-P-C4' energy: -23.397
flat angles P-C4'-P energy: -13.101
tors. eta vs tors. theta energy: -15.293
Dist. restrs. and SS energy: -50.400 (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: 2
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -297.439892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.439892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.239892 (E_RNA)
where:
Base-Base interactions energy: -172.448
where: short stacking energy: -76.012
Base-Backbone interact. energy: -0.615
local terms energy: -90.177532
where:
bonds (distance) C4'-P energy: -21.051
bonds (distance) P-C4' energy: -22.447
flat angles C4'-P-C4' energy: -14.704
flat angles P-C4'-P energy: -14.206
tors. eta vs tors. theta energy: -17.770
Dist. restrs. and SS energy: -34.200 (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: 442
Temperature: 1.300000
Total energy: -254.688252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.688252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.688252 (E_RNA)
where:
Base-Base interactions energy: -147.811
where: short stacking energy: -72.019
Base-Backbone interact. energy: -0.760
local terms energy: -70.117534
where:
bonds (distance) C4'-P energy: -22.239
bonds (distance) P-C4' energy: -12.534
flat angles C4'-P-C4' energy: -19.672
flat angles P-C4'-P energy: -10.236
tors. eta vs tors. theta energy: -5.437
Dist. restrs. and SS energy: -36.000 (S_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: 442
Temperature: 1.350000
Total energy: -246.686488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.686488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.486488 (E_RNA)
where:
Base-Base interactions energy: -125.830
where: short stacking energy: -58.512
Base-Backbone interact. energy: -0.213
local terms energy: -86.443235
where:
bonds (distance) C4'-P energy: -20.337
bonds (distance) P-C4' energy: -18.372
flat angles C4'-P-C4' energy: -20.232
flat angles P-C4'-P energy: -11.263
tors. eta vs tors. theta energy: -16.239
Dist. restrs. and SS energy: -34.200 (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: 10
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -412.567265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.567265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.167265 (E_RNA)
where:
Base-Base interactions energy: -252.048
where: short stacking energy: -104.994
Base-Backbone interact. energy: -0.313
local terms energy: -109.806788
where:
bonds (distance) C4'-P energy: -21.146
bonds (distance) P-C4' energy: -22.443
flat angles C4'-P-C4' energy: -22.180
flat angles P-C4'-P energy: -13.946
tors. eta vs tors. theta energy: -30.092
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -416.502887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.502887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.102887 (E_RNA)
where:
Base-Base interactions energy: -248.818
where: short stacking energy: -97.570
Base-Backbone interact. energy: -0.909
local terms energy: -116.375984
where:
bonds (distance) C4'-P energy: -22.002
bonds (distance) P-C4' energy: -23.742
flat angles C4'-P-C4' energy: -24.579
flat angles P-C4'-P energy: -18.407
tors. eta vs tors. theta energy: -27.646
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -395.998896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.998896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.598896 (E_RNA)
where:
Base-Base interactions energy: -241.562
where: short stacking energy: -91.086
Base-Backbone interact. energy: 0.476
local terms energy: -104.512223
where:
bonds (distance) C4'-P energy: -17.423
bonds (distance) P-C4' energy: -23.496
flat angles C4'-P-C4' energy: -22.989
flat angles P-C4'-P energy: -11.644
tors. eta vs tors. theta energy: -28.960
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -387.660930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.660930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.260930 (E_RNA)
where:
Base-Base interactions energy: -233.020
where: short stacking energy: -95.028
Base-Backbone interact. energy: -0.966
local terms energy: -103.274348
where:
bonds (distance) C4'-P energy: -19.458
bonds (distance) P-C4' energy: -16.446
flat angles C4'-P-C4' energy: -24.226
flat angles P-C4'-P energy: -15.918
tors. eta vs tors. theta energy: -27.226
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -288.225822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.225822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.225822 (E_RNA)
where:
Base-Base interactions energy: -152.080
where: short stacking energy: -66.523
Base-Backbone interact. energy: -0.362
local terms energy: -99.783474
where:
bonds (distance) C4'-P energy: -22.753
bonds (distance) P-C4' energy: -25.479
flat angles C4'-P-C4' energy: -18.637
flat angles P-C4'-P energy: -14.980
tors. eta vs tors. theta energy: -17.935
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -330.184287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.184287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.784287 (E_RNA)
where:
Base-Base interactions energy: -184.294
where: short stacking energy: -81.848
Base-Backbone interact. energy: 0.175
local terms energy: -95.665582
where:
bonds (distance) C4'-P energy: -20.881
bonds (distance) P-C4' energy: -24.653
flat angles C4'-P-C4' energy: -17.554
flat angles P-C4'-P energy: -17.626
tors. eta vs tors. theta energy: -14.952
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -314.932996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.932996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.932996 (E_RNA)
where:
Base-Base interactions energy: -186.178
where: short stacking energy: -80.017
Base-Backbone interact. energy: -0.678
local terms energy: -92.076570
where:
bonds (distance) C4'-P energy: -22.648
bonds (distance) P-C4' energy: -19.407
flat angles C4'-P-C4' energy: -18.115
flat angles P-C4'-P energy: -15.583
tors. eta vs tors. theta energy: -16.323
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -264.428999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.428999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.428999 (E_RNA)
where:
Base-Base interactions energy: -151.221
where: short stacking energy: -66.420
Base-Backbone interact. energy: -0.046
local terms energy: -77.162567
where:
bonds (distance) C4'-P energy: -17.533
bonds (distance) P-C4' energy: -21.064
flat angles C4'-P-C4' energy: -17.513
flat angles P-C4'-P energy: -11.834
tors. eta vs tors. theta energy: -9.217
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -263.056266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.056266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.856266 (E_RNA)
where:
Base-Base interactions energy: -146.897
where: short stacking energy: -69.116
Base-Backbone interact. energy: -0.165
local terms energy: -81.794652
where:
bonds (distance) C4'-P energy: -17.478
bonds (distance) P-C4' energy: -17.874
flat angles C4'-P-C4' energy: -23.765
flat angles P-C4'-P energy: -11.499
tors. eta vs tors. theta energy: -11.180
Dist. restrs. and SS energy: -34.200 (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: 6
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -269.487658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.487658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.487658 (E_RNA)
where:
Base-Base interactions energy: -140.853
where: short stacking energy: -60.594
Base-Backbone interact. energy: -0.142
local terms energy: -92.492589
where:
bonds (distance) C4'-P energy: -23.507
bonds (distance) P-C4' energy: -25.306
flat angles C4'-P-C4' energy: -18.289
flat angles P-C4'-P energy: -13.225
tors. eta vs tors. theta energy: -12.166
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -412.979115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.979115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.579115 (E_RNA)
where:
Base-Base interactions energy: -246.763
where: short stacking energy: -102.233
Base-Backbone interact. energy: -0.521
local terms energy: -115.294779
where:
bonds (distance) C4'-P energy: -20.866
bonds (distance) P-C4' energy: -21.860
flat angles C4'-P-C4' energy: -25.880
flat angles P-C4'-P energy: -19.382
tors. eta vs tors. theta energy: -27.306
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -415.738393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.738393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.338393 (E_RNA)
where:
Base-Base interactions energy: -247.879
where: short stacking energy: -99.066
Base-Backbone interact. energy: 0.824
local terms energy: -118.283700
where:
bonds (distance) C4'-P energy: -24.240
bonds (distance) P-C4' energy: -22.933
flat angles C4'-P-C4' energy: -24.945
flat angles P-C4'-P energy: -17.565
tors. eta vs tors. theta energy: -28.600
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -407.099450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.099450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.699450 (E_RNA)
where:
Base-Base interactions energy: -253.489
where: short stacking energy: -103.092
Base-Backbone interact. energy: -0.627
local terms energy: -102.583952
where:
bonds (distance) C4'-P energy: -16.248
bonds (distance) P-C4' energy: -19.610
flat angles C4'-P-C4' energy: -22.081
flat angles P-C4'-P energy: -13.712
tors. eta vs tors. theta energy: -30.933
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -394.839285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.839285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.439285 (E_RNA)
where:
Base-Base interactions energy: -240.220
where: short stacking energy: -89.837
Base-Backbone interact. energy: 0.487
local terms energy: -104.705872
where:
bonds (distance) C4'-P energy: -22.176
bonds (distance) P-C4' energy: -22.925
flat angles C4'-P-C4' energy: -24.675
flat angles P-C4'-P energy: -11.472
tors. eta vs tors. theta energy: -23.458
Dist. restrs. and SS energy: -50.400 (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: 9
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -333.229966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.229966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.829966 (E_RNA)
where:
Base-Base interactions energy: -187.130
where: short stacking energy: -71.322
Base-Backbone interact. energy: -0.162
local terms energy: -95.538050
where:
bonds (distance) C4'-P energy: -21.357
bonds (distance) P-C4' energy: -25.243
flat angles C4'-P-C4' energy: -21.788
flat angles P-C4'-P energy: -11.448
tors. eta vs tors. theta energy: -15.701
Dist. restrs. and SS energy: -50.400 (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: 3
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -301.658562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.658562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.258562 (E_RNA)
where:
Base-Base interactions energy: -169.839
where: short stacking energy: -83.693
Base-Backbone interact. energy: -1.494
local terms energy: -97.924970
where:
bonds (distance) C4'-P energy: -15.729
bonds (distance) P-C4' energy: -24.764
flat angles C4'-P-C4' energy: -18.192
flat angles P-C4'-P energy: -11.929
tors. eta vs tors. theta energy: -27.310
Dist. restrs. and SS energy: -32.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -254.547284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.547284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.547284 (E_RNA)
where:
Base-Base interactions energy: -133.706
where: short stacking energy: -64.973
Base-Backbone interact. energy: -0.052
local terms energy: -84.789415
where:
bonds (distance) C4'-P energy: -22.206
bonds (distance) P-C4' energy: -22.280
flat angles C4'-P-C4' energy: -20.063
flat angles P-C4'-P energy: -11.314
tors. eta vs tors. theta energy: -8.925
Dist. restrs. and SS energy: -36.000 (S_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: 444
Temperature: 1.250000
Total energy: -290.740700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.740700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.540700 (E_RNA)
where:
Base-Base interactions energy: -165.682
where: short stacking energy: -71.198
Base-Backbone interact. energy: -0.688
local terms energy: -90.170979
where:
bonds (distance) C4'-P energy: -19.081
bonds (distance) P-C4' energy: -21.558
flat angles C4'-P-C4' energy: -22.710
flat angles P-C4'-P energy: -10.377
tors. eta vs tors. theta energy: -16.445
Dist. restrs. and SS energy: -34.200 (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: 6
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -256.318164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.318164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.318164 (E_RNA)
where:
Base-Base interactions energy: -127.665
where: short stacking energy: -52.120
Base-Backbone interact. energy: -0.197
local terms energy: -92.455546
where:
bonds (distance) C4'-P energy: -22.089
bonds (distance) P-C4' energy: -27.523
flat angles C4'-P-C4' energy: -20.135
flat angles P-C4'-P energy: -8.952
tors. eta vs tors. theta energy: -13.756
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -250.444286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.444286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.444286 (E_RNA)
where:
Base-Base interactions energy: -140.986
where: short stacking energy: -57.034
Base-Backbone interact. energy: -0.249
local terms energy: -73.208691
where:
bonds (distance) C4'-P energy: -16.904
bonds (distance) P-C4' energy: -18.318
flat angles C4'-P-C4' energy: -16.835
flat angles P-C4'-P energy: -13.004
tors. eta vs tors. theta energy: -8.148
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -410.638964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.638964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.238964 (E_RNA)
where:
Base-Base interactions energy: -246.127
where: short stacking energy: -95.895
Base-Backbone interact. energy: -1.033
local terms energy: -113.078990
where:
bonds (distance) C4'-P energy: -17.848
bonds (distance) P-C4' energy: -24.512
flat angles C4'-P-C4' energy: -27.675
flat angles P-C4'-P energy: -16.429
tors. eta vs tors. theta energy: -26.615
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -413.252439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.252439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.852439 (E_RNA)
where:
Base-Base interactions energy: -258.739
where: short stacking energy: -99.537
Base-Backbone interact. energy: 2.410
local terms energy: -106.522947
where:
bonds (distance) C4'-P energy: -17.702
bonds (distance) P-C4' energy: -19.742
flat angles C4'-P-C4' energy: -21.428
flat angles P-C4'-P energy: -19.466
tors. eta vs tors. theta energy: -28.184
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -408.651743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.651743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.251743 (E_RNA)
where:
Base-Base interactions energy: -255.424
where: short stacking energy: -99.652
Base-Backbone interact. energy: -0.380
local terms energy: -102.447322
where:
bonds (distance) C4'-P energy: -22.499
bonds (distance) P-C4' energy: -18.272
flat angles C4'-P-C4' energy: -20.109
flat angles P-C4'-P energy: -12.997
tors. eta vs tors. theta energy: -28.569
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -387.692451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.692451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.292451 (E_RNA)
where:
Base-Base interactions energy: -229.787
where: short stacking energy: -90.246
Base-Backbone interact. energy: 0.557
local terms energy: -108.062188
where:
bonds (distance) C4'-P energy: -16.902
bonds (distance) P-C4' energy: -22.881
flat angles C4'-P-C4' energy: -23.413
flat angles P-C4'-P energy: -19.100
tors. eta vs tors. theta energy: -25.766
Dist. restrs. and SS energy: -50.400 (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: 9
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -336.134053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.134053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.734053 (E_RNA)
where:
Base-Base interactions energy: -200.636
where: short stacking energy: -77.308
Base-Backbone interact. energy: -0.192
local terms energy: -84.906088
where:
bonds (distance) C4'-P energy: -22.839
bonds (distance) P-C4' energy: -17.889
flat angles C4'-P-C4' energy: -19.025
flat angles P-C4'-P energy: -15.362
tors. eta vs tors. theta energy: -9.791
Dist. restrs. and SS energy: -50.400 (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: 3
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -298.944658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.944658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.944658 (E_RNA)
where:
Base-Base interactions energy: -167.758
where: short stacking energy: -79.573
Base-Backbone interact. energy: -0.147
local terms energy: -95.040068
where:
bonds (distance) C4'-P energy: -24.457
bonds (distance) P-C4' energy: -19.402
flat angles C4'-P-C4' energy: -18.772
flat angles P-C4'-P energy: -11.342
tors. eta vs tors. theta energy: -21.067
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -251.220769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.220769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.220769 (E_RNA)
where:
Base-Base interactions energy: -134.069
where: short stacking energy: -60.639
Base-Backbone interact. energy: 0.493
local terms energy: -81.644302
where:
bonds (distance) C4'-P energy: -19.105
bonds (distance) P-C4' energy: -10.348
flat angles C4'-P-C4' energy: -25.838
flat angles P-C4'-P energy: -13.036
tors. eta vs tors. theta energy: -13.318
Dist. restrs. and SS energy: -36.000 (S_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: 445
Temperature: 1.250000
Total energy: -286.592730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.592730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.392730 (E_RNA)
where:
Base-Base interactions energy: -165.526
where: short stacking energy: -64.147
Base-Backbone interact. energy: -0.299
local terms energy: -77.567458
where:
bonds (distance) C4'-P energy: -24.358
bonds (distance) P-C4' energy: -13.963
flat angles C4'-P-C4' energy: -14.189
flat angles P-C4'-P energy: -13.611
tors. eta vs tors. theta energy: -11.446
Dist. restrs. and SS energy: -43.200 (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: 6
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -269.522035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.522035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.522035 (E_RNA)
where:
Base-Base interactions energy: -147.438
where: short stacking energy: -70.872
Base-Backbone interact. energy: -0.183
local terms energy: -85.901826
where:
bonds (distance) C4'-P energy: -18.957
bonds (distance) P-C4' energy: -19.294
flat angles C4'-P-C4' energy: -18.468
flat angles P-C4'-P energy: -8.577
tors. eta vs tors. theta energy: -20.607
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -254.767843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.767843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.367843 (E_RNA)
where:
Base-Base interactions energy: -137.113
where: short stacking energy: -56.599
Base-Backbone interact. energy: 0.331
local terms energy: -85.585377
where:
bonds (distance) C4'-P energy: -24.045
bonds (distance) P-C4' energy: -23.135
flat angles C4'-P-C4' energy: -19.783
flat angles P-C4'-P energy: -8.883
tors. eta vs tors. theta energy: -9.740
Dist. restrs. and SS energy: -32.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -414.241638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.241638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.841638 (E_RNA)
where:
Base-Base interactions energy: -254.228
where: short stacking energy: -99.682
Base-Backbone interact. energy: -0.592
local terms energy: -109.022079
where:
bonds (distance) C4'-P energy: -24.937
bonds (distance) P-C4' energy: -19.308
flat angles C4'-P-C4' energy: -23.883
flat angles P-C4'-P energy: -14.269
tors. eta vs tors. theta energy: -26.624
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -408.253115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.253115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.853115 (E_RNA)
where:
Base-Base interactions energy: -258.177
where: short stacking energy: -97.676
Base-Backbone interact. energy: -0.746
local terms energy: -98.930869
where:
bonds (distance) C4'-P energy: -23.680
bonds (distance) P-C4' energy: -19.049
flat angles C4'-P-C4' energy: -14.965
flat angles P-C4'-P energy: -17.581
tors. eta vs tors. theta energy: -23.656
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -396.289631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.289631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.689631 (E_RNA)
where:
Base-Base interactions energy: -241.723
where: short stacking energy: -95.292
Base-Backbone interact. energy: -1.026
local terms energy: -104.941134
where:
bonds (distance) C4'-P energy: -21.443
bonds (distance) P-C4' energy: -16.887
flat angles C4'-P-C4' energy: -23.895
flat angles P-C4'-P energy: -16.150
tors. eta vs tors. theta energy: -26.566
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -392.481025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.481025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.081025 (E_RNA)
where:
Base-Base interactions energy: -225.703
where: short stacking energy: -83.533
Base-Backbone interact. energy: -0.361
local terms energy: -116.016639
where:
bonds (distance) C4'-P energy: -22.246
bonds (distance) P-C4' energy: -22.619
flat angles C4'-P-C4' energy: -24.028
flat angles P-C4'-P energy: -18.270
tors. eta vs tors. theta energy: -28.853
Dist. restrs. and SS energy: -50.400 (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: 9
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -349.995739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.995739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.595739 (E_RNA)
where:
Base-Base interactions energy: -199.892
where: short stacking energy: -86.188
Base-Backbone interact. energy: -0.185
local terms energy: -99.519117
where:
bonds (distance) C4'-P energy: -22.706
bonds (distance) P-C4' energy: -19.615
flat angles C4'-P-C4' energy: -20.628
flat angles P-C4'-P energy: -12.865
tors. eta vs tors. theta energy: -23.706
Dist. restrs. and SS energy: -50.400 (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: 3
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -281.431021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.431021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.431021 (E_RNA)
where:
Base-Base interactions energy: -165.536
where: short stacking energy: -73.941
Base-Backbone interact. energy: -0.142
local terms energy: -79.752773
where:
bonds (distance) C4'-P energy: -18.166
bonds (distance) P-C4' energy: -18.663
flat angles C4'-P-C4' energy: -17.965
flat angles P-C4'-P energy: -9.969
tors. eta vs tors. theta energy: -14.990
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -286.815016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.815016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.615016 (E_RNA)
where:
Base-Base interactions energy: -157.303
where: short stacking energy: -75.373
Base-Backbone interact. energy: 0.176
local terms energy: -95.488635
where:
bonds (distance) C4'-P energy: -21.198
bonds (distance) P-C4' energy: -21.493
flat angles C4'-P-C4' energy: -22.357
flat angles P-C4'-P energy: -16.182
tors. eta vs tors. theta energy: -14.258
Dist. restrs. and SS energy: -34.200 (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: 446
Temperature: 1.250000
Total energy: -258.787352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.787352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.787352 (E_RNA)
where:
Base-Base interactions energy: -146.056
where: short stacking energy: -61.356
Base-Backbone interact. energy: -0.441
local terms energy: -76.290725
where:
bonds (distance) C4'-P energy: -10.654
bonds (distance) P-C4' energy: -19.403
flat angles C4'-P-C4' energy: -22.022
flat angles P-C4'-P energy: -13.980
tors. eta vs tors. theta energy: -10.232
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -257.237015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.237015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.237015 (E_RNA)
where:
Base-Base interactions energy: -143.705
where: short stacking energy: -58.925
Base-Backbone interact. energy: -0.322
local terms energy: -77.210102
where:
bonds (distance) C4'-P energy: -17.614
bonds (distance) P-C4' energy: -17.685
flat angles C4'-P-C4' energy: -18.053
flat angles P-C4'-P energy: -15.972
tors. eta vs tors. theta energy: -7.886
Dist. restrs. and SS energy: -36.000 (S_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: 446
Temperature: 1.350000
Total energy: -249.004148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.004148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.804148 (E_RNA)
where:
Base-Base interactions energy: -132.309
where: short stacking energy: -64.422
Base-Backbone interact. energy: -0.193
local terms energy: -82.301851
where:
bonds (distance) C4'-P energy: -18.841
bonds (distance) P-C4' energy: -19.597
flat angles C4'-P-C4' energy: -15.625
flat angles P-C4'-P energy: -17.087
tors. eta vs tors. theta energy: -11.152
Dist. restrs. and SS energy: -34.200 (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: 10
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -418.236954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.236954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.836954 (E_RNA)
where:
Base-Base interactions energy: -258.158
where: short stacking energy: -104.483
Base-Backbone interact. energy: 0.212
local terms energy: -109.890760
where:
bonds (distance) C4'-P energy: -22.686
bonds (distance) P-C4' energy: -21.572
flat angles C4'-P-C4' energy: -19.220
flat angles P-C4'-P energy: -20.115
tors. eta vs tors. theta energy: -26.297
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -411.236091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.236091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.836091 (E_RNA)
where:
Base-Base interactions energy: -260.151
where: short stacking energy: -105.120
Base-Backbone interact. energy: -0.284
local terms energy: -100.401702
where:
bonds (distance) C4'-P energy: -17.892
bonds (distance) P-C4' energy: -19.414
flat angles C4'-P-C4' energy: -17.101
flat angles P-C4'-P energy: -16.416
tors. eta vs tors. theta energy: -29.579
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -401.969287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.969287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.569287 (E_RNA)
where:
Base-Base interactions energy: -256.594
where: short stacking energy: -94.675
Base-Backbone interact. energy: -1.996
local terms energy: -92.979646
where:
bonds (distance) C4'-P energy: -16.101
bonds (distance) P-C4' energy: -18.464
flat angles C4'-P-C4' energy: -17.193
flat angles P-C4'-P energy: -15.108
tors. eta vs tors. theta energy: -26.115
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -368.390362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.390362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.990362 (E_RNA)
where:
Base-Base interactions energy: -220.779
where: short stacking energy: -96.699
Base-Backbone interact. energy: -0.646
local terms energy: -96.564977
where:
bonds (distance) C4'-P energy: -17.577
bonds (distance) P-C4' energy: -23.029
flat angles C4'-P-C4' energy: -23.275
flat angles P-C4'-P energy: -10.274
tors. eta vs tors. theta energy: -22.410
Dist. restrs. and SS energy: -50.400 (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: 9
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -360.171303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.171303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.571303 (E_RNA)
where:
Base-Base interactions energy: -208.724
where: short stacking energy: -84.904
Base-Backbone interact. energy: -0.611
local terms energy: -102.236077
where:
bonds (distance) C4'-P energy: -21.610
bonds (distance) P-C4' energy: -23.849
flat angles C4'-P-C4' energy: -20.351
flat angles P-C4'-P energy: -16.424
tors. eta vs tors. theta energy: -20.003
Dist. restrs. and SS energy: -48.600 (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: 3
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -274.669090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.669090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.669090 (E_RNA)
where:
Base-Base interactions energy: -156.378
where: short stacking energy: -72.055
Base-Backbone interact. energy: -0.136
local terms energy: -82.155283
where:
bonds (distance) C4'-P energy: -20.807
bonds (distance) P-C4' energy: -20.384
flat angles C4'-P-C4' energy: -19.853
flat angles P-C4'-P energy: -9.043
tors. eta vs tors. theta energy: -12.069
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. 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: -273.018909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.018909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.018909 (E_RNA)
where:
Base-Base interactions energy: -136.374
where: short stacking energy: -65.412
Base-Backbone interact. energy: -0.316
local terms energy: -100.329517
where:
bonds (distance) C4'-P energy: -17.920
bonds (distance) P-C4' energy: -25.293
flat angles C4'-P-C4' energy: -24.445
flat angles P-C4'-P energy: -17.533
tors. eta vs tors. theta energy: -15.139
Dist. restrs. and SS energy: -36.000 (S_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: 447
Temperature: 1.250000
Total energy: -269.665605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.665605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.665605 (E_RNA)
where:
Base-Base interactions energy: -141.143
where: short stacking energy: -67.837
Base-Backbone interact. energy: -0.197
local terms energy: -92.325600
where:
bonds (distance) C4'-P energy: -17.337
bonds (distance) P-C4' energy: -24.428
flat angles C4'-P-C4' energy: -21.898
flat angles P-C4'-P energy: -17.573
tors. eta vs tors. theta energy: -11.090
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -246.565865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.565865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.565865 (E_RNA)
where:
Base-Base interactions energy: -147.572
where: short stacking energy: -39.305
Base-Backbone interact. energy: 0.794
local terms energy: -63.787426
where:
bonds (distance) C4'-P energy: -11.731
bonds (distance) P-C4' energy: -19.978
flat angles C4'-P-C4' energy: -18.160
flat angles P-C4'-P energy: -10.193
tors. eta vs tors. theta energy: -3.724
Dist. restrs. and SS energy: -36.000 (S_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: 447
Temperature: 1.350000
Total energy: -244.317776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.317776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.317776 (E_RNA)
where:
Base-Base interactions energy: -120.348
where: short stacking energy: -46.603
Base-Backbone interact. energy: -0.287
local terms energy: -87.683488
where:
bonds (distance) C4'-P energy: -25.507
bonds (distance) P-C4' energy: -23.956
flat angles C4'-P-C4' energy: -18.640
flat angles P-C4'-P energy: -11.515
tors. eta vs tors. theta energy: -8.065
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -412.051589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.051589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.651589 (E_RNA)
where:
Base-Base interactions energy: -250.510
where: short stacking energy: -97.607
Base-Backbone interact. energy: -0.170
local terms energy: -110.971597
where:
bonds (distance) C4'-P energy: -18.277
bonds (distance) P-C4' energy: -23.850
flat angles C4'-P-C4' energy: -22.250
flat angles P-C4'-P energy: -17.158
tors. eta vs tors. theta energy: -29.437
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -404.389444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.389444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.989444 (E_RNA)
where:
Base-Base interactions energy: -248.146
where: short stacking energy: -90.421
Base-Backbone interact. energy: -0.796
local terms energy: -105.047659
where:
bonds (distance) C4'-P energy: -21.212
bonds (distance) P-C4' energy: -22.526
flat angles C4'-P-C4' energy: -19.723
flat angles P-C4'-P energy: -18.885
tors. eta vs tors. theta energy: -22.702
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -394.866753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.866753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.466753 (E_RNA)
where:
Base-Base interactions energy: -236.336
where: short stacking energy: -89.702
Base-Backbone interact. energy: -0.576
local terms energy: -107.555328
where:
bonds (distance) C4'-P energy: -20.632
bonds (distance) P-C4' energy: -18.006
flat angles C4'-P-C4' energy: -23.275
flat angles P-C4'-P energy: -15.676
tors. eta vs tors. theta energy: -29.965
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -365.261566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.261566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.861566 (E_RNA)
where:
Base-Base interactions energy: -210.428
where: short stacking energy: -74.770
Base-Backbone interact. energy: -1.472
local terms energy: -102.961675
where:
bonds (distance) C4'-P energy: -18.252
bonds (distance) P-C4' energy: -20.163
flat angles C4'-P-C4' energy: -24.731
flat angles P-C4'-P energy: -13.641
tors. eta vs tors. theta energy: -26.175
Dist. restrs. and SS energy: -50.400 (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: 9
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -347.852291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.852291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.452291 (E_RNA)
where:
Base-Base interactions energy: -199.729
where: short stacking energy: -92.425
Base-Backbone interact. energy: -0.085
local terms energy: -97.638438
where:
bonds (distance) C4'-P energy: -16.762
bonds (distance) P-C4' energy: -19.086
flat angles C4'-P-C4' energy: -22.181
flat angles P-C4'-P energy: -18.607
tors. eta vs tors. theta energy: -21.002
Dist. restrs. and SS energy: -50.400 (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: 3
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -304.731905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.731905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.731905 (E_RNA)
where:
Base-Base interactions energy: -177.344
where: short stacking energy: -84.923
Base-Backbone interact. energy: -0.133
local terms energy: -91.255436
where:
bonds (distance) C4'-P energy: -15.339
bonds (distance) P-C4' energy: -20.394
flat angles C4'-P-C4' energy: -20.136
flat angles P-C4'-P energy: -13.355
tors. eta vs tors. theta energy: -22.032
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -292.720457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.720457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.720457 (E_RNA)
where:
Base-Base interactions energy: -167.889
where: short stacking energy: -78.222
Base-Backbone interact. energy: -1.304
local terms energy: -87.527387
where:
bonds (distance) C4'-P energy: -19.639
bonds (distance) P-C4' energy: -21.966
flat angles C4'-P-C4' energy: -16.426
flat angles P-C4'-P energy: -13.133
tors. eta vs tors. theta energy: -16.364
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -266.351803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.351803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.351803 (E_RNA)
where:
Base-Base interactions energy: -147.217
where: short stacking energy: -79.252
Base-Backbone interact. energy: -1.062
local terms energy: -82.072271
where:
bonds (distance) C4'-P energy: -20.494
bonds (distance) P-C4' energy: -20.740
flat angles C4'-P-C4' energy: -13.176
flat angles P-C4'-P energy: -12.680
tors. eta vs tors. theta energy: -14.982
Dist. restrs. and SS energy: -36.000 (S_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: 448
Temperature: 1.300000
Total energy: -257.019275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.019275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.019275 (E_RNA)
where:
Base-Base interactions energy: -128.414
where: short stacking energy: -61.374
Base-Backbone interact. energy: -0.177
local terms energy: -92.428311
where:
bonds (distance) C4'-P energy: -21.447
bonds (distance) P-C4' energy: -23.720
flat angles C4'-P-C4' energy: -18.935
flat angles P-C4'-P energy: -11.336
tors. eta vs tors. theta energy: -16.990
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -245.702971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.702971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.702971 (E_RNA)
where:
Base-Base interactions energy: -134.255
where: short stacking energy: -62.775
Base-Backbone interact. energy: 0.320
local terms energy: -75.767308
where:
bonds (distance) C4'-P energy: -18.054
bonds (distance) P-C4' energy: -15.477
flat angles C4'-P-C4' energy: -21.848
flat angles P-C4'-P energy: -1.830
tors. eta vs tors. theta energy: -18.559
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -418.476412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.476412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.076412 (E_RNA)
where:
Base-Base interactions energy: -251.637
where: short stacking energy: -106.797
Base-Backbone interact. energy: -0.684
local terms energy: -115.755638
where:
bonds (distance) C4'-P energy: -22.922
bonds (distance) P-C4' energy: -26.456
flat angles C4'-P-C4' energy: -21.948
flat angles P-C4'-P energy: -15.389
tors. eta vs tors. theta energy: -29.040
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -409.227093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.227093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.827093 (E_RNA)
where:
Base-Base interactions energy: -249.898
where: short stacking energy: -90.959
Base-Backbone interact. energy: 2.079
local terms energy: -111.008406
where:
bonds (distance) C4'-P energy: -18.849
bonds (distance) P-C4' energy: -27.857
flat angles C4'-P-C4' energy: -22.834
flat angles P-C4'-P energy: -11.549
tors. eta vs tors. theta energy: -29.919
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -406.735225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.735225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.335225 (E_RNA)
where:
Base-Base interactions energy: -242.969
where: short stacking energy: -95.895
Base-Backbone interact. energy: -0.337
local terms energy: -113.030142
where:
bonds (distance) C4'-P energy: -22.831
bonds (distance) P-C4' energy: -22.734
flat angles C4'-P-C4' energy: -24.713
flat angles P-C4'-P energy: -15.035
tors. eta vs tors. theta energy: -27.717
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -375.108214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.108214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.708214 (E_RNA)
where:
Base-Base interactions energy: -231.456
where: short stacking energy: -78.323
Base-Backbone interact. energy: 0.461
local terms energy: -93.713596
where:
bonds (distance) C4'-P energy: -15.525
bonds (distance) P-C4' energy: -24.366
flat angles C4'-P-C4' energy: -18.972
flat angles P-C4'-P energy: -17.826
tors. eta vs tors. theta energy: -17.024
Dist. restrs. and SS energy: -50.400 (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: 9
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -346.991128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.991128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.391128 (E_RNA)
where:
Base-Base interactions energy: -201.143
where: short stacking energy: -89.595
Base-Backbone interact. energy: -0.954
local terms energy: -96.294166
where:
bonds (distance) C4'-P energy: -24.486
bonds (distance) P-C4' energy: -22.956
flat angles C4'-P-C4' energy: -13.784
flat angles P-C4'-P energy: -16.624
tors. eta vs tors. theta energy: -18.444
Dist. restrs. and SS energy: -48.600 (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: 4
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -304.107645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.107645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.107645 (E_RNA)
where:
Base-Base interactions energy: -176.542
where: short stacking energy: -83.852
Base-Backbone interact. energy: -0.015
local terms energy: -91.551555
where:
bonds (distance) C4'-P energy: -23.485
bonds (distance) P-C4' energy: -24.187
flat angles C4'-P-C4' energy: -16.245
flat angles P-C4'-P energy: -11.930
tors. eta vs tors. theta energy: -15.704
Dist. restrs. and SS energy: -36.000 (S_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: 449
Temperature: 1.200000
Total energy: -282.966906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.966906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.966905 (E_RNA)
where:
Base-Base interactions energy: -154.801
where: short stacking energy: -69.826
Base-Backbone interact. energy: -0.159
local terms energy: -92.007161
where:
bonds (distance) C4'-P energy: -18.883
bonds (distance) P-C4' energy: -19.162
flat angles C4'-P-C4' energy: -23.379
flat angles P-C4'-P energy: -15.353
tors. eta vs tors. theta energy: -15.230
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -276.296042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.296042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.296042 (E_RNA)
where:
Base-Base interactions energy: -145.597
where: short stacking energy: -67.619
Base-Backbone interact. energy: -0.233
local terms energy: -94.466297
where:
bonds (distance) C4'-P energy: -19.813
bonds (distance) P-C4' energy: -22.749
flat angles C4'-P-C4' energy: -17.101
flat angles P-C4'-P energy: -15.852
tors. eta vs tors. theta energy: -18.951
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -256.452805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.452805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.452805 (E_RNA)
where:
Base-Base interactions energy: -135.511
where: short stacking energy: -63.785
Base-Backbone interact. energy: 0.335
local terms energy: -85.277527
where:
bonds (distance) C4'-P energy: -12.080
bonds (distance) P-C4' energy: -23.913
flat angles C4'-P-C4' energy: -25.919
flat angles P-C4'-P energy: -16.198
tors. eta vs tors. theta energy: -7.168
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -233.562147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.562147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.562147 (E_RNA)
where:
Base-Base interactions energy: -122.728
where: short stacking energy: -52.600
Base-Backbone interact. energy: -0.469
local terms energy: -74.364708
where:
bonds (distance) C4'-P energy: -19.729
bonds (distance) P-C4' energy: -13.391
flat angles C4'-P-C4' energy: -21.546
flat angles P-C4'-P energy: -13.765
tors. eta vs tors. theta energy: -5.933
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -408.492385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.492385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.092385 (E_RNA)
where:
Base-Base interactions energy: -248.260
where: short stacking energy: -98.996
Base-Backbone interact. energy: -0.204
local terms energy: -109.628109
where:
bonds (distance) C4'-P energy: -18.886
bonds (distance) P-C4' energy: -19.591
flat angles C4'-P-C4' energy: -25.020
flat angles P-C4'-P energy: -17.542
tors. eta vs tors. theta energy: -28.589
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -412.448389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.448389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.048389 (E_RNA)
where:
Base-Base interactions energy: -251.259
where: short stacking energy: -102.185
Base-Backbone interact. energy: -0.914
local terms energy: -109.875642
where:
bonds (distance) C4'-P energy: -21.741
bonds (distance) P-C4' energy: -24.455
flat angles C4'-P-C4' energy: -20.738
flat angles P-C4'-P energy: -15.759
tors. eta vs tors. theta energy: -27.183
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -387.461297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.461297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.661297 (E_RNA)
where:
Base-Base interactions energy: -237.648
where: short stacking energy: -85.227
Base-Backbone interact. energy: -0.241
local terms energy: -102.772034
where:
bonds (distance) C4'-P energy: -21.441
bonds (distance) P-C4' energy: -15.342
flat angles C4'-P-C4' energy: -24.147
flat angles P-C4'-P energy: -14.674
tors. eta vs tors. theta energy: -27.169
Dist. restrs. and SS energy: -46.800 (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: 7
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -406.121829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.121829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.721829 (E_RNA)
where:
Base-Base interactions energy: -243.292
where: short stacking energy: -100.875
Base-Backbone interact. energy: -0.601
local terms energy: -111.829336
where:
bonds (distance) C4'-P energy: -20.880
bonds (distance) P-C4' energy: -21.205
flat angles C4'-P-C4' energy: -21.686
flat angles P-C4'-P energy: -18.035
tors. eta vs tors. theta energy: -30.023
Dist. restrs. and SS energy: -50.400 (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: 4
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -317.193799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.193799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.193799 (E_RNA)
where:
Base-Base interactions energy: -185.204
where: short stacking energy: -99.138
Base-Backbone interact. energy: -0.256
local terms energy: -95.734110
where:
bonds (distance) C4'-P energy: -21.261
bonds (distance) P-C4' energy: -21.137
flat angles C4'-P-C4' energy: -17.950
flat angles P-C4'-P energy: -14.182
tors. eta vs tors. theta energy: -21.204
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -335.686456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.686456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.086456 (E_RNA)
where:
Base-Base interactions energy: -188.190
where: short stacking energy: -73.689
Base-Backbone interact. energy: 0.477
local terms energy: -99.373224
where:
bonds (distance) C4'-P energy: -22.598
bonds (distance) P-C4' energy: -26.083
flat angles C4'-P-C4' energy: -20.109
flat angles P-C4'-P energy: -20.664
tors. eta vs tors. theta energy: -9.918
Dist. restrs. and SS energy: -48.600 (S_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: 450
Temperature: 1.200000
Total energy: -288.007471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.007471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.007471 (E_RNA)
where:
Base-Base interactions energy: -168.330
where: short stacking energy: -77.915
Base-Backbone interact. energy: 0.308
local terms energy: -83.985538
where:
bonds (distance) C4'-P energy: -19.809
bonds (distance) P-C4' energy: -13.202
flat angles C4'-P-C4' energy: -19.634
flat angles P-C4'-P energy: -17.480
tors. eta vs tors. theta energy: -13.860
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -268.987014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.987014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.987014 (E_RNA)
where:
Base-Base interactions energy: -147.060
where: short stacking energy: -61.396
Base-Backbone interact. energy: -0.068
local terms energy: -85.859896
where:
bonds (distance) C4'-P energy: -21.679
bonds (distance) P-C4' energy: -16.068
flat angles C4'-P-C4' energy: -20.714
flat angles P-C4'-P energy: -15.175
tors. eta vs tors. theta energy: -12.223
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -242.902872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.902872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.902872 (E_RNA)
where:
Base-Base interactions energy: -135.992
where: short stacking energy: -56.840
Base-Backbone interact. energy: -0.094
local terms energy: -70.816509
where:
bonds (distance) C4'-P energy: -19.921
bonds (distance) P-C4' energy: -20.496
flat angles C4'-P-C4' energy: -17.205
flat angles P-C4'-P energy: -7.618
tors. eta vs tors. theta energy: -5.577
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -248.949155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.949155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.949155 (E_RNA)
where:
Base-Base interactions energy: -131.974
where: short stacking energy: -62.311
Base-Backbone interact. energy: 0.671
local terms energy: -81.646468
where:
bonds (distance) C4'-P energy: -18.182
bonds (distance) P-C4' energy: -16.261
flat angles C4'-P-C4' energy: -20.431
flat angles P-C4'-P energy: -6.635
tors. eta vs tors. theta energy: -20.137
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -410.788781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.788781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.388781 (E_RNA)
where:
Base-Base interactions energy: -247.136
where: short stacking energy: -95.872
Base-Backbone interact. energy: -0.063
local terms energy: -113.190333
where:
bonds (distance) C4'-P energy: -19.202
bonds (distance) P-C4' energy: -22.409
flat angles C4'-P-C4' energy: -25.556
flat angles P-C4'-P energy: -18.060
tors. eta vs tors. theta energy: -27.963
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -396.753027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.753027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.553027 (E_RNA)
where:
Base-Base interactions energy: -242.168
where: short stacking energy: -93.064
Base-Backbone interact. energy: 0.280
local terms energy: -111.664463
where:
bonds (distance) C4'-P energy: -23.854
bonds (distance) P-C4' energy: -22.543
flat angles C4'-P-C4' energy: -24.957
flat angles P-C4'-P energy: -14.113
tors. eta vs tors. theta energy: -26.198
Dist. restrs. and SS energy: -43.200 (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: 10
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -400.517111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.517111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.117111 (E_RNA)
where:
Base-Base interactions energy: -239.145
where: short stacking energy: -92.276
Base-Backbone interact. energy: -0.357
local terms energy: -110.615071
where:
bonds (distance) C4'-P energy: -23.032
bonds (distance) P-C4' energy: -24.568
flat angles C4'-P-C4' energy: -19.357
flat angles P-C4'-P energy: -15.227
tors. eta vs tors. theta energy: -28.430
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -405.754450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.754450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.354450 (E_RNA)
where:
Base-Base interactions energy: -247.600
where: short stacking energy: -99.771
Base-Backbone interact. energy: -1.470
local terms energy: -106.284492
where:
bonds (distance) C4'-P energy: -20.153
bonds (distance) P-C4' energy: -20.340
flat angles C4'-P-C4' energy: -19.665
flat angles P-C4'-P energy: -16.719
tors. eta vs tors. theta energy: -29.408
Dist. restrs. and SS energy: -50.400 (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: 4
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -330.150134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.150134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.150134 (E_RNA)
where:
Base-Base interactions energy: -176.351
where: short stacking energy: -84.208
Base-Backbone interact. energy: -0.046
local terms energy: -117.753268
where:
bonds (distance) C4'-P energy: -25.451
bonds (distance) P-C4' energy: -22.677
flat angles C4'-P-C4' energy: -25.120
flat angles P-C4'-P energy: -16.693
tors. eta vs tors. theta energy: -27.812
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -333.818082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.818082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.418082 (E_RNA)
where:
Base-Base interactions energy: -185.716
where: short stacking energy: -77.082
Base-Backbone interact. energy: -0.556
local terms energy: -97.146088
where:
bonds (distance) C4'-P energy: -25.326
bonds (distance) P-C4' energy: -13.667
flat angles C4'-P-C4' energy: -25.198
flat angles P-C4'-P energy: -15.108
tors. eta vs tors. theta energy: -17.847
Dist. restrs. and SS energy: -50.400 (S_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: 451
Temperature: 1.200000
Total energy: -295.291616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.291616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.291616 (E_RNA)
where:
Base-Base interactions energy: -163.901
where: short stacking energy: -85.926
Base-Backbone interact. energy: -0.688
local terms energy: -94.702575
where:
bonds (distance) C4'-P energy: -20.356
bonds (distance) P-C4' energy: -22.538
flat angles C4'-P-C4' energy: -22.918
flat angles P-C4'-P energy: -10.044
tors. eta vs tors. theta energy: -18.846
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -264.697612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.697612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.697612 (E_RNA)
where:
Base-Base interactions energy: -146.793
where: short stacking energy: -63.550
Base-Backbone interact. energy: -0.485
local terms energy: -81.420555
where:
bonds (distance) C4'-P energy: -20.662
bonds (distance) P-C4' energy: -18.634
flat angles C4'-P-C4' energy: -16.190
flat angles P-C4'-P energy: -12.085
tors. eta vs tors. theta energy: -13.850
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -240.584016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.584016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.584016 (E_RNA)
where:
Base-Base interactions energy: -131.637
where: short stacking energy: -66.582
Base-Backbone interact. energy: -0.521
local terms energy: -72.426033
where:
bonds (distance) C4'-P energy: -9.753
bonds (distance) P-C4' energy: -20.411
flat angles C4'-P-C4' energy: -23.888
flat angles P-C4'-P energy: -7.298
tors. eta vs tors. theta energy: -11.075
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -232.475866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.475866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.475866 (E_RNA)
where:
Base-Base interactions energy: -136.138
where: short stacking energy: -60.828
Base-Backbone interact. energy: -0.204
local terms energy: -60.132981
where:
bonds (distance) C4'-P energy: -13.359
bonds (distance) P-C4' energy: -11.795
flat angles C4'-P-C4' energy: -18.564
flat angles P-C4'-P energy: -9.645
tors. eta vs tors. theta energy: -6.770
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -413.361702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.361702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.561702 (E_RNA)
where:
Base-Base interactions energy: -255.275
where: short stacking energy: -99.928
Base-Backbone interact. energy: -0.905
local terms energy: -110.382009
where:
bonds (distance) C4'-P energy: -23.986
bonds (distance) P-C4' energy: -24.750
flat angles C4'-P-C4' energy: -24.494
flat angles P-C4'-P energy: -12.276
tors. eta vs tors. theta energy: -24.876
Dist. restrs. and SS energy: -46.800 (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: 1
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -403.968499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.968499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.368499 (E_RNA)
where:
Base-Base interactions energy: -240.076
where: short stacking energy: -83.279
Base-Backbone interact. energy: -1.385
local terms energy: -113.907819
where:
bonds (distance) C4'-P energy: -23.270
bonds (distance) P-C4' energy: -22.109
flat angles C4'-P-C4' energy: -23.563
flat angles P-C4'-P energy: -17.959
tors. eta vs tors. theta energy: -27.008
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -408.503037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.503037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.103037 (E_RNA)
where:
Base-Base interactions energy: -245.401
where: short stacking energy: -95.408
Base-Backbone interact. energy: -0.588
local terms energy: -112.114472
where:
bonds (distance) C4'-P energy: -20.826
bonds (distance) P-C4' energy: -20.767
flat angles C4'-P-C4' energy: -22.810
flat angles P-C4'-P energy: -16.423
tors. eta vs tors. theta energy: -31.288
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -400.049977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.049977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.449977 (E_RNA)
where:
Base-Base interactions energy: -247.907
where: short stacking energy: -103.270
Base-Backbone interact. energy: -0.089
local terms energy: -103.453611
where:
bonds (distance) C4'-P energy: -15.114
bonds (distance) P-C4' energy: -22.128
flat angles C4'-P-C4' energy: -20.999
flat angles P-C4'-P energy: -16.802
tors. eta vs tors. theta energy: -28.410
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -340.850546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.850546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.250546 (E_RNA)
where:
Base-Base interactions energy: -197.872
where: short stacking energy: -83.134
Base-Backbone interact. energy: -1.537
local terms energy: -92.842056
where:
bonds (distance) C4'-P energy: -18.374
bonds (distance) P-C4' energy: -18.450
flat angles C4'-P-C4' energy: -25.019
flat angles P-C4'-P energy: -17.405
tors. eta vs tors. theta energy: -13.594
Dist. restrs. and SS energy: -48.600 (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: 4
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -312.515568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.515568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.515568 (E_RNA)
where:
Base-Base interactions energy: -179.795
where: short stacking energy: -79.374
Base-Backbone interact. energy: -0.928
local terms energy: -95.792756
where:
bonds (distance) C4'-P energy: -24.292
bonds (distance) P-C4' energy: -18.044
flat angles C4'-P-C4' energy: -21.297
flat angles P-C4'-P energy: -14.416
tors. eta vs tors. theta energy: -17.744
Dist. restrs. and SS energy: -36.000 (S_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: 452
Temperature: 1.200000
Total energy: -301.928355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.928355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.728355 (E_RNA)
where:
Base-Base interactions energy: -178.281
where: short stacking energy: -67.411
Base-Backbone interact. energy: -1.906
local terms energy: -78.541441
where:
bonds (distance) C4'-P energy: -14.034
bonds (distance) P-C4' energy: -23.312
flat angles C4'-P-C4' energy: -14.797
flat angles P-C4'-P energy: -13.292
tors. eta vs tors. theta energy: -13.106
Dist. restrs. and SS energy: -43.200 (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: 3
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -300.274987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.274987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.274987 (E_RNA)
where:
Base-Base interactions energy: -174.773
where: short stacking energy: -88.414
Base-Backbone interact. energy: -0.015
local terms energy: -89.486669
where:
bonds (distance) C4'-P energy: -13.060
bonds (distance) P-C4' energy: -17.734
flat angles C4'-P-C4' energy: -15.944
flat angles P-C4'-P energy: -16.218
tors. eta vs tors. theta energy: -26.530
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -267.985430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.985430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.985430 (E_RNA)
where:
Base-Base interactions energy: -152.345
where: short stacking energy: -61.694
Base-Backbone interact. energy: 0.559
local terms energy: -80.199258
where:
bonds (distance) C4'-P energy: -14.706
bonds (distance) P-C4' energy: -25.001
flat angles C4'-P-C4' energy: -20.021
flat angles P-C4'-P energy: -9.964
tors. eta vs tors. theta energy: -10.507
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -242.792697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.792697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.792697 (E_RNA)
where:
Base-Base interactions energy: -119.432
where: short stacking energy: -54.189
Base-Backbone interact. energy: 2.194
local terms energy: -89.554968
where:
bonds (distance) C4'-P energy: -17.147
bonds (distance) P-C4' energy: -25.510
flat angles C4'-P-C4' energy: -20.625
flat angles P-C4'-P energy: -17.136
tors. eta vs tors. theta energy: -9.137
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -415.841163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.841163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.441163 (E_RNA)
where:
Base-Base interactions energy: -250.127
where: short stacking energy: -96.810
Base-Backbone interact. energy: -0.611
local terms energy: -114.703768
where:
bonds (distance) C4'-P energy: -21.308
bonds (distance) P-C4' energy: -21.962
flat angles C4'-P-C4' energy: -24.540
flat angles P-C4'-P energy: -17.054
tors. eta vs tors. theta energy: -29.839
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -409.336654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.336654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.936654 (E_RNA)
where:
Base-Base interactions energy: -251.276
where: short stacking energy: -91.271
Base-Backbone interact. energy: -1.019
local terms energy: -106.641067
where:
bonds (distance) C4'-P energy: -24.521
bonds (distance) P-C4' energy: -20.330
flat angles C4'-P-C4' energy: -19.927
flat angles P-C4'-P energy: -16.061
tors. eta vs tors. theta energy: -25.802
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -394.680475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.680475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.080475 (E_RNA)
where:
Base-Base interactions energy: -245.133
where: short stacking energy: -84.645
Base-Backbone interact. energy: -0.919
local terms energy: -100.028416
where:
bonds (distance) C4'-P energy: -19.767
bonds (distance) P-C4' energy: -18.598
flat angles C4'-P-C4' energy: -21.647
flat angles P-C4'-P energy: -17.417
tors. eta vs tors. theta energy: -22.600
Dist. restrs. and SS energy: -48.600 (S_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: 453
Temperature: 1.050000
Total energy: -390.993311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.993311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.593311 (E_RNA)
where:
Base-Base interactions energy: -240.733
where: short stacking energy: -94.685
Base-Backbone interact. energy: -0.859
local terms energy: -99.000868
where:
bonds (distance) C4'-P energy: -20.480
bonds (distance) P-C4' energy: -18.711
flat angles C4'-P-C4' energy: -21.070
flat angles P-C4'-P energy: -14.888
tors. eta vs tors. theta energy: -23.853
Dist. restrs. and SS energy: -50.400 (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: 9
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -325.755124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.755124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.355124 (E_RNA)
where:
Base-Base interactions energy: -184.624
where: short stacking energy: -71.053
Base-Backbone interact. energy: -0.528
local terms energy: -90.203172
where:
bonds (distance) C4'-P energy: -18.213
bonds (distance) P-C4' energy: -22.319
flat angles C4'-P-C4' energy: -21.930
flat angles P-C4'-P energy: -11.579
tors. eta vs tors. theta energy: -16.163
Dist. restrs. and SS energy: -50.400 (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: 4
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -312.870172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.870172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.870172 (E_RNA)
where:
Base-Base interactions energy: -176.037
where: short stacking energy: -82.195
Base-Backbone interact. energy: -0.083
local terms energy: -100.749927
where:
bonds (distance) C4'-P energy: -17.134
bonds (distance) P-C4' energy: -24.868
flat angles C4'-P-C4' energy: -21.002
flat angles P-C4'-P energy: -13.364
tors. eta vs tors. theta energy: -24.381
Dist. restrs. and SS energy: -36.000 (S_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: 453
Temperature: 1.200000
Total energy: -278.733767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.733767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.533767 (E_RNA)
where:
Base-Base interactions energy: -156.524
where: short stacking energy: -71.900
Base-Backbone interact. energy: -0.344
local terms energy: -87.665874
where:
bonds (distance) C4'-P energy: -19.173
bonds (distance) P-C4' energy: -17.340
flat angles C4'-P-C4' energy: -14.619
flat angles P-C4'-P energy: -17.682
tors. eta vs tors. theta energy: -18.852
Dist. restrs. and SS energy: -34.200 (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: 8
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -293.935178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.935178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.735178 (E_RNA)
where:
Base-Base interactions energy: -177.117
where: short stacking energy: -79.343
Base-Backbone interact. energy: -0.237
local terms energy: -73.381482
where:
bonds (distance) C4'-P energy: -14.630
bonds (distance) P-C4' energy: -15.763
flat angles C4'-P-C4' energy: -19.407
flat angles P-C4'-P energy: -7.395
tors. eta vs tors. theta energy: -16.187
Dist. restrs. and SS energy: -43.200 (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: 3
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -267.534217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.534217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.534217 (E_RNA)
where:
Base-Base interactions energy: -139.714
where: short stacking energy: -67.499
Base-Backbone interact. energy: 1.871
local terms energy: -93.690690
where:
bonds (distance) C4'-P energy: -22.756
bonds (distance) P-C4' energy: -22.961
flat angles C4'-P-C4' energy: -20.007
flat angles P-C4'-P energy: -15.545
tors. eta vs tors. theta energy: -12.422
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -263.007058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.007058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.807058 (E_RNA)
where:
Base-Base interactions energy: -145.088
where: short stacking energy: -59.760
Base-Backbone interact. energy: -0.095
local terms energy: -83.623814
where:
bonds (distance) C4'-P energy: -17.305
bonds (distance) P-C4' energy: -19.621
flat angles C4'-P-C4' energy: -22.604
flat angles P-C4'-P energy: -13.166
tors. eta vs tors. theta energy: -10.928
Dist. restrs. and SS energy: -34.200 (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: 454
Temperature: 0.900000
Total energy: -415.912496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.912496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.512496 (E_RNA)
where:
Base-Base interactions energy: -246.290
where: short stacking energy: -94.596
Base-Backbone interact. energy: -1.133
local terms energy: -118.089341
where:
bonds (distance) C4'-P energy: -21.583
bonds (distance) P-C4' energy: -23.934
flat angles C4'-P-C4' energy: -26.537
flat angles P-C4'-P energy: -16.816
tors. eta vs tors. theta energy: -29.220
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -413.554891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.554891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.154891 (E_RNA)
where:
Base-Base interactions energy: -243.974
where: short stacking energy: -98.140
Base-Backbone interact. energy: -0.200
local terms energy: -118.981020
where:
bonds (distance) C4'-P energy: -26.212
bonds (distance) P-C4' energy: -26.146
flat angles C4'-P-C4' energy: -23.191
flat angles P-C4'-P energy: -20.103
tors. eta vs tors. theta energy: -23.330
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -396.757134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.757134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.357134 (E_RNA)
where:
Base-Base interactions energy: -243.855
where: short stacking energy: -94.006
Base-Backbone interact. energy: -0.701
local terms energy: -101.800851
where:
bonds (distance) C4'-P energy: -18.319
bonds (distance) P-C4' energy: -26.142
flat angles C4'-P-C4' energy: -18.629
flat angles P-C4'-P energy: -10.704
tors. eta vs tors. theta energy: -28.007
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -393.055737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.055737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.655737 (E_RNA)
where:
Base-Base interactions energy: -245.958
where: short stacking energy: -98.652
Base-Backbone interact. energy: -0.273
local terms energy: -96.425048
where:
bonds (distance) C4'-P energy: -13.823
bonds (distance) P-C4' energy: -19.290
flat angles C4'-P-C4' energy: -24.390
flat angles P-C4'-P energy: -11.809
tors. eta vs tors. theta energy: -27.113
Dist. restrs. and SS energy: -50.400 (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: 4
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -306.787524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.787524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.787524 (E_RNA)
where:
Base-Base interactions energy: -166.204
where: short stacking energy: -85.323
Base-Backbone interact. energy: -0.021
local terms energy: -104.562186
where:
bonds (distance) C4'-P energy: -18.355
bonds (distance) P-C4' energy: -26.564
flat angles C4'-P-C4' energy: -25.374
flat angles P-C4'-P energy: -13.784
tors. eta vs tors. theta energy: -20.486
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -336.120411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.120411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.720411 (E_RNA)
where:
Base-Base interactions energy: -195.643
where: short stacking energy: -75.648
Base-Backbone interact. energy: -0.322
local terms energy: -89.755640
where:
bonds (distance) C4'-P energy: -22.387
bonds (distance) P-C4' energy: -17.773
flat angles C4'-P-C4' energy: -17.528
flat angles P-C4'-P energy: -12.073
tors. eta vs tors. theta energy: -19.996
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -313.265851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.265851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.465851 (E_RNA)
where:
Base-Base interactions energy: -174.689
where: short stacking energy: -70.920
Base-Backbone interact. energy: -0.184
local terms energy: -91.592815
where:
bonds (distance) C4'-P energy: -19.486
bonds (distance) P-C4' energy: -18.816
flat angles C4'-P-C4' energy: -22.276
flat angles P-C4'-P energy: -14.661
tors. eta vs tors. theta energy: -16.354
Dist. restrs. and SS energy: -46.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -279.378830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.378830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.378830 (E_RNA)
where:
Base-Base interactions energy: -147.916
where: short stacking energy: -73.166
Base-Backbone interact. energy: -0.224
local terms energy: -95.238780
where:
bonds (distance) C4'-P energy: -22.104
bonds (distance) P-C4' energy: -23.587
flat angles C4'-P-C4' energy: -19.479
flat angles P-C4'-P energy: -11.726
tors. eta vs tors. theta energy: -18.342
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -277.806702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.806702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.806702 (E_RNA)
where:
Base-Base interactions energy: -157.354
where: short stacking energy: -77.716
Base-Backbone interact. energy: 0.616
local terms energy: -85.068759
where:
bonds (distance) C4'-P energy: -19.071
bonds (distance) P-C4' energy: -17.067
flat angles C4'-P-C4' energy: -20.368
flat angles P-C4'-P energy: -11.103
tors. eta vs tors. theta energy: -17.459
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -250.828380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.828380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.828380 (E_RNA)
where:
Base-Base interactions energy: -136.808
where: short stacking energy: -55.946
Base-Backbone interact. energy: -0.280
local terms energy: -77.740807
where:
bonds (distance) C4'-P energy: -17.261
bonds (distance) P-C4' energy: -18.462
flat angles C4'-P-C4' energy: -21.339
flat angles P-C4'-P energy: -10.513
tors. eta vs tors. theta energy: -10.166
Dist. restrs. and SS energy: -36.000 (S_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: 455
Temperature: 0.900000
Total energy: -422.247987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.247987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.247987 (E_RNA)
where:
Base-Base interactions energy: -267.933
where: short stacking energy: -100.240
Base-Backbone interact. energy: -0.078
local terms energy: -109.237660
where:
bonds (distance) C4'-P energy: -22.941
bonds (distance) P-C4' energy: -23.555
flat angles C4'-P-C4' energy: -17.652
flat angles P-C4'-P energy: -14.875
tors. eta vs tors. theta energy: -30.214
Dist. restrs. and SS energy: -45.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -402.181651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.181651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.781651 (E_RNA)
where:
Base-Base interactions energy: -241.327
where: short stacking energy: -93.134
Base-Backbone interact. energy: -1.518
local terms energy: -108.936541
where:
bonds (distance) C4'-P energy: -22.342
bonds (distance) P-C4' energy: -21.961
flat angles C4'-P-C4' energy: -23.639
flat angles P-C4'-P energy: -14.354
tors. eta vs tors. theta energy: -26.642
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -403.934267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.934267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.534267 (E_RNA)
where:
Base-Base interactions energy: -244.845
where: short stacking energy: -95.596
Base-Backbone interact. energy: 0.439
local terms energy: -109.128717
where:
bonds (distance) C4'-P energy: -19.347
bonds (distance) P-C4' energy: -23.552
flat angles C4'-P-C4' energy: -24.410
flat angles P-C4'-P energy: -16.290
tors. eta vs tors. theta energy: -25.530
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -390.719817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.719817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.119817 (E_RNA)
where:
Base-Base interactions energy: -231.322
where: short stacking energy: -84.583
Base-Backbone interact. energy: -1.431
local terms energy: -109.366607
where:
bonds (distance) C4'-P energy: -20.071
bonds (distance) P-C4' energy: -27.157
flat angles C4'-P-C4' energy: -24.930
flat angles P-C4'-P energy: -16.647
tors. eta vs tors. theta energy: -20.562
Dist. restrs. and SS energy: -48.600 (S_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: 455
Temperature: 1.100000
Total energy: -323.885253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.885253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.885253 (E_RNA)
where:
Base-Base interactions energy: -189.536
where: short stacking energy: -87.023
Base-Backbone interact. energy: -0.051
local terms energy: -98.297455
where:
bonds (distance) C4'-P energy: -14.990
bonds (distance) P-C4' energy: -18.418
flat angles C4'-P-C4' energy: -24.723
flat angles P-C4'-P energy: -12.053
tors. eta vs tors. theta energy: -28.113
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -347.570463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.570463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.170463 (E_RNA)
where:
Base-Base interactions energy: -198.433
where: short stacking energy: -83.881
Base-Backbone interact. energy: -0.276
local terms energy: -98.461464
where:
bonds (distance) C4'-P energy: -17.296
bonds (distance) P-C4' energy: -22.839
flat angles C4'-P-C4' energy: -21.464
flat angles P-C4'-P energy: -13.903
tors. eta vs tors. theta energy: -22.961
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. 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: -290.136972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.136972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.936972 (E_RNA)
where:
Base-Base interactions energy: -159.215
where: short stacking energy: -66.618
Base-Backbone interact. energy: -0.541
local terms energy: -87.181223
where:
bonds (distance) C4'-P energy: -16.817
bonds (distance) P-C4' energy: -22.942
flat angles C4'-P-C4' energy: -24.445
flat angles P-C4'-P energy: -6.238
tors. eta vs tors. theta energy: -16.739
Dist. restrs. and SS energy: -43.200 (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: 3
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -282.495995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.495995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.295995 (E_RNA)
where:
Base-Base interactions energy: -164.587
where: short stacking energy: -74.153
Base-Backbone interact. energy: -1.635
local terms energy: -82.074318
where:
bonds (distance) C4'-P energy: -20.631
bonds (distance) P-C4' energy: -19.481
flat angles C4'-P-C4' energy: -20.922
flat angles P-C4'-P energy: -8.110
tors. eta vs tors. theta energy: -12.930
Dist. restrs. and SS energy: -34.200 (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: 6
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -277.586494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.586494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.386494 (E_RNA)
where:
Base-Base interactions energy: -146.095
where: short stacking energy: -71.949
Base-Backbone interact. energy: -0.513
local terms energy: -96.778054
where:
bonds (distance) C4'-P energy: -20.931
bonds (distance) P-C4' energy: -19.113
flat angles C4'-P-C4' energy: -25.894
flat angles P-C4'-P energy: -15.504
tors. eta vs tors. theta energy: -15.336
Dist. restrs. and SS energy: -34.200 (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: 2
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -266.400147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.400147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.200147 (E_RNA)
where:
Base-Base interactions energy: -156.256
where: short stacking energy: -74.321
Base-Backbone interact. energy: -0.127
local terms energy: -75.817373
where:
bonds (distance) C4'-P energy: -17.218
bonds (distance) P-C4' energy: -15.833
flat angles C4'-P-C4' energy: -15.434
flat angles P-C4'-P energy: -7.857
tors. eta vs tors. theta energy: -19.475
Dist. restrs. and SS energy: -34.200 (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: 456
Temperature: 0.900000
Total energy: -429.166393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.166393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.766393 (E_RNA)
where:
Base-Base interactions energy: -262.008
where: short stacking energy: -104.396
Base-Backbone interact. energy: -1.410
local terms energy: -115.348724
where:
bonds (distance) C4'-P energy: -24.536
bonds (distance) P-C4' energy: -19.960
flat angles C4'-P-C4' energy: -25.374
flat angles P-C4'-P energy: -16.455
tors. eta vs tors. theta energy: -29.024
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -397.932234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.932234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.532234 (E_RNA)
where:
Base-Base interactions energy: -236.457
where: short stacking energy: -90.517
Base-Backbone interact. energy: -1.166
local terms energy: -109.909398
where:
bonds (distance) C4'-P energy: -19.409
bonds (distance) P-C4' energy: -24.725
flat angles C4'-P-C4' energy: -23.593
flat angles P-C4'-P energy: -10.801
tors. eta vs tors. theta energy: -31.381
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -412.666311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.666311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.266311 (E_RNA)
where:
Base-Base interactions energy: -244.776
where: short stacking energy: -101.849
Base-Backbone interact. energy: -1.242
local terms energy: -116.247610
where:
bonds (distance) C4'-P energy: -21.233
bonds (distance) P-C4' energy: -24.084
flat angles C4'-P-C4' energy: -24.131
flat angles P-C4'-P energy: -16.704
tors. eta vs tors. theta energy: -30.096
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -398.344547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.344547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.944547 (E_RNA)
where:
Base-Base interactions energy: -242.953
where: short stacking energy: -93.661
Base-Backbone interact. energy: -0.594
local terms energy: -104.397482
where:
bonds (distance) C4'-P energy: -19.314
bonds (distance) P-C4' energy: -21.381
flat angles C4'-P-C4' energy: -19.863
flat angles P-C4'-P energy: -16.828
tors. eta vs tors. theta energy: -27.011
Dist. restrs. and SS energy: -50.400 (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: 9
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -334.564831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.564831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.164831 (E_RNA)
where:
Base-Base interactions energy: -199.571
where: short stacking energy: -70.721
Base-Backbone interact. energy: 0.948
local terms energy: -85.541457
where:
bonds (distance) C4'-P energy: -17.185
bonds (distance) P-C4' energy: -16.536
flat angles C4'-P-C4' energy: -25.511
flat angles P-C4'-P energy: -11.538
tors. eta vs tors. theta energy: -14.771
Dist. restrs. and SS energy: -50.400 (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: 4
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -315.442342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.442342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.042342 (E_RNA)
where:
Base-Base interactions energy: -188.291
where: short stacking energy: -75.495
Base-Backbone interact. energy: -0.632
local terms energy: -85.119283
where:
bonds (distance) C4'-P energy: -17.843
bonds (distance) P-C4' energy: -21.885
flat angles C4'-P-C4' energy: -18.399
flat angles P-C4'-P energy: -11.454
tors. eta vs tors. theta energy: -15.539
Dist. restrs. and SS energy: -41.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -312.892692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.892692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.492692 (E_RNA)
where:
Base-Base interactions energy: -180.705
where: short stacking energy: -79.983
Base-Backbone interact. energy: -0.087
local terms energy: -90.700883
where:
bonds (distance) C4'-P energy: -18.389
bonds (distance) P-C4' energy: -21.774
flat angles C4'-P-C4' energy: -18.081
flat angles P-C4'-P energy: -12.435
tors. eta vs tors. theta energy: -20.023
Dist. restrs. and SS energy: -41.400 (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: 456
Temperature: 1.250000
Total energy: -270.812455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.812455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.812455 (E_RNA)
where:
Base-Base interactions energy: -145.503
where: short stacking energy: -59.190
Base-Backbone interact. energy: -0.470
local terms energy: -88.839361
where:
bonds (distance) C4'-P energy: -19.766
bonds (distance) P-C4' energy: -22.347
flat angles C4'-P-C4' energy: -22.210
flat angles P-C4'-P energy: -15.318
tors. eta vs tors. theta energy: -9.199
Dist. restrs. and SS energy: -36.000 (S_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: 456
Temperature: 1.300000
Total energy: -272.153919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.153919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.953919 (E_RNA)
where:
Base-Base interactions energy: -161.213
where: short stacking energy: -74.659
Base-Backbone interact. energy: -1.049
local terms energy: -75.691960
where:
bonds (distance) C4'-P energy: -18.379
bonds (distance) P-C4' energy: -12.720
flat angles C4'-P-C4' energy: -16.996
flat angles P-C4'-P energy: -11.981
tors. eta vs tors. theta energy: -15.616
Dist. restrs. and SS energy: -34.200 (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: 2
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -236.032482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.032482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.032482 (E_RNA)
where:
Base-Base interactions energy: -123.616
where: short stacking energy: -44.370
Base-Backbone interact. energy: 0.319
local terms energy: -76.735456
where:
bonds (distance) C4'-P energy: -14.718
bonds (distance) P-C4' energy: -24.229
flat angles C4'-P-C4' energy: -16.013
flat angles P-C4'-P energy: -11.992
tors. eta vs tors. theta energy: -9.783
Dist. restrs. and SS energy: -36.000 (S_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: -421.949853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.949853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.549853 (E_RNA)
where:
Base-Base interactions energy: -248.196
where: short stacking energy: -102.953
Base-Backbone interact. energy: -1.289
local terms energy: -122.064404
where:
bonds (distance) C4'-P energy: -23.824
bonds (distance) P-C4' energy: -26.304
flat angles C4'-P-C4' energy: -25.625
flat angles P-C4'-P energy: -16.454
tors. eta vs tors. theta energy: -29.857
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -414.072610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.072610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.672610 (E_RNA)
where:
Base-Base interactions energy: -246.200
where: short stacking energy: -96.404
Base-Backbone interact. energy: -1.860
local terms energy: -115.612886
where:
bonds (distance) C4'-P energy: -19.377
bonds (distance) P-C4' energy: -25.293
flat angles C4'-P-C4' energy: -26.119
flat angles P-C4'-P energy: -16.695
tors. eta vs tors. theta energy: -28.129
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -401.342392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.342392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.942392 (E_RNA)
where:
Base-Base interactions energy: -237.126
where: short stacking energy: -100.341
Base-Backbone interact. energy: -1.803
local terms energy: -112.012826
where:
bonds (distance) C4'-P energy: -22.439
bonds (distance) P-C4' energy: -24.981
flat angles C4'-P-C4' energy: -20.266
flat angles P-C4'-P energy: -18.738
tors. eta vs tors. theta energy: -25.589
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -389.896628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.896628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.496628 (E_RNA)
where:
Base-Base interactions energy: -230.615
where: short stacking energy: -87.273
Base-Backbone interact. energy: -0.760
local terms energy: -108.121131
where:
bonds (distance) C4'-P energy: -21.010
bonds (distance) P-C4' energy: -21.395
flat angles C4'-P-C4' energy: -22.272
flat angles P-C4'-P energy: -16.733
tors. eta vs tors. theta energy: -26.711
Dist. restrs. and SS energy: -50.400 (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: 9
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -344.784825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.784825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.384825 (E_RNA)
where:
Base-Base interactions energy: -199.437
where: short stacking energy: -76.621
Base-Backbone interact. energy: -1.486
local terms energy: -93.461122
where:
bonds (distance) C4'-P energy: -23.730
bonds (distance) P-C4' energy: -14.796
flat angles C4'-P-C4' energy: -21.208
flat angles P-C4'-P energy: -15.251
tors. eta vs tors. theta energy: -18.475
Dist. restrs. and SS energy: -50.400 (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: 8
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -343.903598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.903598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.303598 (E_RNA)
where:
Base-Base interactions energy: -200.780
where: short stacking energy: -78.430
Base-Backbone interact. energy: -0.102
local terms energy: -94.421923
where:
bonds (distance) C4'-P energy: -19.705
bonds (distance) P-C4' energy: -14.139
flat angles C4'-P-C4' energy: -24.514
flat angles P-C4'-P energy: -14.350
tors. eta vs tors. theta energy: -21.713
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -286.588950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.588950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.588950 (E_RNA)
where:
Base-Base interactions energy: -150.742
where: short stacking energy: -73.856
Base-Backbone interact. energy: -0.105
local terms energy: -99.741186
where:
bonds (distance) C4'-P energy: -23.133
bonds (distance) P-C4' energy: -23.958
flat angles C4'-P-C4' energy: -21.064
flat angles P-C4'-P energy: -12.958
tors. eta vs tors. theta energy: -18.628
Dist. restrs. and SS energy: -36.000 (S_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: 457
Temperature: 1.250000
Total energy: -268.962703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.962703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.962703 (E_RNA)
where:
Base-Base interactions energy: -149.049
where: short stacking energy: -59.466
Base-Backbone interact. energy: -0.403
local terms energy: -83.509863
where:
bonds (distance) C4'-P energy: -23.741
bonds (distance) P-C4' energy: -19.183
flat angles C4'-P-C4' energy: -10.584
flat angles P-C4'-P energy: -19.354
tors. eta vs tors. theta energy: -10.647
Dist. restrs. and SS energy: -36.000 (S_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: 457
Temperature: 1.300000
Total energy: -260.452924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.452924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.452924 (E_RNA)
where:
Base-Base interactions energy: -153.610
where: short stacking energy: -72.854
Base-Backbone interact. energy: -0.167
local terms energy: -70.675944
where:
bonds (distance) C4'-P energy: -14.165
bonds (distance) P-C4' energy: -19.569
flat angles C4'-P-C4' energy: -18.535
flat angles P-C4'-P energy: -7.655
tors. eta vs tors. theta energy: -10.751
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -267.360246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.360246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.960246 (E_RNA)
where:
Base-Base interactions energy: -149.454
where: short stacking energy: -58.858
Base-Backbone interact. energy: 1.048
local terms energy: -86.553725
where:
bonds (distance) C4'-P energy: -22.076
bonds (distance) P-C4' energy: -15.745
flat angles C4'-P-C4' energy: -21.242
flat angles P-C4'-P energy: -18.437
tors. eta vs tors. theta energy: -9.055
Dist. restrs. and SS energy: -32.400 (S_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: -425.165453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.165453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.765453 (E_RNA)
where:
Base-Base interactions energy: -258.676
where: short stacking energy: -98.850
Base-Backbone interact. energy: -1.310
local terms energy: -114.779289
where:
bonds (distance) C4'-P energy: -22.724
bonds (distance) P-C4' energy: -19.936
flat angles C4'-P-C4' energy: -24.545
flat angles P-C4'-P energy: -15.689
tors. eta vs tors. theta energy: -31.886
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -408.534002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.534002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.134002 (E_RNA)
where:
Base-Base interactions energy: -256.150
where: short stacking energy: -97.940
Base-Backbone interact. energy: -0.324
local terms energy: -101.660055
where:
bonds (distance) C4'-P energy: -15.852
bonds (distance) P-C4' energy: -21.207
flat angles C4'-P-C4' energy: -20.242
flat angles P-C4'-P energy: -19.019
tors. eta vs tors. theta energy: -25.340
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -402.670017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.670017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.670017 (E_RNA)
where:
Base-Base interactions energy: -241.888
where: short stacking energy: -98.376
Base-Backbone interact. energy: -1.078
local terms energy: -114.703735
where:
bonds (distance) C4'-P energy: -21.505
bonds (distance) P-C4' energy: -24.353
flat angles C4'-P-C4' energy: -21.050
flat angles P-C4'-P energy: -17.253
tors. eta vs tors. theta energy: -30.543
Dist. restrs. and SS energy: -45.000 (S_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: 458
Temperature: 1.050000
Total energy: -379.777935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.777935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.377935 (E_RNA)
where:
Base-Base interactions energy: -234.227
where: short stacking energy: -87.334
Base-Backbone interact. energy: -1.149
local terms energy: -94.001128
where:
bonds (distance) C4'-P energy: -9.546
bonds (distance) P-C4' energy: -18.720
flat angles C4'-P-C4' energy: -18.235
flat angles P-C4'-P energy: -18.514
tors. eta vs tors. theta energy: -28.987
Dist. restrs. and SS energy: -50.400 (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: 458
Temperature: 1.100000
Total energy: -343.673539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.673539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.473539 (E_RNA)
where:
Base-Base interactions energy: -206.070
where: short stacking energy: -88.843
Base-Backbone interact. energy: -0.197
local terms energy: -94.207143
where:
bonds (distance) C4'-P energy: -20.793
bonds (distance) P-C4' energy: -20.986
flat angles C4'-P-C4' energy: -16.086
flat angles P-C4'-P energy: -13.958
tors. eta vs tors. theta energy: -22.384
Dist. restrs. and SS energy: -43.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -325.326022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.326022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.926022 (E_RNA)
where:
Base-Base interactions energy: -185.371
where: short stacking energy: -75.140
Base-Backbone interact. energy: -0.248
local terms energy: -89.307226
where:
bonds (distance) C4'-P energy: -19.378
bonds (distance) P-C4' energy: -24.303
flat angles C4'-P-C4' energy: -21.444
flat angles P-C4'-P energy: -13.376
tors. eta vs tors. theta energy: -10.806
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -294.367926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.367926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.367926 (E_RNA)
where:
Base-Base interactions energy: -159.609
where: short stacking energy: -78.205
Base-Backbone interact. energy: -0.009
local terms energy: -98.749977
where:
bonds (distance) C4'-P energy: -23.483
bonds (distance) P-C4' energy: -22.785
flat angles C4'-P-C4' energy: -21.201
flat angles P-C4'-P energy: -10.925
tors. eta vs tors. theta energy: -20.356
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -295.537390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.537390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.537390 (E_RNA)
where:
Base-Base interactions energy: -174.869
where: short stacking energy: -80.423
Base-Backbone interact. energy: 1.005
local terms energy: -85.673337
where:
bonds (distance) C4'-P energy: -18.570
bonds (distance) P-C4' energy: -15.101
flat angles C4'-P-C4' energy: -17.669
flat angles P-C4'-P energy: -18.478
tors. eta vs tors. theta energy: -15.855
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -263.901969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.901969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.701969 (E_RNA)
where:
Base-Base interactions energy: -162.791
where: short stacking energy: -68.160
Base-Backbone interact. energy: -0.161
local terms energy: -66.750139
where:
bonds (distance) C4'-P energy: -17.257
bonds (distance) P-C4' energy: -17.253
flat angles C4'-P-C4' energy: -19.734
flat angles P-C4'-P energy: -4.852
tors. eta vs tors. theta energy: -7.654
Dist. restrs. and SS energy: -34.200 (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: 6
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -252.077389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.077389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.877389 (E_RNA)
where:
Base-Base interactions energy: -128.573
where: short stacking energy: -57.229
Base-Backbone interact. energy: 0.701
local terms energy: -90.005365
where:
bonds (distance) C4'-P energy: -20.864
bonds (distance) P-C4' energy: -19.996
flat angles C4'-P-C4' energy: -21.148
flat angles P-C4'-P energy: -16.153
tors. eta vs tors. theta energy: -11.846
Dist. restrs. and SS energy: -34.200 (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: 459
Temperature: 0.900000
Total energy: -432.857535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.857535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.457535 (E_RNA)
where:
Base-Base interactions energy: -262.606
where: short stacking energy: -101.494
Base-Backbone interact. energy: -1.120
local terms energy: -118.731499
where:
bonds (distance) C4'-P energy: -26.370
bonds (distance) P-C4' energy: -18.767
flat angles C4'-P-C4' energy: -26.787
flat angles P-C4'-P energy: -15.561
tors. eta vs tors. theta energy: -31.247
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -406.787242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.787242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.787242 (E_RNA)
where:
Base-Base interactions energy: -250.118
where: short stacking energy: -87.651
Base-Backbone interact. energy: -0.586
local terms energy: -111.083500
where:
bonds (distance) C4'-P energy: -18.132
bonds (distance) P-C4' energy: -25.023
flat angles C4'-P-C4' energy: -23.497
flat angles P-C4'-P energy: -18.200
tors. eta vs tors. theta energy: -26.232
Dist. restrs. and SS energy: -45.000 (S_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: 459
Temperature: 1.000000
Total energy: -400.157230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.157230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.557230 (E_RNA)
where:
Base-Base interactions energy: -243.932
where: short stacking energy: -88.748
Base-Backbone interact. energy: -0.165
local terms energy: -107.460074
where:
bonds (distance) C4'-P energy: -20.649
bonds (distance) P-C4' energy: -22.954
flat angles C4'-P-C4' energy: -23.426
flat angles P-C4'-P energy: -17.438
tors. eta vs tors. theta energy: -22.993
Dist. restrs. and SS energy: -48.600 (S_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: 459
Temperature: 1.050000
Total energy: -376.533174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.533174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.533174 (E_RNA)
where:
Base-Base interactions energy: -222.339
where: short stacking energy: -78.347
Base-Backbone interact. energy: -0.795
local terms energy: -108.399183
where:
bonds (distance) C4'-P energy: -25.212
bonds (distance) P-C4' energy: -25.219
flat angles C4'-P-C4' energy: -20.639
flat angles P-C4'-P energy: -13.541
tors. eta vs tors. theta energy: -23.789
Dist. restrs. and SS energy: -45.000 (S_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: 459
Temperature: 1.100000
Total energy: -343.109854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.109854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.909854 (E_RNA)
where:
Base-Base interactions energy: -202.532
where: short stacking energy: -95.449
Base-Backbone interact. energy: -0.105
local terms energy: -97.272842
where:
bonds (distance) C4'-P energy: -20.054
bonds (distance) P-C4' energy: -18.841
flat angles C4'-P-C4' energy: -18.367
flat angles P-C4'-P energy: -14.291
tors. eta vs tors. theta energy: -25.719
Dist. restrs. and SS energy: -43.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -353.206094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.206094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.806094 (E_RNA)
where:
Base-Base interactions energy: -210.941
where: short stacking energy: -80.664
Base-Backbone interact. energy: 1.205
local terms energy: -93.070337
where:
bonds (distance) C4'-P energy: -19.473
bonds (distance) P-C4' energy: -24.429
flat angles C4'-P-C4' energy: -15.479
flat angles P-C4'-P energy: -15.087
tors. eta vs tors. theta energy: -18.601
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. 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: -286.658980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.658980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.258980 (E_RNA)
where:
Base-Base interactions energy: -164.310
where: short stacking energy: -73.402
Base-Backbone interact. energy: -0.112
local terms energy: -89.836675
where:
bonds (distance) C4'-P energy: -17.781
bonds (distance) P-C4' energy: -20.349
flat angles C4'-P-C4' energy: -24.640
flat angles P-C4'-P energy: -14.566
tors. eta vs tors. theta energy: -12.500
Dist. restrs. and SS energy: -32.400 (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: 2
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -261.271102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.271102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.071102 (E_RNA)
where:
Base-Base interactions energy: -148.295
where: short stacking energy: -71.488
Base-Backbone interact. energy: -0.403
local terms energy: -78.373475
where:
bonds (distance) C4'-P energy: -14.576
bonds (distance) P-C4' energy: -15.907
flat angles C4'-P-C4' energy: -21.063
flat angles P-C4'-P energy: -12.819
tors. eta vs tors. theta energy: -14.008
Dist. restrs. and SS energy: -34.200 (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: 3
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -278.736479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.736479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.736479 (E_RNA)
where:
Base-Base interactions energy: -157.210
where: short stacking energy: -68.503
Base-Backbone interact. energy: -0.302
local terms energy: -85.225062
where:
bonds (distance) C4'-P energy: -17.770
bonds (distance) P-C4' energy: -27.766
flat angles C4'-P-C4' energy: -15.712
flat angles P-C4'-P energy: -12.482
tors. eta vs tors. theta energy: -11.494
Dist. restrs. and SS energy: -36.000 (S_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: 459
Temperature: 1.350000
Total energy: -262.166253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.166253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.166253 (E_RNA)
where:
Base-Base interactions energy: -146.815
where: short stacking energy: -63.203
Base-Backbone interact. energy: -0.168
local terms energy: -79.182954
where:
bonds (distance) C4'-P energy: -8.861
bonds (distance) P-C4' energy: -22.408
flat angles C4'-P-C4' energy: -19.327
flat angles P-C4'-P energy: -20.573
tors. eta vs tors. theta energy: -8.013
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -423.927839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.927839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.527839 (E_RNA)
where:
Base-Base interactions energy: -256.347
where: short stacking energy: -103.796
Base-Backbone interact. energy: 2.056
local terms energy: -119.237155
where:
bonds (distance) C4'-P energy: -28.742
bonds (distance) P-C4' energy: -24.515
flat angles C4'-P-C4' energy: -22.123
flat angles P-C4'-P energy: -16.364
tors. eta vs tors. theta energy: -27.493
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -411.134044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.134044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.734044 (E_RNA)
where:
Base-Base interactions energy: -243.639
where: short stacking energy: -96.566
Base-Backbone interact. energy: -0.147
local terms energy: -116.948034
where:
bonds (distance) C4'-P energy: -24.640
bonds (distance) P-C4' energy: -24.426
flat angles C4'-P-C4' energy: -22.580
flat angles P-C4'-P energy: -20.993
tors. eta vs tors. theta energy: -24.309
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -402.016316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.016316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.416316 (E_RNA)
where:
Base-Base interactions energy: -246.628
where: short stacking energy: -103.535
Base-Backbone interact. energy: -1.420
local terms energy: -105.368104
where:
bonds (distance) C4'-P energy: -17.309
bonds (distance) P-C4' energy: -23.208
flat angles C4'-P-C4' energy: -18.250
flat angles P-C4'-P energy: -19.994
tors. eta vs tors. theta energy: -26.607
Dist. restrs. and SS energy: -48.600 (S_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: 460
Temperature: 1.050000
Total energy: -393.018943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.018943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.618943 (E_RNA)
where:
Base-Base interactions energy: -238.849
where: short stacking energy: -90.294
Base-Backbone interact. energy: -0.460
local terms energy: -103.309606
where:
bonds (distance) C4'-P energy: -17.397
bonds (distance) P-C4' energy: -23.189
flat angles C4'-P-C4' energy: -20.159
flat angles P-C4'-P energy: -13.408
tors. eta vs tors. theta energy: -29.158
Dist. restrs. and SS energy: -50.400 (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: 460
Temperature: 1.100000
Total energy: -341.874701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.874701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.674701 (E_RNA)
where:
Base-Base interactions energy: -198.758
where: short stacking energy: -82.176
Base-Backbone interact. energy: -0.778
local terms energy: -99.138636
where:
bonds (distance) C4'-P energy: -23.500
bonds (distance) P-C4' energy: -22.694
flat angles C4'-P-C4' energy: -20.551
flat angles P-C4'-P energy: -16.499
tors. eta vs tors. theta energy: -15.894
Dist. restrs. and SS energy: -43.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -355.229553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.229553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.629553 (E_RNA)
where:
Base-Base interactions energy: -213.012
where: short stacking energy: -91.529
Base-Backbone interact. energy: 2.529
local terms energy: -96.146853
where:
bonds (distance) C4'-P energy: -16.803
bonds (distance) P-C4' energy: -24.056
flat angles C4'-P-C4' energy: -24.318
flat angles P-C4'-P energy: -9.810
tors. eta vs tors. theta energy: -21.160
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. 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: -291.966961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.966961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.766961 (E_RNA)
where:
Base-Base interactions energy: -162.013
where: short stacking energy: -78.201
Base-Backbone interact. energy: -0.437
local terms energy: -95.316902
where:
bonds (distance) C4'-P energy: -24.002
bonds (distance) P-C4' energy: -22.275
flat angles C4'-P-C4' energy: -21.144
flat angles P-C4'-P energy: -10.419
tors. eta vs tors. theta energy: -17.477
Dist. restrs. and SS energy: -34.200 (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: 2
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -261.760794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.760794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.560794 (E_RNA)
where:
Base-Base interactions energy: -148.044
where: short stacking energy: -71.662
Base-Backbone interact. energy: -0.350
local terms energy: -79.166562
where:
bonds (distance) C4'-P energy: -20.784
bonds (distance) P-C4' energy: -22.474
flat angles C4'-P-C4' energy: -14.450
flat angles P-C4'-P energy: -10.161
tors. eta vs tors. theta energy: -11.297
Dist. restrs. and SS energy: -34.200 (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: 6
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -266.713598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.713598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.713598 (E_RNA)
where:
Base-Base interactions energy: -160.215
where: short stacking energy: -72.947
Base-Backbone interact. energy: 0.379
local terms energy: -70.877042
where:
bonds (distance) C4'-P energy: -15.788
bonds (distance) P-C4' energy: -20.027
flat angles C4'-P-C4' energy: -15.669
flat angles P-C4'-P energy: -6.791
tors. eta vs tors. theta energy: -12.603
Dist. restrs. and SS energy: -36.000 (S_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: 460
Temperature: 1.350000
Total energy: -264.990790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.990790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.790790 (E_RNA)
where:
Base-Base interactions energy: -141.305
where: short stacking energy: -66.182
Base-Backbone interact. energy: 0.545
local terms energy: -90.031119
where:
bonds (distance) C4'-P energy: -13.906
bonds (distance) P-C4' energy: -25.752
flat angles C4'-P-C4' energy: -24.040
flat angles P-C4'-P energy: -11.973
tors. eta vs tors. theta energy: -14.359
Dist. restrs. and SS energy: -34.200 (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: 461
Temperature: 0.900000
Total energy: -419.207526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.207526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.807526 (E_RNA)
where:
Base-Base interactions energy: -257.797
where: short stacking energy: -104.121
Base-Backbone interact. energy: -1.883
local terms energy: -109.128275
where:
bonds (distance) C4'-P energy: -21.242
bonds (distance) P-C4' energy: -18.825
flat angles C4'-P-C4' energy: -25.349
flat angles P-C4'-P energy: -14.590
tors. eta vs tors. theta energy: -29.122
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -416.503716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.503716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.103716 (E_RNA)
where:
Base-Base interactions energy: -256.975
where: short stacking energy: -105.310
Base-Backbone interact. energy: -1.145
local terms energy: -107.983310
where:
bonds (distance) C4'-P energy: -20.073
bonds (distance) P-C4' energy: -20.624
flat angles C4'-P-C4' energy: -25.000
flat angles P-C4'-P energy: -13.408
tors. eta vs tors. theta energy: -28.878
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -402.670493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.670493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.270493 (E_RNA)
where:
Base-Base interactions energy: -242.939
where: short stacking energy: -92.806
Base-Backbone interact. energy: -0.741
local terms energy: -108.590518
where:
bonds (distance) C4'-P energy: -19.554
bonds (distance) P-C4' energy: -23.010
flat angles C4'-P-C4' energy: -24.282
flat angles P-C4'-P energy: -17.220
tors. eta vs tors. theta energy: -24.525
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -396.492645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.492645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.092645 (E_RNA)
where:
Base-Base interactions energy: -241.282
where: short stacking energy: -87.521
Base-Backbone interact. energy: 0.391
local terms energy: -105.202047
where:
bonds (distance) C4'-P energy: -17.441
bonds (distance) P-C4' energy: -25.859
flat angles C4'-P-C4' energy: -21.334
flat angles P-C4'-P energy: -16.343
tors. eta vs tors. theta energy: -24.225
Dist. restrs. and SS energy: -50.400 (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: 461
Temperature: 1.100000
Total energy: -337.764346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.764346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.364346 (E_RNA)
where:
Base-Base interactions energy: -191.539
where: short stacking energy: -73.772
Base-Backbone interact. energy: 0.241
local terms energy: -105.066701
where:
bonds (distance) C4'-P energy: -23.013
bonds (distance) P-C4' energy: -25.265
flat angles C4'-P-C4' energy: -23.261
flat angles P-C4'-P energy: -13.728
tors. eta vs tors. theta energy: -19.800
Dist. restrs. and SS energy: -41.400 (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: 9
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -337.626334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.626334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.826334 (E_RNA)
where:
Base-Base interactions energy: -190.029
where: short stacking energy: -67.341
Base-Backbone interact. energy: 0.069
local terms energy: -100.866349
where:
bonds (distance) C4'-P energy: -21.845
bonds (distance) P-C4' energy: -26.328
flat angles C4'-P-C4' energy: -22.556
flat angles P-C4'-P energy: -10.558
tors. eta vs tors. theta energy: -19.579
Dist. restrs. and SS energy: -46.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -282.204846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.204846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.204846 (E_RNA)
where:
Base-Base interactions energy: -166.340
where: short stacking energy: -67.309
Base-Backbone interact. energy: 0.239
local terms energy: -80.104267
where:
bonds (distance) C4'-P energy: -8.672
bonds (distance) P-C4' energy: -17.826
flat angles C4'-P-C4' energy: -18.235
flat angles P-C4'-P energy: -17.123
tors. eta vs tors. theta energy: -18.249
Dist. restrs. and SS energy: -36.000 (S_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: 461
Temperature: 1.250000
Total energy: -277.123431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.123431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.923431 (E_RNA)
where:
Base-Base interactions energy: -171.070
where: short stacking energy: -77.116
Base-Backbone interact. energy: -0.995
local terms energy: -70.857764
where:
bonds (distance) C4'-P energy: -15.621
bonds (distance) P-C4' energy: -16.161
flat angles C4'-P-C4' energy: -14.949
flat angles P-C4'-P energy: -9.243
tors. eta vs tors. theta energy: -14.883
Dist. restrs. and SS energy: -34.200 (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: 2
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -266.412009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.412009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.412009 (E_RNA)
where:
Base-Base interactions energy: -142.228
where: short stacking energy: -68.499
Base-Backbone interact. energy: -0.321
local terms energy: -87.862712
where:
bonds (distance) C4'-P energy: -23.842
bonds (distance) P-C4' energy: -13.091
flat angles C4'-P-C4' energy: -23.130
flat angles P-C4'-P energy: -14.258
tors. eta vs tors. theta energy: -13.542
Dist. restrs. and SS energy: -36.000 (S_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: 461
Temperature: 1.350000
Total energy: -264.442307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.442307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.442307 (E_RNA)
where:
Base-Base interactions energy: -138.764
where: short stacking energy: -65.504
Base-Backbone interact. energy: -0.489
local terms energy: -89.189477
where:
bonds (distance) C4'-P energy: -16.634
bonds (distance) P-C4' energy: -21.213
flat angles C4'-P-C4' energy: -18.475
flat angles P-C4'-P energy: -12.238
tors. eta vs tors. theta energy: -20.630
Dist. restrs. and SS energy: -36.000 (S_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: 462
Temperature: 0.900000
Total energy: -420.615337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.615337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.215337 (E_RNA)
where:
Base-Base interactions energy: -255.277
where: short stacking energy: -103.212
Base-Backbone interact. energy: -1.467
local terms energy: -113.471578
where:
bonds (distance) C4'-P energy: -23.125
bonds (distance) P-C4' energy: -23.308
flat angles C4'-P-C4' energy: -24.185
flat angles P-C4'-P energy: -15.321
tors. eta vs tors. theta energy: -27.532
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -419.899364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.899364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.499364 (E_RNA)
where:
Base-Base interactions energy: -248.740
where: short stacking energy: -95.014
Base-Backbone interact. energy: -2.957
local terms energy: -117.802738
where:
bonds (distance) C4'-P energy: -22.474
bonds (distance) P-C4' energy: -23.326
flat angles C4'-P-C4' energy: -22.504
flat angles P-C4'-P energy: -17.408
tors. eta vs tors. theta energy: -32.091
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -403.155269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.155269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.755269 (E_RNA)
where:
Base-Base interactions energy: -246.513
where: short stacking energy: -103.817
Base-Backbone interact. energy: 0.906
local terms energy: -107.147950
where:
bonds (distance) C4'-P energy: -24.654
bonds (distance) P-C4' energy: -16.084
flat angles C4'-P-C4' energy: -23.027
flat angles P-C4'-P energy: -15.421
tors. eta vs tors. theta energy: -27.963
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -397.877971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.877971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.477971 (E_RNA)
where:
Base-Base interactions energy: -243.062
where: short stacking energy: -93.220
Base-Backbone interact. energy: -1.311
local terms energy: -103.104974
where:
bonds (distance) C4'-P energy: -17.374
bonds (distance) P-C4' energy: -20.925
flat angles C4'-P-C4' energy: -17.687
flat angles P-C4'-P energy: -17.138
tors. eta vs tors. theta energy: -29.981
Dist. restrs. and SS energy: -50.400 (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: 462
Temperature: 1.100000
Total energy: -337.088967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.088967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.688967 (E_RNA)
where:
Base-Base interactions energy: -189.120
where: short stacking energy: -76.849
Base-Backbone interact. energy: -0.817
local terms energy: -96.751732
where:
bonds (distance) C4'-P energy: -15.165
bonds (distance) P-C4' energy: -21.256
flat angles C4'-P-C4' energy: -27.357
flat angles P-C4'-P energy: -13.194
tors. eta vs tors. theta energy: -19.781
Dist. restrs. and SS energy: -50.400 (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: 9
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -321.910562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.910562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.910562 (E_RNA)
where:
Base-Base interactions energy: -187.350
where: short stacking energy: -69.128
Base-Backbone interact. energy: 0.888
local terms energy: -90.448612
where:
bonds (distance) C4'-P energy: -23.275
bonds (distance) P-C4' energy: -21.339
flat angles C4'-P-C4' energy: -14.760
flat angles P-C4'-P energy: -11.503
tors. eta vs tors. theta energy: -19.572
Dist. restrs. and SS energy: -45.000 (S_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: 462
Temperature: 1.200000
Total energy: -279.717755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.717755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.717755 (E_RNA)
where:
Base-Base interactions energy: -166.481
where: short stacking energy: -60.570
Base-Backbone interact. energy: -0.438
local terms energy: -76.798637
where:
bonds (distance) C4'-P energy: -16.990
bonds (distance) P-C4' energy: -19.962
flat angles C4'-P-C4' energy: -13.873
flat angles P-C4'-P energy: -16.825
tors. eta vs tors. theta energy: -9.149
Dist. restrs. and SS energy: -36.000 (S_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: 462
Temperature: 1.250000
Total energy: -267.304574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.304574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.304574 (E_RNA)
where:
Base-Base interactions energy: -150.447
where: short stacking energy: -71.071
Base-Backbone interact. energy: -0.249
local terms energy: -80.608737
where:
bonds (distance) C4'-P energy: -16.121
bonds (distance) P-C4' energy: -19.360
flat angles C4'-P-C4' energy: -15.650
flat angles P-C4'-P energy: -13.513
tors. eta vs tors. theta energy: -15.964
Dist. restrs. and SS energy: -36.000 (S_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: 462
Temperature: 1.300000
Total energy: -259.733743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.733743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.733743 (E_RNA)
where:
Base-Base interactions energy: -148.152
where: short stacking energy: -65.184
Base-Backbone interact. energy: 0.139
local terms energy: -75.720821
where:
bonds (distance) C4'-P energy: -12.216
bonds (distance) P-C4' energy: -22.022
flat angles C4'-P-C4' energy: -15.961
flat angles P-C4'-P energy: -14.843
tors. eta vs tors. theta energy: -10.678
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -249.496405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.496405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.496405 (E_RNA)
where:
Base-Base interactions energy: -146.039
where: short stacking energy: -64.535
Base-Backbone interact. energy: -0.743
local terms energy: -66.714183
where:
bonds (distance) C4'-P energy: -20.321
bonds (distance) P-C4' energy: -11.784
flat angles C4'-P-C4' energy: -15.713
flat angles P-C4'-P energy: -10.197
tors. eta vs tors. theta energy: -8.699
Dist. restrs. and SS energy: -36.000 (S_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: 463
Temperature: 0.900000
Total energy: -422.320752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.320752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.920752 (E_RNA)
where:
Base-Base interactions energy: -257.026
where: short stacking energy: -92.218
Base-Backbone interact. energy: -0.849
local terms energy: -114.045338
where:
bonds (distance) C4'-P energy: -23.247
bonds (distance) P-C4' energy: -23.389
flat angles C4'-P-C4' energy: -26.835
flat angles P-C4'-P energy: -13.835
tors. eta vs tors. theta energy: -26.739
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -402.237213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.237213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.237213 (E_RNA)
where:
Base-Base interactions energy: -252.995
where: short stacking energy: -103.951
Base-Backbone interact. energy: -0.539
local terms energy: -103.703069
where:
bonds (distance) C4'-P energy: -22.143
bonds (distance) P-C4' energy: -19.005
flat angles C4'-P-C4' energy: -20.660
flat angles P-C4'-P energy: -15.490
tors. eta vs tors. theta energy: -26.406
Dist. restrs. and SS energy: -45.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -405.260522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.260522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.860522 (E_RNA)
where:
Base-Base interactions energy: -246.494
where: short stacking energy: -90.665
Base-Backbone interact. energy: -0.203
local terms energy: -108.163435
where:
bonds (distance) C4'-P energy: -20.058
bonds (distance) P-C4' energy: -23.956
flat angles C4'-P-C4' energy: -23.746
flat angles P-C4'-P energy: -17.055
tors. eta vs tors. theta energy: -23.349
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -392.176534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.176534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.176534 (E_RNA)
where:
Base-Base interactions energy: -241.628
where: short stacking energy: -93.639
Base-Backbone interact. energy: -1.651
local terms energy: -103.897944
where:
bonds (distance) C4'-P energy: -23.604
bonds (distance) P-C4' energy: -17.152
flat angles C4'-P-C4' energy: -24.268
flat angles P-C4'-P energy: -13.056
tors. eta vs tors. theta energy: -25.818
Dist. restrs. and SS energy: -45.000 (S_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: 463
Temperature: 1.100000
Total energy: -352.595459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.595459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.195459 (E_RNA)
where:
Base-Base interactions energy: -210.151
where: short stacking energy: -83.887
Base-Backbone interact. energy: -0.333
local terms energy: -91.711140
where:
bonds (distance) C4'-P energy: -19.904
bonds (distance) P-C4' energy: -16.676
flat angles C4'-P-C4' energy: -20.549
flat angles P-C4'-P energy: -14.916
tors. eta vs tors. theta energy: -19.667
Dist. restrs. and SS energy: -50.400 (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: 9
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -326.130546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.130546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.730546 (E_RNA)
where:
Base-Base interactions energy: -174.272
where: short stacking energy: -74.541
Base-Backbone interact. energy: -1.222
local terms energy: -100.235876
where:
bonds (distance) C4'-P energy: -22.904
bonds (distance) P-C4' energy: -18.918
flat angles C4'-P-C4' energy: -22.566
flat angles P-C4'-P energy: -13.478
tors. eta vs tors. theta energy: -22.370
Dist. restrs. and SS energy: -50.400 (S_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: 463
Temperature: 1.200000
Total energy: -308.624755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.624755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.624755 (E_RNA)
where:
Base-Base interactions energy: -174.939
where: short stacking energy: -82.271
Base-Backbone interact. energy: -0.201
local terms energy: -97.484703
where:
bonds (distance) C4'-P energy: -20.768
bonds (distance) P-C4' energy: -25.321
flat angles C4'-P-C4' energy: -16.832
flat angles P-C4'-P energy: -12.056
tors. eta vs tors. theta energy: -22.508
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -265.408918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.408918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.408918 (E_RNA)
where:
Base-Base interactions energy: -144.204
where: short stacking energy: -61.739
Base-Backbone interact. energy: -0.136
local terms energy: -85.069334
where:
bonds (distance) C4'-P energy: -19.397
bonds (distance) P-C4' energy: -24.756
flat angles C4'-P-C4' energy: -18.220
flat angles P-C4'-P energy: -12.226
tors. eta vs tors. theta energy: -10.470
Dist. restrs. and SS energy: -36.000 (S_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: 463
Temperature: 1.300000
Total energy: -274.352769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.352769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.152769 (E_RNA)
where:
Base-Base interactions energy: -154.612
where: short stacking energy: -66.737
Base-Backbone interact. energy: -0.168
local terms energy: -85.372515
where:
bonds (distance) C4'-P energy: -20.128
bonds (distance) P-C4' energy: -20.323
flat angles C4'-P-C4' energy: -18.048
flat angles P-C4'-P energy: -13.149
tors. eta vs tors. theta energy: -13.726
Dist. restrs. and SS energy: -34.200 (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: 2
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -269.016894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.016894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.816894 (E_RNA)
where:
Base-Base interactions energy: -152.741
where: short stacking energy: -75.508
Base-Backbone interact. energy: -0.116
local terms energy: -81.959576
where:
bonds (distance) C4'-P energy: -17.309
bonds (distance) P-C4' energy: -16.958
flat angles C4'-P-C4' energy: -19.567
flat angles P-C4'-P energy: -10.735
tors. eta vs tors. theta energy: -17.391
Dist. restrs. and SS energy: -34.200 (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: 5
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -413.522357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.522357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.122357 (E_RNA)
where:
Base-Base interactions energy: -246.152
where: short stacking energy: -104.161
Base-Backbone interact. energy: -1.216
local terms energy: -115.753739
where:
bonds (distance) C4'-P energy: -17.539
bonds (distance) P-C4' energy: -25.133
flat angles C4'-P-C4' energy: -26.438
flat angles P-C4'-P energy: -15.931
tors. eta vs tors. theta energy: -30.712
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -416.343906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.343906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.943906 (E_RNA)
where:
Base-Base interactions energy: -256.600
where: short stacking energy: -104.409
Base-Backbone interact. energy: -0.247
local terms energy: -109.096450
where:
bonds (distance) C4'-P energy: -18.647
bonds (distance) P-C4' energy: -22.754
flat angles C4'-P-C4' energy: -24.319
flat angles P-C4'-P energy: -16.240
tors. eta vs tors. theta energy: -27.137
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -387.950853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.950853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.550853 (E_RNA)
where:
Base-Base interactions energy: -229.514
where: short stacking energy: -87.249
Base-Backbone interact. energy: -0.606
local terms energy: -107.430406
where:
bonds (distance) C4'-P energy: -21.997
bonds (distance) P-C4' energy: -25.065
flat angles C4'-P-C4' energy: -13.815
flat angles P-C4'-P energy: -17.726
tors. eta vs tors. theta energy: -28.827
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -377.587679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.587679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.187679 (E_RNA)
where:
Base-Base interactions energy: -236.353
where: short stacking energy: -90.307
Base-Backbone interact. energy: -0.589
local terms energy: -90.245392
where:
bonds (distance) C4'-P energy: -14.567
bonds (distance) P-C4' energy: -18.462
flat angles C4'-P-C4' energy: -23.271
flat angles P-C4'-P energy: -12.431
tors. eta vs tors. theta energy: -21.514
Dist. restrs. and SS energy: -50.400 (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: 464
Temperature: 1.100000
Total energy: -340.725715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.725715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.725715 (E_RNA)
where:
Base-Base interactions energy: -200.318
where: short stacking energy: -78.268
Base-Backbone interact. energy: -0.716
local terms energy: -94.691626
where:
bonds (distance) C4'-P energy: -17.395
bonds (distance) P-C4' energy: -27.559
flat angles C4'-P-C4' energy: -20.699
flat angles P-C4'-P energy: -9.089
tors. eta vs tors. theta energy: -19.950
Dist. restrs. and SS energy: -45.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -338.128453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.128453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.728453 (E_RNA)
where:
Base-Base interactions energy: -203.183
where: short stacking energy: -87.038
Base-Backbone interact. energy: 1.869
local terms energy: -86.414123
where:
bonds (distance) C4'-P energy: -17.229
bonds (distance) P-C4' energy: -23.128
flat angles C4'-P-C4' energy: -15.324
flat angles P-C4'-P energy: -12.444
tors. eta vs tors. theta energy: -18.290
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -278.745236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.745236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.345236 (E_RNA)
where:
Base-Base interactions energy: -161.681
where: short stacking energy: -57.616
Base-Backbone interact. energy: -0.690
local terms energy: -83.974660
where:
bonds (distance) C4'-P energy: -17.616
bonds (distance) P-C4' energy: -17.683
flat angles C4'-P-C4' energy: -18.496
flat angles P-C4'-P energy: -15.493
tors. eta vs tors. theta energy: -14.687
Dist. restrs. and SS energy: -32.400 (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: 6
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -287.555423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.555423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.355423 (E_RNA)
where:
Base-Base interactions energy: -164.875
where: short stacking energy: -79.974
Base-Backbone interact. energy: 0.833
local terms energy: -89.313959
where:
bonds (distance) C4'-P energy: -21.791
bonds (distance) P-C4' energy: -21.466
flat angles C4'-P-C4' energy: -15.543
flat angles P-C4'-P energy: -13.628
tors. eta vs tors. theta energy: -16.885
Dist. restrs. and SS energy: -34.200 (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: 2
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -272.044804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.044804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.644804 (E_RNA)
where:
Base-Base interactions energy: -155.931
where: short stacking energy: -69.688
Base-Backbone interact. energy: -0.316
local terms energy: -83.397858
where:
bonds (distance) C4'-P energy: -18.078
bonds (distance) P-C4' energy: -15.858
flat angles C4'-P-C4' energy: -21.356
flat angles P-C4'-P energy: -13.265
tors. eta vs tors. theta energy: -14.841
Dist. restrs. and SS energy: -32.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -264.104437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.104437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.104437 (E_RNA)
where:
Base-Base interactions energy: -142.521
where: short stacking energy: -66.073
Base-Backbone interact. energy: -0.775
local terms energy: -84.808476
where:
bonds (distance) C4'-P energy: -26.172
bonds (distance) P-C4' energy: -16.942
flat angles C4'-P-C4' energy: -17.145
flat angles P-C4'-P energy: -11.846
tors. eta vs tors. theta energy: -12.704
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -418.281828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.281828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.881828 (E_RNA)
where:
Base-Base interactions energy: -260.109
where: short stacking energy: -98.001
Base-Backbone interact. energy: -1.324
local terms energy: -106.448260
where:
bonds (distance) C4'-P energy: -20.081
bonds (distance) P-C4' energy: -20.693
flat angles C4'-P-C4' energy: -21.100
flat angles P-C4'-P energy: -14.723
tors. eta vs tors. theta energy: -29.851
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -423.240620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.240620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.840620 (E_RNA)
where:
Base-Base interactions energy: -258.781
where: short stacking energy: -104.879
Base-Backbone interact. energy: -0.775
local terms energy: -113.284505
where:
bonds (distance) C4'-P energy: -22.521
bonds (distance) P-C4' energy: -19.460
flat angles C4'-P-C4' energy: -23.895
flat angles P-C4'-P energy: -19.840
tors. eta vs tors. theta energy: -27.568
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -412.557876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.557876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.157876 (E_RNA)
where:
Base-Base interactions energy: -244.485
where: short stacking energy: -95.761
Base-Backbone interact. energy: -1.588
local terms energy: -116.085088
where:
bonds (distance) C4'-P energy: -22.537
bonds (distance) P-C4' energy: -27.788
flat angles C4'-P-C4' energy: -18.125
flat angles P-C4'-P energy: -15.665
tors. eta vs tors. theta energy: -31.970
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -378.155041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.155041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.755041 (E_RNA)
where:
Base-Base interactions energy: -226.791
where: short stacking energy: -89.631
Base-Backbone interact. energy: -0.618
local terms energy: -100.346174
where:
bonds (distance) C4'-P energy: -19.972
bonds (distance) P-C4' energy: -18.025
flat angles C4'-P-C4' energy: -25.285
flat angles P-C4'-P energy: -17.456
tors. eta vs tors. theta energy: -19.608
Dist. restrs. and SS energy: -50.400 (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: 465
Temperature: 1.100000
Total energy: -337.905525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.905525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.505525 (E_RNA)
where:
Base-Base interactions energy: -198.205
where: short stacking energy: -82.524
Base-Backbone interact. energy: -1.419
local terms energy: -96.881805
where:
bonds (distance) C4'-P energy: -23.300
bonds (distance) P-C4' energy: -21.078
flat angles C4'-P-C4' energy: -23.246
flat angles P-C4'-P energy: -10.679
tors. eta vs tors. theta energy: -18.579
Dist. restrs. and SS energy: -41.400 (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: 9
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -337.728275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.728275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.128275 (E_RNA)
where:
Base-Base interactions energy: -202.461
where: short stacking energy: -82.467
Base-Backbone interact. energy: -0.775
local terms energy: -85.892062
where:
bonds (distance) C4'-P energy: -15.461
bonds (distance) P-C4' energy: -19.647
flat angles C4'-P-C4' energy: -18.405
flat angles P-C4'-P energy: -14.098
tors. eta vs tors. theta energy: -18.282
Dist. restrs. and SS energy: -48.600 (S_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: -319.290597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.290597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.290597 (E_RNA)
where:
Base-Base interactions energy: -179.735
where: short stacking energy: -76.971
Base-Backbone interact. energy: -0.132
local terms energy: -103.423587
where:
bonds (distance) C4'-P energy: -22.128
bonds (distance) P-C4' energy: -24.321
flat angles C4'-P-C4' energy: -21.955
flat angles P-C4'-P energy: -15.893
tors. eta vs tors. theta energy: -19.128
Dist. restrs. and SS energy: -36.000 (S_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: 465
Temperature: 1.250000
Total energy: -270.955747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.955747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.955747 (E_RNA)
where:
Base-Base interactions energy: -152.494
where: short stacking energy: -74.337
Base-Backbone interact. energy: -0.224
local terms energy: -82.237898
where:
bonds (distance) C4'-P energy: -20.207
bonds (distance) P-C4' energy: -25.372
flat angles C4'-P-C4' energy: -20.512
flat angles P-C4'-P energy: -1.875
tors. eta vs tors. theta energy: -14.272
Dist. restrs. and SS energy: -36.000 (S_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: 465
Temperature: 1.300000
Total energy: -294.462539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.462539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.462539 (E_RNA)
where:
Base-Base interactions energy: -165.793
where: short stacking energy: -76.883
Base-Backbone interact. energy: -0.496
local terms energy: -92.173459
where:
bonds (distance) C4'-P energy: -17.787
bonds (distance) P-C4' energy: -20.699
flat angles C4'-P-C4' energy: -21.897
flat angles P-C4'-P energy: -7.946
tors. eta vs tors. theta energy: -23.845
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -262.020073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.020073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.020073 (E_RNA)
where:
Base-Base interactions energy: -148.481
where: short stacking energy: -66.730
Base-Backbone interact. energy: -0.334
local terms energy: -77.205059
where:
bonds (distance) C4'-P energy: -18.160
bonds (distance) P-C4' energy: -19.902
flat angles C4'-P-C4' energy: -22.036
flat angles P-C4'-P energy: -9.833
tors. eta vs tors. theta energy: -7.274
Dist. restrs. and SS energy: -36.000 (S_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: 466
Temperature: 0.900000
Total energy: -419.467329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.467329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.067329 (E_RNA)
where:
Base-Base interactions energy: -253.485
where: short stacking energy: -101.800
Base-Backbone interact. energy: 1.551
local terms energy: -117.133736
where:
bonds (distance) C4'-P energy: -19.672
bonds (distance) P-C4' energy: -26.477
flat angles C4'-P-C4' energy: -24.340
flat angles P-C4'-P energy: -19.188
tors. eta vs tors. theta energy: -27.456
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -424.282941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.282941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.882941 (E_RNA)
where:
Base-Base interactions energy: -250.646
where: short stacking energy: -96.660
Base-Backbone interact. energy: -2.629
local terms energy: -120.608717
where:
bonds (distance) C4'-P energy: -22.077
bonds (distance) P-C4' energy: -27.182
flat angles C4'-P-C4' energy: -23.996
flat angles P-C4'-P energy: -19.104
tors. eta vs tors. theta energy: -28.250
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -401.255720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.255720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.855720 (E_RNA)
where:
Base-Base interactions energy: -243.126
where: short stacking energy: -103.831
Base-Backbone interact. energy: -0.292
local terms energy: -107.438111
where:
bonds (distance) C4'-P energy: -18.935
bonds (distance) P-C4' energy: -20.378
flat angles C4'-P-C4' energy: -25.076
flat angles P-C4'-P energy: -16.197
tors. eta vs tors. theta energy: -26.851
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -404.534254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.534254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.734254 (E_RNA)
where:
Base-Base interactions energy: -246.822
where: short stacking energy: -89.637
Base-Backbone interact. energy: -0.854
local terms energy: -110.058193
where:
bonds (distance) C4'-P energy: -21.769
bonds (distance) P-C4' energy: -21.158
flat angles C4'-P-C4' energy: -22.319
flat angles P-C4'-P energy: -18.487
tors. eta vs tors. theta energy: -26.326
Dist. restrs. and SS energy: -46.800 (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: 9
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -354.769917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.769917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.169917 (E_RNA)
where:
Base-Base interactions energy: -216.485
where: short stacking energy: -83.222
Base-Backbone interact. energy: 0.813
local terms energy: -90.497727
where:
bonds (distance) C4'-P energy: -19.764
bonds (distance) P-C4' energy: -20.304
flat angles C4'-P-C4' energy: -23.343
flat angles P-C4'-P energy: -14.596
tors. eta vs tors. theta energy: -12.492
Dist. restrs. and SS energy: -48.600 (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: 466
Temperature: 1.150000
Total energy: -314.988927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.988927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.788927 (E_RNA)
where:
Base-Base interactions energy: -176.158
where: short stacking energy: -67.164
Base-Backbone interact. energy: 0.647
local terms energy: -96.277653
where:
bonds (distance) C4'-P energy: -19.937
bonds (distance) P-C4' energy: -24.259
flat angles C4'-P-C4' energy: -18.201
flat angles P-C4'-P energy: -17.480
tors. eta vs tors. theta energy: -16.401
Dist. restrs. and SS energy: -43.200 (S_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: 466
Temperature: 1.200000
Total energy: -298.136812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.136812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.136812 (E_RNA)
where:
Base-Base interactions energy: -180.263
where: short stacking energy: -67.890
Base-Backbone interact. energy: 0.015
local terms energy: -81.889085
where:
bonds (distance) C4'-P energy: -19.099
bonds (distance) P-C4' energy: -19.851
flat angles C4'-P-C4' energy: -18.161
flat angles P-C4'-P energy: -10.608
tors. eta vs tors. theta energy: -14.170
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -283.097382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.097382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.897382 (E_RNA)
where:
Base-Base interactions energy: -157.735
where: short stacking energy: -68.039
Base-Backbone interact. energy: 1.906
local terms energy: -93.068896
where:
bonds (distance) C4'-P energy: -16.138
bonds (distance) P-C4' energy: -26.130
flat angles C4'-P-C4' energy: -21.065
flat angles P-C4'-P energy: -15.079
tors. eta vs tors. theta energy: -14.658
Dist. restrs. and SS energy: -34.200 (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: 4
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -250.646588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.646588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.646588 (E_RNA)
where:
Base-Base interactions energy: -140.178
where: short stacking energy: -55.558
Base-Backbone interact. energy: 1.504
local terms energy: -75.971977
where:
bonds (distance) C4'-P energy: -15.636
bonds (distance) P-C4' energy: -18.365
flat angles C4'-P-C4' energy: -24.108
flat angles P-C4'-P energy: -6.916
tors. eta vs tors. theta energy: -10.946
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -262.385529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.385529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.385529 (E_RNA)
where:
Base-Base interactions energy: -152.481
where: short stacking energy: -68.944
Base-Backbone interact. energy: -0.379
local terms energy: -73.525581
where:
bonds (distance) C4'-P energy: -14.137
bonds (distance) P-C4' energy: -18.819
flat angles C4'-P-C4' energy: -15.628
flat angles P-C4'-P energy: -13.387
tors. eta vs tors. theta energy: -11.555
Dist. restrs. and SS energy: -36.000 (S_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: 467
Temperature: 0.900000
Total energy: -418.006635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.006635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.606635 (E_RNA)
where:
Base-Base interactions energy: -251.323
where: short stacking energy: -94.838
Base-Backbone interact. energy: -0.344
local terms energy: -115.938958
where:
bonds (distance) C4'-P energy: -23.932
bonds (distance) P-C4' energy: -21.666
flat angles C4'-P-C4' energy: -25.963
flat angles P-C4'-P energy: -16.319
tors. eta vs tors. theta energy: -28.058
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -418.485681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.485681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.685681 (E_RNA)
where:
Base-Base interactions energy: -259.065
where: short stacking energy: -97.880
Base-Backbone interact. energy: -0.586
local terms energy: -112.034540
where:
bonds (distance) C4'-P energy: -22.805
bonds (distance) P-C4' energy: -22.119
flat angles C4'-P-C4' energy: -26.513
flat angles P-C4'-P energy: -12.914
tors. eta vs tors. theta energy: -27.683
Dist. restrs. and SS energy: -46.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -407.309146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.309146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.509146 (E_RNA)
where:
Base-Base interactions energy: -244.597
where: short stacking energy: -89.120
Base-Backbone interact. energy: -0.924
local terms energy: -114.987259
where:
bonds (distance) C4'-P energy: -23.551
bonds (distance) P-C4' energy: -20.941
flat angles C4'-P-C4' energy: -26.405
flat angles P-C4'-P energy: -18.815
tors. eta vs tors. theta energy: -25.274
Dist. restrs. and SS energy: -46.800 (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: 1
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -396.557108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.557108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.157108 (E_RNA)
where:
Base-Base interactions energy: -237.456
where: short stacking energy: -92.449
Base-Backbone interact. energy: 1.502
local terms energy: -110.203320
where:
bonds (distance) C4'-P energy: -20.790
bonds (distance) P-C4' energy: -25.180
flat angles C4'-P-C4' energy: -18.283
flat angles P-C4'-P energy: -19.966
tors. eta vs tors. theta energy: -25.984
Dist. restrs. and SS energy: -50.400 (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: 9
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -348.500670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.500670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.900670 (E_RNA)
where:
Base-Base interactions energy: -211.581
where: short stacking energy: -82.757
Base-Backbone interact. energy: -0.646
local terms energy: -87.673290
where:
bonds (distance) C4'-P energy: -20.392
bonds (distance) P-C4' energy: -20.672
flat angles C4'-P-C4' energy: -19.495
flat angles P-C4'-P energy: -10.123
tors. eta vs tors. theta energy: -16.990
Dist. restrs. and SS energy: -48.600 (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: 467
Temperature: 1.150000
Total energy: -320.455559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.455559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.055559 (E_RNA)
where:
Base-Base interactions energy: -186.326
where: short stacking energy: -71.609
Base-Backbone interact. energy: -0.412
local terms energy: -83.318258
where:
bonds (distance) C4'-P energy: -20.406
bonds (distance) P-C4' energy: -20.176
flat angles C4'-P-C4' energy: -14.226
flat angles P-C4'-P energy: -16.329
tors. eta vs tors. theta energy: -12.181
Dist. restrs. and SS energy: -50.400 (S_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: 467
Temperature: 1.200000
Total energy: -297.722821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.722821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.722821 (E_RNA)
where:
Base-Base interactions energy: -166.352
where: short stacking energy: -67.751
Base-Backbone interact. energy: -0.491
local terms energy: -94.879826
where:
bonds (distance) C4'-P energy: -22.028
bonds (distance) P-C4' energy: -19.985
flat angles C4'-P-C4' energy: -20.968
flat angles P-C4'-P energy: -13.991
tors. eta vs tors. theta energy: -17.909
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -283.650514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.650514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.650514 (E_RNA)
where:
Base-Base interactions energy: -162.481
where: short stacking energy: -71.682
Base-Backbone interact. energy: -0.375
local terms energy: -84.794299
where:
bonds (distance) C4'-P energy: -21.087
bonds (distance) P-C4' energy: -16.628
flat angles C4'-P-C4' energy: -18.939
flat angles P-C4'-P energy: -15.771
tors. eta vs tors. theta energy: -12.369
Dist. restrs. and SS energy: -36.000 (S_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: 467
Temperature: 1.300000
Total energy: -245.235205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.235205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.235205 (E_RNA)
where:
Base-Base interactions energy: -135.719
where: short stacking energy: -61.868
Base-Backbone interact. energy: 1.069
local terms energy: -74.585039
where:
bonds (distance) C4'-P energy: -25.481
bonds (distance) P-C4' energy: -12.516
flat angles C4'-P-C4' energy: -13.855
flat angles P-C4'-P energy: -12.537
tors. eta vs tors. theta energy: -10.196
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -253.393042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.393042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.193042 (E_RNA)
where:
Base-Base interactions energy: -141.667
where: short stacking energy: -59.228
Base-Backbone interact. energy: 0.921
local terms energy: -69.447745
where:
bonds (distance) C4'-P energy: -13.150
bonds (distance) P-C4' energy: -16.307
flat angles C4'-P-C4' energy: -19.814
flat angles P-C4'-P energy: -14.247
tors. eta vs tors. theta energy: -5.930
Dist. restrs. and SS energy: -43.200 (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: 5
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -420.870307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.870307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.470307 (E_RNA)
where:
Base-Base interactions energy: -256.813
where: short stacking energy: -101.323
Base-Backbone interact. energy: -3.447
local terms energy: -110.210963
where:
bonds (distance) C4'-P energy: -20.424
bonds (distance) P-C4' energy: -19.283
flat angles C4'-P-C4' energy: -25.388
flat angles P-C4'-P energy: -17.992
tors. eta vs tors. theta energy: -27.123
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -402.499113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.499113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.099113 (E_RNA)
where:
Base-Base interactions energy: -240.584
where: short stacking energy: -97.852
Base-Backbone interact. energy: -0.309
local terms energy: -111.206165
where:
bonds (distance) C4'-P energy: -23.478
bonds (distance) P-C4' energy: -23.982
flat angles C4'-P-C4' energy: -22.576
flat angles P-C4'-P energy: -16.116
tors. eta vs tors. theta energy: -25.054
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -397.866134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.866134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.866134 (E_RNA)
where:
Base-Base interactions energy: -243.372
where: short stacking energy: -98.192
Base-Backbone interact. energy: -0.522
local terms energy: -108.971659
where:
bonds (distance) C4'-P energy: -12.895
bonds (distance) P-C4' energy: -21.924
flat angles C4'-P-C4' energy: -24.969
flat angles P-C4'-P energy: -19.331
tors. eta vs tors. theta energy: -29.853
Dist. restrs. and SS energy: -45.000 (S_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: 468
Temperature: 1.050000
Total energy: -389.071713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.071713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.471713 (E_RNA)
where:
Base-Base interactions energy: -232.792
where: short stacking energy: -92.625
Base-Backbone interact. energy: -0.545
local terms energy: -107.135141
where:
bonds (distance) C4'-P energy: -19.959
bonds (distance) P-C4' energy: -26.029
flat angles C4'-P-C4' energy: -22.078
flat angles P-C4'-P energy: -13.759
tors. eta vs tors. theta energy: -25.310
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -354.570597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.570597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.170597 (E_RNA)
where:
Base-Base interactions energy: -197.845
where: short stacking energy: -67.358
Base-Backbone interact. energy: -1.490
local terms energy: -104.835642
where:
bonds (distance) C4'-P energy: -23.679
bonds (distance) P-C4' energy: -24.927
flat angles C4'-P-C4' energy: -22.921
flat angles P-C4'-P energy: -15.100
tors. eta vs tors. theta energy: -18.208
Dist. restrs. and SS energy: -50.400 (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: 9
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -332.517763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.517763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.117763 (E_RNA)
where:
Base-Base interactions energy: -179.800
where: short stacking energy: -71.860
Base-Backbone interact. energy: 0.040
local terms energy: -102.357429
where:
bonds (distance) C4'-P energy: -26.153
bonds (distance) P-C4' energy: -25.498
flat angles C4'-P-C4' energy: -20.551
flat angles P-C4'-P energy: -15.835
tors. eta vs tors. theta energy: -14.321
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -293.537161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.537161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.537161 (E_RNA)
where:
Base-Base interactions energy: -167.379
where: short stacking energy: -70.376
Base-Backbone interact. energy: -0.113
local terms energy: -90.045877
where:
bonds (distance) C4'-P energy: -17.847
bonds (distance) P-C4' energy: -22.136
flat angles C4'-P-C4' energy: -18.511
flat angles P-C4'-P energy: -13.565
tors. eta vs tors. theta energy: -17.987
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -290.752184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.752184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.552184 (E_RNA)
where:
Base-Base interactions energy: -160.724
where: short stacking energy: -77.222
Base-Backbone interact. energy: 0.268
local terms energy: -96.097099
where:
bonds (distance) C4'-P energy: -22.901
bonds (distance) P-C4' energy: -19.991
flat angles C4'-P-C4' energy: -20.646
flat angles P-C4'-P energy: -16.225
tors. eta vs tors. theta energy: -16.334
Dist. restrs. and SS energy: -34.200 (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: 6
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -259.112731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.112731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.112731 (E_RNA)
where:
Base-Base interactions energy: -140.839
where: short stacking energy: -66.725
Base-Backbone interact. energy: -0.360
local terms energy: -81.914265
where:
bonds (distance) C4'-P energy: -13.189
bonds (distance) P-C4' energy: -23.449
flat angles C4'-P-C4' energy: -20.027
flat angles P-C4'-P energy: -14.640
tors. eta vs tors. theta energy: -10.610
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -239.337976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.337976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.337976 (E_RNA)
where:
Base-Base interactions energy: -128.896
where: short stacking energy: -50.781
Base-Backbone interact. energy: 1.070
local terms energy: -75.512444
where:
bonds (distance) C4'-P energy: -19.458
bonds (distance) P-C4' energy: -20.932
flat angles C4'-P-C4' energy: -11.395
flat angles P-C4'-P energy: -17.387
tors. eta vs tors. theta energy: -6.341
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -423.092349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.092349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.692349 (E_RNA)
where:
Base-Base interactions energy: -255.619
where: short stacking energy: -96.777
Base-Backbone interact. energy: -2.938
local terms energy: -114.134896
where:
bonds (distance) C4'-P energy: -23.563
bonds (distance) P-C4' energy: -25.237
flat angles C4'-P-C4' energy: -22.898
flat angles P-C4'-P energy: -15.169
tors. eta vs tors. theta energy: -27.268
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -407.522728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.522728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.122728 (E_RNA)
where:
Base-Base interactions energy: -257.440
where: short stacking energy: -92.803
Base-Backbone interact. energy: -1.195
local terms energy: -98.488049
where:
bonds (distance) C4'-P energy: -16.275
bonds (distance) P-C4' energy: -19.886
flat angles C4'-P-C4' energy: -19.997
flat angles P-C4'-P energy: -13.045
tors. eta vs tors. theta energy: -29.285
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -399.338452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.338452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.938452 (E_RNA)
where:
Base-Base interactions energy: -240.451
where: short stacking energy: -88.975
Base-Backbone interact. energy: -0.999
local terms energy: -107.488398
where:
bonds (distance) C4'-P energy: -23.562
bonds (distance) P-C4' energy: -19.178
flat angles C4'-P-C4' energy: -24.811
flat angles P-C4'-P energy: -16.161
tors. eta vs tors. theta energy: -23.777
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -399.601251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.601251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.201251 (E_RNA)
where:
Base-Base interactions energy: -238.674
where: short stacking energy: -91.192
Base-Backbone interact. energy: -0.705
local terms energy: -109.822342
where:
bonds (distance) C4'-P energy: -21.684
bonds (distance) P-C4' energy: -23.779
flat angles C4'-P-C4' energy: -24.429
flat angles P-C4'-P energy: -17.391
tors. eta vs tors. theta energy: -22.539
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -389.404657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.404657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.804657 (E_RNA)
where:
Base-Base interactions energy: -234.342
where: short stacking energy: -91.053
Base-Backbone interact. energy: -0.586
local terms energy: -105.875983
where:
bonds (distance) C4'-P energy: -17.633
bonds (distance) P-C4' energy: -25.913
flat angles C4'-P-C4' energy: -22.685
flat angles P-C4'-P energy: -14.336
tors. eta vs tors. theta energy: -25.309
Dist. restrs. and SS energy: -48.600 (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: 3
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -303.276104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.276104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.076104 (E_RNA)
where:
Base-Base interactions energy: -163.778
where: short stacking energy: -66.750
Base-Backbone interact. energy: 1.187
local terms energy: -97.485998
where:
bonds (distance) C4'-P energy: -20.612
bonds (distance) P-C4' energy: -22.527
flat angles C4'-P-C4' energy: -20.460
flat angles P-C4'-P energy: -17.257
tors. eta vs tors. theta energy: -16.629
Dist. restrs. and SS energy: -43.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -345.766537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.766537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.166537 (E_RNA)
where:
Base-Base interactions energy: -206.680
where: short stacking energy: -91.839
Base-Backbone interact. energy: -0.740
local terms energy: -89.746241
where:
bonds (distance) C4'-P energy: -13.541
bonds (distance) P-C4' energy: -22.325
flat angles C4'-P-C4' energy: -17.738
flat angles P-C4'-P energy: -15.159
tors. eta vs tors. theta energy: -20.983
Dist. restrs. and SS energy: -48.600 (S_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: 469
Temperature: 1.250000
Total energy: -259.666552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.666552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.666552 (E_RNA)
where:
Base-Base interactions energy: -137.913
where: short stacking energy: -70.984
Base-Backbone interact. energy: 2.215
local terms energy: -87.969306
where:
bonds (distance) C4'-P energy: -15.591
bonds (distance) P-C4' energy: -20.766
flat angles C4'-P-C4' energy: -20.946
flat angles P-C4'-P energy: -12.921
tors. eta vs tors. theta energy: -17.745
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -269.449734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.449734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.449734 (E_RNA)
where:
Base-Base interactions energy: -149.002
where: short stacking energy: -64.971
Base-Backbone interact. energy: 3.203
local terms energy: -87.650929
where:
bonds (distance) C4'-P energy: -18.857
bonds (distance) P-C4' energy: -22.353
flat angles C4'-P-C4' energy: -20.425
flat angles P-C4'-P energy: -9.859
tors. eta vs tors. theta energy: -16.156
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -229.944758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.944758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.944758 (E_RNA)
where:
Base-Base interactions energy: -117.021
where: short stacking energy: -45.896
Base-Backbone interact. energy: -0.897
local terms energy: -76.026721
where:
bonds (distance) C4'-P energy: -14.874
bonds (distance) P-C4' energy: -22.658
flat angles C4'-P-C4' energy: -14.929
flat angles P-C4'-P energy: -12.709
tors. eta vs tors. theta energy: -10.857
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -429.066435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.066435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.666435 (E_RNA)
where:
Base-Base interactions energy: -263.810
where: short stacking energy: -97.992
Base-Backbone interact. energy: -1.560
local terms energy: -113.296491
where:
bonds (distance) C4'-P energy: -20.679
bonds (distance) P-C4' energy: -24.089
flat angles C4'-P-C4' energy: -26.677
flat angles P-C4'-P energy: -13.956
tors. eta vs tors. theta energy: -27.895
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -410.778928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.778928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.378928 (E_RNA)
where:
Base-Base interactions energy: -256.138
where: short stacking energy: -95.491
Base-Backbone interact. energy: -2.379
local terms energy: -101.862131
where:
bonds (distance) C4'-P energy: -19.007
bonds (distance) P-C4' energy: -17.014
flat angles C4'-P-C4' energy: -21.403
flat angles P-C4'-P energy: -14.726
tors. eta vs tors. theta energy: -29.712
Dist. restrs. and SS energy: -50.400 (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: 470
Temperature: 1.000000
Total energy: -401.802644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.802644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.402644 (E_RNA)
where:
Base-Base interactions energy: -248.366
where: short stacking energy: -87.106
Base-Backbone interact. energy: -0.769
local terms energy: -102.267494
where:
bonds (distance) C4'-P energy: -15.851
bonds (distance) P-C4' energy: -25.186
flat angles C4'-P-C4' energy: -19.920
flat angles P-C4'-P energy: -14.040
tors. eta vs tors. theta energy: -27.270
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -390.157644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.157644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.557644 (E_RNA)
where:
Base-Base interactions energy: -230.034
where: short stacking energy: -94.754
Base-Backbone interact. energy: -0.660
local terms energy: -110.863261
where:
bonds (distance) C4'-P energy: -25.337
bonds (distance) P-C4' energy: -19.105
flat angles C4'-P-C4' energy: -25.744
flat angles P-C4'-P energy: -15.595
tors. eta vs tors. theta energy: -25.081
Dist. restrs. and SS energy: -48.600 (S_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: 470
Temperature: 1.100000
Total energy: -384.848848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.848848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.448848 (E_RNA)
where:
Base-Base interactions energy: -232.943
where: short stacking energy: -84.248
Base-Backbone interact. energy: 0.013
local terms energy: -101.519045
where:
bonds (distance) C4'-P energy: -15.871
bonds (distance) P-C4' energy: -21.920
flat angles C4'-P-C4' energy: -22.500
flat angles P-C4'-P energy: -14.322
tors. eta vs tors. theta energy: -26.907
Dist. restrs. and SS energy: -50.400 (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: 3
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -316.257972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.257972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.257972 (E_RNA)
where:
Base-Base interactions energy: -177.304
where: short stacking energy: -76.907
Base-Backbone interact. energy: -0.149
local terms energy: -102.804537
where:
bonds (distance) C4'-P energy: -20.677
bonds (distance) P-C4' energy: -23.364
flat angles C4'-P-C4' energy: -22.925
flat angles P-C4'-P energy: -15.582
tors. eta vs tors. theta energy: -20.257
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -339.109525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.109525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.709525 (E_RNA)
where:
Base-Base interactions energy: -203.045
where: short stacking energy: -81.189
Base-Backbone interact. energy: 0.563
local terms energy: -86.227246
where:
bonds (distance) C4'-P energy: -11.694
bonds (distance) P-C4' energy: -14.295
flat angles C4'-P-C4' energy: -22.670
flat angles P-C4'-P energy: -14.526
tors. eta vs tors. theta energy: -23.043
Dist. restrs. and SS energy: -50.400 (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: 6
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -291.871428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.871428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.671428 (E_RNA)
where:
Base-Base interactions energy: -161.669
where: short stacking energy: -83.578
Base-Backbone interact. energy: -0.054
local terms energy: -95.949121
where:
bonds (distance) C4'-P energy: -16.635
bonds (distance) P-C4' energy: -24.342
flat angles C4'-P-C4' energy: -22.075
flat angles P-C4'-P energy: -14.489
tors. eta vs tors. theta energy: -18.408
Dist. restrs. and SS energy: -34.200 (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: 4
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -267.681405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.681405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.281405 (E_RNA)
where:
Base-Base interactions energy: -156.224
where: short stacking energy: -78.923
Base-Backbone interact. energy: -0.098
local terms energy: -78.958789
where:
bonds (distance) C4'-P energy: -20.591
bonds (distance) P-C4' energy: -11.239
flat angles C4'-P-C4' energy: -17.901
flat angles P-C4'-P energy: -11.795
tors. eta vs tors. theta energy: -17.434
Dist. restrs. and SS energy: -32.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -234.039925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.039925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.039925 (E_RNA)
where:
Base-Base interactions energy: -118.202
where: short stacking energy: -44.059
Base-Backbone interact. energy: -1.044
local terms energy: -78.793740
where:
bonds (distance) C4'-P energy: -19.092
bonds (distance) P-C4' energy: -23.613
flat angles C4'-P-C4' energy: -21.961
flat angles P-C4'-P energy: -17.076
tors. eta vs tors. theta energy: 2.948
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -421.727276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.727276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.327276 (E_RNA)
where:
Base-Base interactions energy: -258.970
where: short stacking energy: -94.445
Base-Backbone interact. energy: -1.217
local terms energy: -111.140927
where:
bonds (distance) C4'-P energy: -23.556
bonds (distance) P-C4' energy: -23.140
flat angles C4'-P-C4' energy: -21.376
flat angles P-C4'-P energy: -14.965
tors. eta vs tors. theta energy: -28.104
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -405.180337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.180337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.580337 (E_RNA)
where:
Base-Base interactions energy: -247.837
where: short stacking energy: -96.500
Base-Backbone interact. energy: -1.853
local terms energy: -106.890378
where:
bonds (distance) C4'-P energy: -19.842
bonds (distance) P-C4' energy: -23.173
flat angles C4'-P-C4' energy: -19.821
flat angles P-C4'-P energy: -16.274
tors. eta vs tors. theta energy: -27.781
Dist. restrs. and SS energy: -48.600 (S_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: 471
Temperature: 1.000000
Total energy: -401.725208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.725208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.325208 (E_RNA)
where:
Base-Base interactions energy: -246.548
where: short stacking energy: -91.638
Base-Backbone interact. energy: -1.506
local terms energy: -103.271269
where:
bonds (distance) C4'-P energy: -18.952
bonds (distance) P-C4' energy: -25.949
flat angles C4'-P-C4' energy: -17.803
flat angles P-C4'-P energy: -14.425
tors. eta vs tors. theta energy: -26.144
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -401.123229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.123229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.523229 (E_RNA)
where:
Base-Base interactions energy: -239.400
where: short stacking energy: -94.896
Base-Backbone interact. energy: -0.432
local terms energy: -112.691533
where:
bonds (distance) C4'-P energy: -21.856
bonds (distance) P-C4' energy: -23.368
flat angles C4'-P-C4' energy: -20.292
flat angles P-C4'-P energy: -19.878
tors. eta vs tors. theta energy: -27.298
Dist. restrs. and SS energy: -48.600 (S_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: 471
Temperature: 1.100000
Total energy: -382.868528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.868528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.468528 (E_RNA)
where:
Base-Base interactions energy: -233.729
where: short stacking energy: -95.464
Base-Backbone interact. energy: -0.536
local terms energy: -98.203533
where:
bonds (distance) C4'-P energy: -22.392
bonds (distance) P-C4' energy: -18.949
flat angles C4'-P-C4' energy: -23.332
flat angles P-C4'-P energy: -8.303
tors. eta vs tors. theta energy: -25.228
Dist. restrs. and SS energy: -50.400 (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: 9
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -323.293323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.293323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.893323 (E_RNA)
where:
Base-Base interactions energy: -184.493
where: short stacking energy: -74.532
Base-Backbone interact. energy: -0.624
local terms energy: -87.776750
where:
bonds (distance) C4'-P energy: -17.928
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -19.086
flat angles P-C4'-P energy: -15.627
tors. eta vs tors. theta energy: -18.563
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -290.811792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.811792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.811792 (E_RNA)
where:
Base-Base interactions energy: -163.638
where: short stacking energy: -77.512
Base-Backbone interact. energy: -1.202
local terms energy: -89.971560
where:
bonds (distance) C4'-P energy: -18.418
bonds (distance) P-C4' energy: -23.902
flat angles C4'-P-C4' energy: -17.369
flat angles P-C4'-P energy: -15.020
tors. eta vs tors. theta energy: -15.261
Dist. restrs. and SS energy: -36.000 (S_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: 471
Temperature: 1.250000
Total energy: -282.423514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.423514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.223514 (E_RNA)
where:
Base-Base interactions energy: -161.345
where: short stacking energy: -84.923
Base-Backbone interact. energy: -0.104
local terms energy: -86.773719
where:
bonds (distance) C4'-P energy: -24.475
bonds (distance) P-C4' energy: -14.414
flat angles C4'-P-C4' energy: -18.302
flat angles P-C4'-P energy: -10.530
tors. eta vs tors. theta energy: -19.052
Dist. restrs. and SS energy: -34.200 (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: 6
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -274.290446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.290446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.090446 (E_RNA)
where:
Base-Base interactions energy: -154.015
where: short stacking energy: -71.073
Base-Backbone interact. energy: 0.268
local terms energy: -86.343442
where:
bonds (distance) C4'-P energy: -21.938
bonds (distance) P-C4' energy: -17.730
flat angles C4'-P-C4' energy: -18.970
flat angles P-C4'-P energy: -14.915
tors. eta vs tors. theta energy: -12.790
Dist. restrs. and SS energy: -34.200 (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: 2
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -238.630893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.630893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.630893 (E_RNA)
where:
Base-Base interactions energy: -123.878
where: short stacking energy: -57.847
Base-Backbone interact. energy: -0.339
local terms energy: -78.413230
where:
bonds (distance) C4'-P energy: -16.983
bonds (distance) P-C4' energy: -20.989
flat angles C4'-P-C4' energy: -22.180
flat angles P-C4'-P energy: -8.415
tors. eta vs tors. theta energy: -9.847
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -422.636653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.636653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.236653 (E_RNA)
where:
Base-Base interactions energy: -253.652
where: short stacking energy: -94.791
Base-Backbone interact. energy: -0.873
local terms energy: -117.711190
where:
bonds (distance) C4'-P energy: -22.068
bonds (distance) P-C4' energy: -25.123
flat angles C4'-P-C4' energy: -24.751
flat angles P-C4'-P energy: -17.593
tors. eta vs tors. theta energy: -28.176
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -404.471878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.471878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.871878 (E_RNA)
where:
Base-Base interactions energy: -252.529
where: short stacking energy: -93.656
Base-Backbone interact. energy: 1.656
local terms energy: -104.998924
where:
bonds (distance) C4'-P energy: -20.098
bonds (distance) P-C4' energy: -22.838
flat angles C4'-P-C4' energy: -20.407
flat angles P-C4'-P energy: -19.500
tors. eta vs tors. theta energy: -22.156
Dist. restrs. and SS energy: -48.600 (S_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: 472
Temperature: 1.000000
Total energy: -398.982967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.982967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.582967 (E_RNA)
where:
Base-Base interactions energy: -245.857
where: short stacking energy: -87.923
Base-Backbone interact. energy: -0.333
local terms energy: -102.393562
where:
bonds (distance) C4'-P energy: -15.257
bonds (distance) P-C4' energy: -23.813
flat angles C4'-P-C4' energy: -21.025
flat angles P-C4'-P energy: -17.504
tors. eta vs tors. theta energy: -24.795
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -389.375839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.375839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.975839 (E_RNA)
where:
Base-Base interactions energy: -236.880
where: short stacking energy: -90.359
Base-Backbone interact. energy: -0.611
local terms energy: -101.485040
where:
bonds (distance) C4'-P energy: -18.875
bonds (distance) P-C4' energy: -23.754
flat angles C4'-P-C4' energy: -23.744
flat angles P-C4'-P energy: -9.064
tors. eta vs tors. theta energy: -26.049
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -366.850595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.850595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.250595 (E_RNA)
where:
Base-Base interactions energy: -218.733
where: short stacking energy: -93.438
Base-Backbone interact. energy: -1.293
local terms energy: -98.224473
where:
bonds (distance) C4'-P energy: -16.774
bonds (distance) P-C4' energy: -18.679
flat angles C4'-P-C4' energy: -21.316
flat angles P-C4'-P energy: -15.941
tors. eta vs tors. theta energy: -25.513
Dist. restrs. and SS energy: -48.600 (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: 9
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -319.716505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.716505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.316505 (E_RNA)
where:
Base-Base interactions energy: -184.996
where: short stacking energy: -72.377
Base-Backbone interact. energy: -0.215
local terms energy: -84.105951
where:
bonds (distance) C4'-P energy: -23.749
bonds (distance) P-C4' energy: -19.065
flat angles C4'-P-C4' energy: -19.782
flat angles P-C4'-P energy: -14.179
tors. eta vs tors. theta energy: -7.331
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -284.412582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.412582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.212582 (E_RNA)
where:
Base-Base interactions energy: -157.165
where: short stacking energy: -65.410
Base-Backbone interact. energy: -0.321
local terms energy: -92.727224
where:
bonds (distance) C4'-P energy: -18.836
bonds (distance) P-C4' energy: -23.410
flat angles C4'-P-C4' energy: -20.052
flat angles P-C4'-P energy: -14.612
tors. eta vs tors. theta energy: -15.817
Dist. restrs. and SS energy: -34.200 (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: 3
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -285.293316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.293316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.093316 (E_RNA)
where:
Base-Base interactions energy: -159.907
where: short stacking energy: -56.869
Base-Backbone interact. energy: -0.167
local terms energy: -82.019082
where:
bonds (distance) C4'-P energy: -17.524
bonds (distance) P-C4' energy: -26.222
flat angles C4'-P-C4' energy: -15.175
flat angles P-C4'-P energy: -9.870
tors. eta vs tors. theta energy: -13.228
Dist. restrs. and SS energy: -43.200 (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: 2
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -247.210723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.210723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.210723 (E_RNA)
where:
Base-Base interactions energy: -134.638
where: short stacking energy: -61.583
Base-Backbone interact. energy: -1.180
local terms energy: -75.392279
where:
bonds (distance) C4'-P energy: -22.394
bonds (distance) P-C4' energy: -12.820
flat angles C4'-P-C4' energy: -20.500
flat angles P-C4'-P energy: -10.683
tors. eta vs tors. theta energy: -8.996
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -263.834169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.834169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.834169 (E_RNA)
where:
Base-Base interactions energy: -147.653
where: short stacking energy: -61.988
Base-Backbone interact. energy: -0.316
local terms energy: -79.865156
where:
bonds (distance) C4'-P energy: -17.200
bonds (distance) P-C4' energy: -12.851
flat angles C4'-P-C4' energy: -23.313
flat angles P-C4'-P energy: -15.856
tors. eta vs tors. theta energy: -10.645
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -429.650873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.650873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.250873 (E_RNA)
where:
Base-Base interactions energy: -271.530
where: short stacking energy: -103.777
Base-Backbone interact. energy: -0.659
local terms energy: -107.061616
where:
bonds (distance) C4'-P energy: -18.273
bonds (distance) P-C4' energy: -22.036
flat angles C4'-P-C4' energy: -25.742
flat angles P-C4'-P energy: -13.239
tors. eta vs tors. theta energy: -27.772
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -416.097179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.097179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.697179 (E_RNA)
where:
Base-Base interactions energy: -250.526
where: short stacking energy: -104.091
Base-Backbone interact. energy: 0.272
local terms energy: -115.442752
where:
bonds (distance) C4'-P energy: -26.598
bonds (distance) P-C4' energy: -16.438
flat angles C4'-P-C4' energy: -25.926
flat angles P-C4'-P energy: -15.576
tors. eta vs tors. theta energy: -30.905
Dist. restrs. and SS energy: -50.400 (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: 473
Temperature: 1.000000
Total energy: -397.222733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.222733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.822733 (E_RNA)
where:
Base-Base interactions energy: -240.810
where: short stacking energy: -94.913
Base-Backbone interact. energy: -0.647
local terms energy: -105.365613
where:
bonds (distance) C4'-P energy: -21.369
bonds (distance) P-C4' energy: -22.659
flat angles C4'-P-C4' energy: -20.417
flat angles P-C4'-P energy: -15.506
tors. eta vs tors. theta energy: -25.414
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -386.863876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.863876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.863876 (E_RNA)
where:
Base-Base interactions energy: -231.455
where: short stacking energy: -88.946
Base-Backbone interact. energy: -0.906
local terms energy: -109.502709
where:
bonds (distance) C4'-P energy: -21.056
bonds (distance) P-C4' energy: -23.049
flat angles C4'-P-C4' energy: -22.403
flat angles P-C4'-P energy: -14.715
tors. eta vs tors. theta energy: -28.279
Dist. restrs. and SS energy: -45.000 (S_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: 473
Temperature: 1.100000
Total energy: -377.915805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.915805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.315805 (E_RNA)
where:
Base-Base interactions energy: -234.391
where: short stacking energy: -90.634
Base-Backbone interact. energy: -0.317
local terms energy: -94.607285
where:
bonds (distance) C4'-P energy: -17.735
bonds (distance) P-C4' energy: -16.255
flat angles C4'-P-C4' energy: -18.883
flat angles P-C4'-P energy: -13.528
tors. eta vs tors. theta energy: -28.207
Dist. restrs. and SS energy: -48.600 (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: 4
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -285.552778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.552778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.552778 (E_RNA)
where:
Base-Base interactions energy: -159.874
where: short stacking energy: -65.885
Base-Backbone interact. energy: -0.036
local terms energy: -89.642316
where:
bonds (distance) C4'-P energy: -15.432
bonds (distance) P-C4' energy: -23.622
flat angles C4'-P-C4' energy: -22.793
flat angles P-C4'-P energy: -13.639
tors. eta vs tors. theta energy: -14.157
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -329.242108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.242108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.042108 (E_RNA)
where:
Base-Base interactions energy: -192.221
where: short stacking energy: -71.007
Base-Backbone interact. energy: -0.367
local terms energy: -93.453727
where:
bonds (distance) C4'-P energy: -17.358
bonds (distance) P-C4' energy: -24.044
flat angles C4'-P-C4' energy: -19.415
flat angles P-C4'-P energy: -16.535
tors. eta vs tors. theta energy: -16.102
Dist. restrs. and SS energy: -43.200 (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: 2
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -272.438991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.438991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.438991 (E_RNA)
where:
Base-Base interactions energy: -143.128
where: short stacking energy: -71.632
Base-Backbone interact. energy: -0.141
local terms energy: -93.170567
where:
bonds (distance) C4'-P energy: -19.261
bonds (distance) P-C4' energy: -21.513
flat angles C4'-P-C4' energy: -23.747
flat angles P-C4'-P energy: -13.958
tors. eta vs tors. theta energy: -14.691
Dist. restrs. and SS energy: -36.000 (S_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: 473
Temperature: 1.300000
Total energy: -279.381965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.381965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.781965 (E_RNA)
where:
Base-Base interactions energy: -150.002
where: short stacking energy: -51.394
Base-Backbone interact. energy: -0.703
local terms energy: -89.077136
where:
bonds (distance) C4'-P energy: -16.984
bonds (distance) P-C4' energy: -22.985
flat angles C4'-P-C4' energy: -22.177
flat angles P-C4'-P energy: -18.099
tors. eta vs tors. theta energy: -8.832
Dist. restrs. and SS energy: -39.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -272.616581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.616581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.416581 (E_RNA)
where:
Base-Base interactions energy: -147.247
where: short stacking energy: -69.810
Base-Backbone interact. energy: 0.926
local terms energy: -92.095727
where:
bonds (distance) C4'-P energy: -21.465
bonds (distance) P-C4' energy: -22.748
flat angles C4'-P-C4' energy: -21.489
flat angles P-C4'-P energy: -11.252
tors. eta vs tors. theta energy: -15.141
Dist. restrs. and SS energy: -34.200 (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: 5
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -416.667394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.667394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.267394 (E_RNA)
where:
Base-Base interactions energy: -258.663
where: short stacking energy: -96.398
Base-Backbone interact. energy: -1.487
local terms energy: -106.117290
where:
bonds (distance) C4'-P energy: -20.504
bonds (distance) P-C4' energy: -24.023
flat angles C4'-P-C4' energy: -20.799
flat angles P-C4'-P energy: -12.708
tors. eta vs tors. theta energy: -28.083
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -414.011560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.011560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.411560 (E_RNA)
where:
Base-Base interactions energy: -246.044
where: short stacking energy: -90.424
Base-Backbone interact. energy: -1.123
local terms energy: -118.244048
where:
bonds (distance) C4'-P energy: -28.026
bonds (distance) P-C4' energy: -21.805
flat angles C4'-P-C4' energy: -25.904
flat angles P-C4'-P energy: -16.204
tors. eta vs tors. theta energy: -26.305
Dist. restrs. and SS energy: -48.600 (S_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: 474
Temperature: 1.000000
Total energy: -400.076470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.076470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.676470 (E_RNA)
where:
Base-Base interactions energy: -237.404
where: short stacking energy: -97.248
Base-Backbone interact. energy: 0.367
local terms energy: -112.640174
where:
bonds (distance) C4'-P energy: -21.344
bonds (distance) P-C4' energy: -19.413
flat angles C4'-P-C4' energy: -25.329
flat angles P-C4'-P energy: -17.555
tors. eta vs tors. theta energy: -28.999
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -389.324256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.324256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.924256 (E_RNA)
where:
Base-Base interactions energy: -241.051
where: short stacking energy: -90.485
Base-Backbone interact. energy: 0.426
local terms energy: -98.298651
where:
bonds (distance) C4'-P energy: -21.294
bonds (distance) P-C4' energy: -19.675
flat angles C4'-P-C4' energy: -22.690
flat angles P-C4'-P energy: -16.121
tors. eta vs tors. theta energy: -18.519
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -382.150037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.150037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.750037 (E_RNA)
where:
Base-Base interactions energy: -236.085
where: short stacking energy: -78.160
Base-Backbone interact. energy: -0.896
local terms energy: -94.768794
where:
bonds (distance) C4'-P energy: -11.607
bonds (distance) P-C4' energy: -20.428
flat angles C4'-P-C4' energy: -23.862
flat angles P-C4'-P energy: -16.435
tors. eta vs tors. theta energy: -22.437
Dist. restrs. and SS energy: -50.400 (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: 4
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -298.250948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.250948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.250948 (E_RNA)
where:
Base-Base interactions energy: -164.840
where: short stacking energy: -86.472
Base-Backbone interact. energy: -0.115
local terms energy: -97.295647
where:
bonds (distance) C4'-P energy: -23.044
bonds (distance) P-C4' energy: -23.253
flat angles C4'-P-C4' energy: -21.500
flat angles P-C4'-P energy: -11.731
tors. eta vs tors. theta energy: -17.767
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -322.944725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.944725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.544725 (E_RNA)
where:
Base-Base interactions energy: -179.083
where: short stacking energy: -62.874
Base-Backbone interact. energy: -0.895
local terms energy: -92.567025
where:
bonds (distance) C4'-P energy: -17.850
bonds (distance) P-C4' energy: -20.657
flat angles C4'-P-C4' energy: -23.055
flat angles P-C4'-P energy: -18.125
tors. eta vs tors. theta energy: -12.880
Dist. restrs. and SS energy: -50.400 (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: 2
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -271.281948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.281948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.281948 (E_RNA)
where:
Base-Base interactions energy: -157.810
where: short stacking energy: -74.538
Base-Backbone interact. energy: -0.374
local terms energy: -77.097415
where:
bonds (distance) C4'-P energy: -14.311
bonds (distance) P-C4' energy: -20.567
flat angles C4'-P-C4' energy: -20.143
flat angles P-C4'-P energy: -13.967
tors. eta vs tors. theta energy: -8.109
Dist. restrs. and SS energy: -36.000 (S_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: 474
Temperature: 1.300000
Total energy: -303.527159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.527159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.327159 (E_RNA)
where:
Base-Base interactions energy: -168.306
where: short stacking energy: -68.796
Base-Backbone interact. energy: -0.891
local terms energy: -91.130290
where:
bonds (distance) C4'-P energy: -19.873
bonds (distance) P-C4' energy: -19.747
flat angles C4'-P-C4' energy: -19.507
flat angles P-C4'-P energy: -15.293
tors. eta vs tors. theta energy: -16.710
Dist. restrs. and SS energy: -43.200 (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: 6
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -274.352073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.352073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.952073 (E_RNA)
where:
Base-Base interactions energy: -151.326
where: short stacking energy: -63.490
Base-Backbone interact. energy: 0.061
local terms energy: -90.686738
where:
bonds (distance) C4'-P energy: -22.958
bonds (distance) P-C4' energy: -21.936
flat angles C4'-P-C4' energy: -21.775
flat angles P-C4'-P energy: -11.051
tors. eta vs tors. theta energy: -12.966
Dist. restrs. and SS energy: -32.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -421.074091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.074091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.674091 (E_RNA)
where:
Base-Base interactions energy: -260.968
where: short stacking energy: -95.132
Base-Backbone interact. energy: -1.673
local terms energy: -108.033323
where:
bonds (distance) C4'-P energy: -20.919
bonds (distance) P-C4' energy: -22.067
flat angles C4'-P-C4' energy: -22.945
flat angles P-C4'-P energy: -15.040
tors. eta vs tors. theta energy: -27.062
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -416.580903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.580903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.780903 (E_RNA)
where:
Base-Base interactions energy: -256.971
where: short stacking energy: -95.034
Base-Backbone interact. energy: -0.949
local terms energy: -111.861076
where:
bonds (distance) C4'-P energy: -22.073
bonds (distance) P-C4' energy: -21.003
flat angles C4'-P-C4' energy: -24.770
flat angles P-C4'-P energy: -16.533
tors. eta vs tors. theta energy: -27.483
Dist. restrs. and SS energy: -46.800 (S_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: 475
Temperature: 1.000000
Total energy: -403.163010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.163010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.763010 (E_RNA)
where:
Base-Base interactions energy: -243.059
where: short stacking energy: -88.993
Base-Backbone interact. energy: -0.880
local terms energy: -108.824496
where:
bonds (distance) C4'-P energy: -19.635
bonds (distance) P-C4' energy: -20.380
flat angles C4'-P-C4' energy: -24.238
flat angles P-C4'-P energy: -16.221
tors. eta vs tors. theta energy: -28.350
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -392.636731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.636731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.236731 (E_RNA)
where:
Base-Base interactions energy: -236.788
where: short stacking energy: -90.646
Base-Backbone interact. energy: -0.273
local terms energy: -105.175297
where:
bonds (distance) C4'-P energy: -20.633
bonds (distance) P-C4' energy: -18.253
flat angles C4'-P-C4' energy: -22.424
flat angles P-C4'-P energy: -15.798
tors. eta vs tors. theta energy: -28.068
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -381.126770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.126770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.726770 (E_RNA)
where:
Base-Base interactions energy: -218.655
where: short stacking energy: -83.878
Base-Backbone interact. energy: -1.349
local terms energy: -110.722474
where:
bonds (distance) C4'-P energy: -19.640
bonds (distance) P-C4' energy: -26.055
flat angles C4'-P-C4' energy: -24.434
flat angles P-C4'-P energy: -15.950
tors. eta vs tors. theta energy: -24.644
Dist. restrs. and SS energy: -50.400 (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: 9
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -320.234360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.234360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.634360 (E_RNA)
where:
Base-Base interactions energy: -175.301
where: short stacking energy: -70.708
Base-Backbone interact. energy: -0.351
local terms energy: -95.981688
where:
bonds (distance) C4'-P energy: -23.048
bonds (distance) P-C4' energy: -21.826
flat angles C4'-P-C4' energy: -22.381
flat angles P-C4'-P energy: -11.536
tors. eta vs tors. theta energy: -17.190
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. 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: -279.727771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.727771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.727771 (E_RNA)
where:
Base-Base interactions energy: -153.252
where: short stacking energy: -58.333
Base-Backbone interact. energy: -0.603
local terms energy: -89.873086
where:
bonds (distance) C4'-P energy: -19.828
bonds (distance) P-C4' energy: -20.674
flat angles C4'-P-C4' energy: -21.980
flat angles P-C4'-P energy: -13.920
tors. eta vs tors. theta energy: -13.470
Dist. restrs. and SS energy: -36.000 (S_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: 475
Temperature: 1.250000
Total energy: -270.790566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.790566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.990566 (E_RNA)
where:
Base-Base interactions energy: -151.502
where: short stacking energy: -63.838
Base-Backbone interact. energy: -0.683
local terms energy: -80.805840
where:
bonds (distance) C4'-P energy: -16.856
bonds (distance) P-C4' energy: -15.140
flat angles C4'-P-C4' energy: -18.450
flat angles P-C4'-P energy: -18.575
tors. eta vs tors. theta energy: -11.785
Dist. restrs. and SS energy: -37.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -277.624062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.624062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.624062 (E_RNA)
where:
Base-Base interactions energy: -155.028
where: short stacking energy: -62.797
Base-Backbone interact. energy: -0.108
local terms energy: -86.488209
where:
bonds (distance) C4'-P energy: -19.693
bonds (distance) P-C4' energy: -20.267
flat angles C4'-P-C4' energy: -21.865
flat angles P-C4'-P energy: -9.900
tors. eta vs tors. theta energy: -14.764
Dist. restrs. and SS energy: -36.000 (S_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: 475
Temperature: 1.350000
Total energy: -287.443830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.443830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.243830 (E_RNA)
where:
Base-Base interactions energy: -160.744
where: short stacking energy: -63.763
Base-Backbone interact. energy: -0.403
local terms energy: -92.096668
where:
bonds (distance) C4'-P energy: -22.006
bonds (distance) P-C4' energy: -23.444
flat angles C4'-P-C4' energy: -14.565
flat angles P-C4'-P energy: -16.749
tors. eta vs tors. theta energy: -15.333
Dist. restrs. and SS energy: -34.200 (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: 5
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -417.354947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.354947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.954947 (E_RNA)
where:
Base-Base interactions energy: -253.308
where: short stacking energy: -98.622
Base-Backbone interact. energy: -1.562
local terms energy: -112.084678
where:
bonds (distance) C4'-P energy: -22.434
bonds (distance) P-C4' energy: -24.151
flat angles C4'-P-C4' energy: -19.858
flat angles P-C4'-P energy: -14.679
tors. eta vs tors. theta energy: -30.963
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -418.108876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.108876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.708876 (E_RNA)
where:
Base-Base interactions energy: -246.860
where: short stacking energy: -96.272
Base-Backbone interact. energy: -1.346
local terms energy: -119.502980
where:
bonds (distance) C4'-P energy: -23.177
bonds (distance) P-C4' energy: -23.197
flat angles C4'-P-C4' energy: -25.709
flat angles P-C4'-P energy: -17.286
tors. eta vs tors. theta energy: -30.135
Dist. restrs. and SS energy: -50.400 (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: 476
Temperature: 1.000000
Total energy: -403.795292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.795292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.395292 (E_RNA)
where:
Base-Base interactions energy: -249.235
where: short stacking energy: -92.631
Base-Backbone interact. energy: -0.841
local terms energy: -103.318552
where:
bonds (distance) C4'-P energy: -20.632
bonds (distance) P-C4' energy: -23.268
flat angles C4'-P-C4' energy: -20.566
flat angles P-C4'-P energy: -11.762
tors. eta vs tors. theta energy: -27.091
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -405.824885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.824885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.224885 (E_RNA)
where:
Base-Base interactions energy: -242.465
where: short stacking energy: -99.101
Base-Backbone interact. energy: -0.573
local terms energy: -114.186527
where:
bonds (distance) C4'-P energy: -19.563
bonds (distance) P-C4' energy: -22.878
flat angles C4'-P-C4' energy: -27.820
flat angles P-C4'-P energy: -13.979
tors. eta vs tors. theta energy: -29.947
Dist. restrs. and SS energy: -48.600 (S_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: 476
Temperature: 1.100000
Total energy: -394.557988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.557988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.157988 (E_RNA)
where:
Base-Base interactions energy: -248.480
where: short stacking energy: -88.336
Base-Backbone interact. energy: -0.913
local terms energy: -94.764363
where:
bonds (distance) C4'-P energy: -22.645
bonds (distance) P-C4' energy: -23.677
flat angles C4'-P-C4' energy: -22.642
flat angles P-C4'-P energy: -10.595
tors. eta vs tors. theta energy: -15.206
Dist. restrs. and SS energy: -50.400 (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: 9
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -328.352582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.352582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.952582 (E_RNA)
where:
Base-Base interactions energy: -183.191
where: short stacking energy: -77.612
Base-Backbone interact. energy: 0.058
local terms energy: -94.819164
where:
bonds (distance) C4'-P energy: -19.876
bonds (distance) P-C4' energy: -22.747
flat angles C4'-P-C4' energy: -18.434
flat angles P-C4'-P energy: -16.937
tors. eta vs tors. theta energy: -16.825
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. 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: -293.409203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.409203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.209203 (E_RNA)
where:
Base-Base interactions energy: -174.541
where: short stacking energy: -81.642
Base-Backbone interact. energy: -0.582
local terms energy: -84.086010
where:
bonds (distance) C4'-P energy: -22.232
bonds (distance) P-C4' energy: -14.555
flat angles C4'-P-C4' energy: -19.538
flat angles P-C4'-P energy: -13.313
tors. eta vs tors. theta energy: -14.449
Dist. restrs. and SS energy: -34.200 (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: 3
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -276.857842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.857842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.857842 (E_RNA)
where:
Base-Base interactions energy: -156.513
where: short stacking energy: -68.048
Base-Backbone interact. energy: -0.038
local terms energy: -84.307056
where:
bonds (distance) C4'-P energy: -23.668
bonds (distance) P-C4' energy: -21.649
flat angles C4'-P-C4' energy: -14.597
flat angles P-C4'-P energy: -10.808
tors. eta vs tors. theta energy: -13.585
Dist. restrs. and SS energy: -36.000 (S_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: 476
Temperature: 1.300000
Total energy: -276.717627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.717627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.717627 (E_RNA)
where:
Base-Base interactions energy: -157.744
where: short stacking energy: -68.255
Base-Backbone interact. energy: -0.256
local terms energy: -82.717286
where:
bonds (distance) C4'-P energy: -18.198
bonds (distance) P-C4' energy: -16.344
flat angles C4'-P-C4' energy: -19.732
flat angles P-C4'-P energy: -13.059
tors. eta vs tors. theta energy: -15.384
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -256.986417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.986417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.786417 (E_RNA)
where:
Base-Base interactions energy: -127.531
where: short stacking energy: -57.801
Base-Backbone interact. energy: -0.131
local terms energy: -95.124653
where:
bonds (distance) C4'-P energy: -21.949
bonds (distance) P-C4' energy: -21.665
flat angles C4'-P-C4' energy: -17.942
flat angles P-C4'-P energy: -16.199
tors. eta vs tors. theta energy: -17.370
Dist. restrs. and SS energy: -34.200 (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: 5
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -424.582170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.582170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.582170 (E_RNA)
where:
Base-Base interactions energy: -262.473
where: short stacking energy: -104.070
Base-Backbone interact. energy: -0.202
local terms energy: -116.906886
where:
bonds (distance) C4'-P energy: -23.774
bonds (distance) P-C4' energy: -20.364
flat angles C4'-P-C4' energy: -23.772
flat angles P-C4'-P energy: -16.808
tors. eta vs tors. theta energy: -32.189
Dist. restrs. and SS energy: -45.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -412.005469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.005469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.605469 (E_RNA)
where:
Base-Base interactions energy: -251.134
where: short stacking energy: -90.963
Base-Backbone interact. energy: -0.754
local terms energy: -109.716882
where:
bonds (distance) C4'-P energy: -20.002
bonds (distance) P-C4' energy: -20.130
flat angles C4'-P-C4' energy: -22.512
flat angles P-C4'-P energy: -16.871
tors. eta vs tors. theta energy: -30.202
Dist. restrs. and SS energy: -50.400 (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: 477
Temperature: 1.000000
Total energy: -396.460330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.460330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.060330 (E_RNA)
where:
Base-Base interactions energy: -241.359
where: short stacking energy: -101.555
Base-Backbone interact. energy: 0.008
local terms energy: -104.709710
where:
bonds (distance) C4'-P energy: -23.477
bonds (distance) P-C4' energy: -17.175
flat angles C4'-P-C4' energy: -20.909
flat angles P-C4'-P energy: -16.491
tors. eta vs tors. theta energy: -26.658
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -370.558222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.558222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.958222 (E_RNA)
where:
Base-Base interactions energy: -219.649
where: short stacking energy: -95.479
Base-Backbone interact. energy: 0.349
local terms energy: -102.658512
where:
bonds (distance) C4'-P energy: -20.015
bonds (distance) P-C4' energy: -25.367
flat angles C4'-P-C4' energy: -18.514
flat angles P-C4'-P energy: -13.632
tors. eta vs tors. theta energy: -25.131
Dist. restrs. and SS energy: -48.600 (S_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: 477
Temperature: 1.100000
Total energy: -382.380894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.380894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.980894 (E_RNA)
where:
Base-Base interactions energy: -231.498
where: short stacking energy: -84.899
Base-Backbone interact. energy: -0.559
local terms energy: -99.924130
where:
bonds (distance) C4'-P energy: -21.035
bonds (distance) P-C4' energy: -25.124
flat angles C4'-P-C4' energy: -18.983
flat angles P-C4'-P energy: -12.277
tors. eta vs tors. theta energy: -22.506
Dist. restrs. and SS energy: -50.400 (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: 4
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -310.197752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.197752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.197752 (E_RNA)
where:
Base-Base interactions energy: -173.149
where: short stacking energy: -70.807
Base-Backbone interact. energy: -0.354
local terms energy: -100.694450
where:
bonds (distance) C4'-P energy: -21.752
bonds (distance) P-C4' energy: -24.836
flat angles C4'-P-C4' energy: -20.723
flat angles P-C4'-P energy: -13.589
tors. eta vs tors. theta energy: -19.794
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -322.212144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.212144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.812144 (E_RNA)
where:
Base-Base interactions energy: -184.743
where: short stacking energy: -64.614
Base-Backbone interact. energy: -1.519
local terms energy: -85.550157
where:
bonds (distance) C4'-P energy: -19.194
bonds (distance) P-C4' energy: -23.328
flat angles C4'-P-C4' energy: -18.773
flat angles P-C4'-P energy: -12.967
tors. eta vs tors. theta energy: -11.288
Dist. restrs. and SS energy: -50.400 (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: 6
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -280.035164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.035164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.035164 (E_RNA)
where:
Base-Base interactions energy: -146.438
where: short stacking energy: -68.073
Base-Backbone interact. energy: -0.161
local terms energy: -97.435808
where:
bonds (distance) C4'-P energy: -19.779
bonds (distance) P-C4' energy: -25.082
flat angles C4'-P-C4' energy: -21.186
flat angles P-C4'-P energy: -8.629
tors. eta vs tors. theta energy: -22.760
Dist. restrs. and SS energy: -36.000 (S_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: 477
Temperature: 1.300000
Total energy: -278.343778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.343778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.343778 (E_RNA)
where:
Base-Base interactions energy: -152.833
where: short stacking energy: -61.336
Base-Backbone interact. energy: -0.245
local terms energy: -89.265529
where:
bonds (distance) C4'-P energy: -19.256
bonds (distance) P-C4' energy: -19.794
flat angles C4'-P-C4' energy: -24.632
flat angles P-C4'-P energy: -14.828
tors. eta vs tors. theta energy: -10.757
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -254.154221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.154221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.954221 (E_RNA)
where:
Base-Base interactions energy: -143.836
where: short stacking energy: -62.536
Base-Backbone interact. energy: 1.455
local terms energy: -77.573501
where:
bonds (distance) C4'-P energy: -18.879
bonds (distance) P-C4' energy: -20.078
flat angles C4'-P-C4' energy: -18.202
flat angles P-C4'-P energy: -11.937
tors. eta vs tors. theta energy: -8.477
Dist. restrs. and SS energy: -34.200 (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: 478
Temperature: 0.900000
Total energy: -416.487274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.487274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.087274 (E_RNA)
where:
Base-Base interactions energy: -260.183
where: short stacking energy: -101.937
Base-Backbone interact. energy: -0.706
local terms energy: -105.198147
where:
bonds (distance) C4'-P energy: -23.418
bonds (distance) P-C4' energy: -14.113
flat angles C4'-P-C4' energy: -20.451
flat angles P-C4'-P energy: -19.022
tors. eta vs tors. theta energy: -28.194
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -421.356092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.356092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.956092 (E_RNA)
where:
Base-Base interactions energy: -263.574
where: short stacking energy: -96.125
Base-Backbone interact. energy: -0.629
local terms energy: -106.753256
where:
bonds (distance) C4'-P energy: -23.634
bonds (distance) P-C4' energy: -14.945
flat angles C4'-P-C4' energy: -24.717
flat angles P-C4'-P energy: -16.709
tors. eta vs tors. theta energy: -26.747
Dist. restrs. and SS energy: -50.400 (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: 478
Temperature: 1.000000
Total energy: -392.570914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.570914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.170914 (E_RNA)
where:
Base-Base interactions energy: -238.225
where: short stacking energy: -90.782
Base-Backbone interact. energy: -0.253
local terms energy: -103.692616
where:
bonds (distance) C4'-P energy: -20.579
bonds (distance) P-C4' energy: -22.869
flat angles C4'-P-C4' energy: -20.560
flat angles P-C4'-P energy: -16.097
tors. eta vs tors. theta energy: -23.588
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -386.764856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.764856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.364856 (E_RNA)
where:
Base-Base interactions energy: -229.718
where: short stacking energy: -90.380
Base-Backbone interact. energy: -0.784
local terms energy: -105.862720
where:
bonds (distance) C4'-P energy: -22.917
bonds (distance) P-C4' energy: -22.320
flat angles C4'-P-C4' energy: -24.184
flat angles P-C4'-P energy: -11.059
tors. eta vs tors. theta energy: -25.383
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -393.780617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.780617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.180617 (E_RNA)
where:
Base-Base interactions energy: -249.661
where: short stacking energy: -97.334
Base-Backbone interact. energy: 0.992
local terms energy: -96.512031
where:
bonds (distance) C4'-P energy: -20.040
bonds (distance) P-C4' energy: -16.031
flat angles C4'-P-C4' energy: -19.674
flat angles P-C4'-P energy: -14.735
tors. eta vs tors. theta energy: -26.032
Dist. restrs. and SS energy: -48.600 (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: 4
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -283.548729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.548729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.348729 (E_RNA)
where:
Base-Base interactions energy: -154.950
where: short stacking energy: -73.302
Base-Backbone interact. energy: -0.747
local terms energy: -93.651976
where:
bonds (distance) C4'-P energy: -21.916
bonds (distance) P-C4' energy: -24.173
flat angles C4'-P-C4' energy: -20.064
flat angles P-C4'-P energy: -17.382
tors. eta vs tors. theta energy: -10.117
Dist. restrs. and SS energy: -34.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -329.175136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.175136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.775136 (E_RNA)
where:
Base-Base interactions energy: -200.434
where: short stacking energy: -70.003
Base-Backbone interact. energy: -1.020
local terms energy: -77.320638
where:
bonds (distance) C4'-P energy: -22.322
bonds (distance) P-C4' energy: -18.025
flat angles C4'-P-C4' energy: -18.955
flat angles P-C4'-P energy: -6.698
tors. eta vs tors. theta energy: -11.320
Dist. restrs. and SS energy: -50.400 (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: 6
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -278.167625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.167625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.767625 (E_RNA)
where:
Base-Base interactions energy: -159.429
where: short stacking energy: -71.670
Base-Backbone interact. energy: -0.386
local terms energy: -85.953369
where:
bonds (distance) C4'-P energy: -20.538
bonds (distance) P-C4' energy: -17.394
flat angles C4'-P-C4' energy: -20.993
flat angles P-C4'-P energy: -10.957
tors. eta vs tors. theta energy: -16.072
Dist. restrs. and SS energy: -32.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -291.456548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.456548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.456548 (E_RNA)
where:
Base-Base interactions energy: -166.314
where: short stacking energy: -71.361
Base-Backbone interact. energy: -1.648
local terms energy: -87.494371
where:
bonds (distance) C4'-P energy: -13.071
bonds (distance) P-C4' energy: -22.950
flat angles C4'-P-C4' energy: -20.285
flat angles P-C4'-P energy: -14.013
tors. eta vs tors. theta energy: -17.175
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -237.588688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.588688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.588688 (E_RNA)
where:
Base-Base interactions energy: -119.634
where: short stacking energy: -53.177
Base-Backbone interact. energy: -0.162
local terms energy: -81.792134
where:
bonds (distance) C4'-P energy: -14.678
bonds (distance) P-C4' energy: -22.066
flat angles C4'-P-C4' energy: -15.660
flat angles P-C4'-P energy: -18.184
tors. eta vs tors. theta energy: -11.205
Dist. restrs. and SS energy: -36.000 (S_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: 479
Temperature: 0.900000
Total energy: -416.481081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.481081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.881081 (E_RNA)
where:
Base-Base interactions energy: -261.654
where: short stacking energy: -104.019
Base-Backbone interact. energy: -0.651
local terms energy: -105.576515
where:
bonds (distance) C4'-P energy: -20.409
bonds (distance) P-C4' energy: -17.888
flat angles C4'-P-C4' energy: -25.921
flat angles P-C4'-P energy: -16.380
tors. eta vs tors. theta energy: -24.977
Dist. restrs. and SS energy: -48.600 (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: 5
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -422.125625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.125625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.725625 (E_RNA)
where:
Base-Base interactions energy: -261.838
where: short stacking energy: -94.147
Base-Backbone interact. energy: 1.295
local terms energy: -111.182945
where:
bonds (distance) C4'-P energy: -22.835
bonds (distance) P-C4' energy: -18.036
flat angles C4'-P-C4' energy: -24.495
flat angles P-C4'-P energy: -17.983
tors. eta vs tors. theta energy: -27.835
Dist. restrs. and SS energy: -50.400 (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: 479
Temperature: 1.000000
Total energy: -410.227196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.227196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.827196 (E_RNA)
where:
Base-Base interactions energy: -245.808
where: short stacking energy: -92.525
Base-Backbone interact. energy: -1.482
local terms energy: -112.536952
where:
bonds (distance) C4'-P energy: -23.581
bonds (distance) P-C4' energy: -24.040
flat angles C4'-P-C4' energy: -24.678
flat angles P-C4'-P energy: -13.400
tors. eta vs tors. theta energy: -26.838
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -406.237846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.237846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.637846 (E_RNA)
where:
Base-Base interactions energy: -254.411
where: short stacking energy: -91.804
Base-Backbone interact. energy: -0.654
local terms energy: -102.573002
where:
bonds (distance) C4'-P energy: -16.442
bonds (distance) P-C4' energy: -23.932
flat angles C4'-P-C4' energy: -16.857
flat angles P-C4'-P energy: -18.179
tors. eta vs tors. theta energy: -27.162
Dist. restrs. and SS energy: -48.600 (S_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: 479
Temperature: 1.100000
Total energy: -380.458295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.458295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.058295 (E_RNA)
where:
Base-Base interactions energy: -227.229
where: short stacking energy: -81.574
Base-Backbone interact. energy: -0.709
local terms energy: -102.120790
where:
bonds (distance) C4'-P energy: -16.174
bonds (distance) P-C4' energy: -18.256
flat angles C4'-P-C4' energy: -21.641
flat angles P-C4'-P energy: -17.136
tors. eta vs tors. theta energy: -28.914
Dist. restrs. and SS energy: -50.400 (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: 9
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -336.431321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.431321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.031321 (E_RNA)
where:
Base-Base interactions energy: -188.766
where: short stacking energy: -80.210
Base-Backbone interact. energy: -0.263
local terms energy: -97.002142
where:
bonds (distance) C4'-P energy: -18.612
bonds (distance) P-C4' energy: -16.994
flat angles C4'-P-C4' energy: -25.273
flat angles P-C4'-P energy: -16.174
tors. eta vs tors. theta energy: -19.948
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. 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: -284.723693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.723693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.723693 (E_RNA)
where:
Base-Base interactions energy: -165.309
where: short stacking energy: -72.942
Base-Backbone interact. energy: -1.413
local terms energy: -82.002010
where:
bonds (distance) C4'-P energy: -19.777
bonds (distance) P-C4' energy: -23.757
flat angles C4'-P-C4' energy: -17.419
flat angles P-C4'-P energy: -9.523
tors. eta vs tors. theta energy: -11.526
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -296.288937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.288937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.288937 (E_RNA)
where:
Base-Base interactions energy: -170.358
where: short stacking energy: -76.934
Base-Backbone interact. energy: -0.148
local terms energy: -89.782336
where:
bonds (distance) C4'-P energy: -15.411
bonds (distance) P-C4' energy: -21.641
flat angles C4'-P-C4' energy: -24.841
flat angles P-C4'-P energy: -6.417
tors. eta vs tors. theta energy: -21.472
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -243.405291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.405291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.205291 (E_RNA)
where:
Base-Base interactions energy: -129.130
where: short stacking energy: -50.387
Base-Backbone interact. energy: -0.057
local terms energy: -80.018551
where:
bonds (distance) C4'-P energy: -21.374
bonds (distance) P-C4' energy: -21.187
flat angles C4'-P-C4' energy: -21.640
flat angles P-C4'-P energy: -11.250
tors. eta vs tors. theta energy: -4.567
Dist. restrs. and SS energy: -34.200 (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: 2
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -247.107147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.107147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.307147 (E_RNA)
where:
Base-Base interactions energy: -130.749
where: short stacking energy: -51.061
Base-Backbone interact. energy: 0.314
local terms energy: -78.871192
where:
bonds (distance) C4'-P energy: -16.758
bonds (distance) P-C4' energy: -23.634
flat angles C4'-P-C4' energy: -15.683
flat angles P-C4'-P energy: -14.465
tors. eta vs tors. theta energy: -8.331
Dist. restrs. and SS energy: -37.800 (S_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: 480
Temperature: 0.900000
Total energy: -417.570962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.570962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.170962 (E_RNA)
where:
Base-Base interactions energy: -257.047
where: short stacking energy: -102.549
Base-Backbone interact. energy: 0.336
local terms energy: -110.460060
where:
bonds (distance) C4'-P energy: -18.874
bonds (distance) P-C4' energy: -21.056
flat angles C4'-P-C4' energy: -22.855
flat angles P-C4'-P energy: -18.292
tors. eta vs tors. theta energy: -29.384
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -412.759203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.759203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.359203 (E_RNA)
where:
Base-Base interactions energy: -249.415
where: short stacking energy: -101.095
Base-Backbone interact. energy: -0.658
local terms energy: -112.286386
where:
bonds (distance) C4'-P energy: -22.546
bonds (distance) P-C4' energy: -19.033
flat angles C4'-P-C4' energy: -22.859
flat angles P-C4'-P energy: -19.709
tors. eta vs tors. theta energy: -28.139
Dist. restrs. and SS energy: -50.400 (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: 480
Temperature: 1.000000
Total energy: -406.822268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.822268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.422268 (E_RNA)
where:
Base-Base interactions energy: -240.278
where: short stacking energy: -89.910
Base-Backbone interact. energy: -0.572
local terms energy: -115.571858
where:
bonds (distance) C4'-P energy: -22.809
bonds (distance) P-C4' energy: -21.604
flat angles C4'-P-C4' energy: -24.587
flat angles P-C4'-P energy: -19.921
tors. eta vs tors. theta energy: -26.651
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -399.872728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.872728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.272728 (E_RNA)
where:
Base-Base interactions energy: -238.803
where: short stacking energy: -102.902
Base-Backbone interact. energy: -0.881
local terms energy: -111.588745
where:
bonds (distance) C4'-P energy: -23.245
bonds (distance) P-C4' energy: -19.734
flat angles C4'-P-C4' energy: -19.521
flat angles P-C4'-P energy: -20.642
tors. eta vs tors. theta energy: -28.446
Dist. restrs. and SS energy: -48.600 (S_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: 480
Temperature: 1.100000
Total energy: -380.088453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.088453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.488453 (E_RNA)
where:
Base-Base interactions energy: -226.993
where: short stacking energy: -89.777
Base-Backbone interact. energy: -0.789
local terms energy: -103.706808
where:
bonds (distance) C4'-P energy: -20.557
bonds (distance) P-C4' energy: -23.002
flat angles C4'-P-C4' energy: -17.378
flat angles P-C4'-P energy: -16.577
tors. eta vs tors. theta energy: -26.194
Dist. restrs. and SS energy: -48.600 (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: 9
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -319.678950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.678950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.278950 (E_RNA)
where:
Base-Base interactions energy: -183.150
where: short stacking energy: -66.806
Base-Backbone interact. energy: -0.499
local terms energy: -85.630657
where:
bonds (distance) C4'-P energy: -17.118
bonds (distance) P-C4' energy: -22.197
flat angles C4'-P-C4' energy: -21.722
flat angles P-C4'-P energy: -10.882
tors. eta vs tors. theta energy: -13.711
Dist. restrs. and SS energy: -50.400 (S_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: 480
Temperature: 1.200000
Total energy: -294.847442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.847442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.847442 (E_RNA)
where:
Base-Base interactions energy: -167.487
where: short stacking energy: -62.242
Base-Backbone interact. energy: -1.066
local terms energy: -90.294178
where:
bonds (distance) C4'-P energy: -20.992
bonds (distance) P-C4' energy: -21.258
flat angles C4'-P-C4' energy: -19.060
flat angles P-C4'-P energy: -14.356
tors. eta vs tors. theta energy: -14.628
Dist. restrs. and SS energy: -36.000 (S_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: -294.649309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.649309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.649309 (E_RNA)
where:
Base-Base interactions energy: -171.988
where: short stacking energy: -84.726
Base-Backbone interact. energy: -0.170
local terms energy: -86.490397
where:
bonds (distance) C4'-P energy: -19.365
bonds (distance) P-C4' energy: -14.149
flat angles C4'-P-C4' energy: -25.969
flat angles P-C4'-P energy: -10.185
tors. eta vs tors. theta energy: -16.823
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -271.360498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.360498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.360498 (E_RNA)
where:
Base-Base interactions energy: -145.845
where: short stacking energy: -67.235
Base-Backbone interact. energy: -0.879
local terms energy: -88.637386
where:
bonds (distance) C4'-P energy: -19.313
bonds (distance) P-C4' energy: -20.509
flat angles C4'-P-C4' energy: -23.761
flat angles P-C4'-P energy: -12.314
tors. eta vs tors. theta energy: -12.741
Dist. restrs. and SS energy: -36.000 (S_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: 480
Temperature: 1.350000
Total energy: -245.672265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.672265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.472265 (E_RNA)
where:
Base-Base interactions energy: -128.608
where: short stacking energy: -59.150
Base-Backbone interact. energy: -0.187
local terms energy: -82.677171
where:
bonds (distance) C4'-P energy: -22.776
bonds (distance) P-C4' energy: -25.970
flat angles C4'-P-C4' energy: -13.366
flat angles P-C4'-P energy: -11.583
tors. eta vs tors. theta energy: -8.983
Dist. restrs. and SS energy: -34.200 (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: 481
Temperature: 0.900000
Total energy: -418.804652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.804652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.404652 (E_RNA)
where:
Base-Base interactions energy: -245.997
where: short stacking energy: -106.373
Base-Backbone interact. energy: 0.463
local terms energy: -122.870550
where:
bonds (distance) C4'-P energy: -24.752
bonds (distance) P-C4' energy: -22.603
flat angles C4'-P-C4' energy: -25.010
flat angles P-C4'-P energy: -18.363
tors. eta vs tors. theta energy: -32.144
Dist. restrs. and SS energy: -50.400 (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: 8
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -411.773039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.773039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.373039 (E_RNA)
where:
Base-Base interactions energy: -250.385
where: short stacking energy: -98.293
Base-Backbone interact. energy: 0.663
local terms energy: -111.651474
where:
bonds (distance) C4'-P energy: -23.014
bonds (distance) P-C4' energy: -21.305
flat angles C4'-P-C4' energy: -20.901
flat angles P-C4'-P energy: -20.894
tors. eta vs tors. theta energy: -25.537
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -405.559461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.559461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.959461 (E_RNA)
where:
Base-Base interactions energy: -244.457
where: short stacking energy: -93.088
Base-Backbone interact. energy: -0.813
local terms energy: -111.690309
where:
bonds (distance) C4'-P energy: -21.224
bonds (distance) P-C4' energy: -21.783
flat angles C4'-P-C4' energy: -24.148
flat angles P-C4'-P energy: -16.691
tors. eta vs tors. theta energy: -27.845
Dist. restrs. and SS energy: -48.600 (S_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: 481
Temperature: 1.050000
Total energy: -382.622340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.622340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.222340 (E_RNA)
where:
Base-Base interactions energy: -228.358
where: short stacking energy: -91.105
Base-Backbone interact. energy: 1.038
local terms energy: -104.902289
where:
bonds (distance) C4'-P energy: -19.857
bonds (distance) P-C4' energy: -19.284
flat angles C4'-P-C4' energy: -20.158
flat angles P-C4'-P energy: -15.621
tors. eta vs tors. theta energy: -29.983
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -372.682896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.682896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.282896 (E_RNA)
where:
Base-Base interactions energy: -222.617
where: short stacking energy: -86.673
Base-Backbone interact. energy: -0.202
local terms energy: -99.463925
where:
bonds (distance) C4'-P energy: -19.211
bonds (distance) P-C4' energy: -22.047
flat angles C4'-P-C4' energy: -19.819
flat angles P-C4'-P energy: -17.250
tors. eta vs tors. theta energy: -21.136
Dist. restrs. and SS energy: -50.400 (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: 9
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -337.051682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.051682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.651682 (E_RNA)
where:
Base-Base interactions energy: -196.735
where: short stacking energy: -89.262
Base-Backbone interact. energy: -0.032
local terms energy: -89.885369
where:
bonds (distance) C4'-P energy: -21.516
bonds (distance) P-C4' energy: -23.130
flat angles C4'-P-C4' energy: -18.624
flat angles P-C4'-P energy: -8.875
tors. eta vs tors. theta energy: -17.741
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -284.150126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.150126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.150126 (E_RNA)
where:
Base-Base interactions energy: -156.716
where: short stacking energy: -77.026
Base-Backbone interact. energy: -0.264
local terms energy: -91.170868
where:
bonds (distance) C4'-P energy: -16.044
bonds (distance) P-C4' energy: -23.310
flat angles C4'-P-C4' energy: -22.669
flat angles P-C4'-P energy: -16.276
tors. eta vs tors. theta energy: -12.873
Dist. restrs. and SS energy: -36.000 (S_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: 481
Temperature: 1.250000
Total energy: -280.989946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.989946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.989946 (E_RNA)
where:
Base-Base interactions energy: -155.740
where: short stacking energy: -66.159
Base-Backbone interact. energy: -1.505
local terms energy: -87.745719
where:
bonds (distance) C4'-P energy: -23.004
bonds (distance) P-C4' energy: -17.707
flat angles C4'-P-C4' energy: -20.237
flat angles P-C4'-P energy: -14.908
tors. eta vs tors. theta energy: -11.889
Dist. restrs. and SS energy: -36.000 (S_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: 481
Temperature: 1.300000
Total energy: -267.461103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.461103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.461103 (E_RNA)
where:
Base-Base interactions energy: -141.521
where: short stacking energy: -62.583
Base-Backbone interact. energy: -0.349
local terms energy: -89.591297
where:
bonds (distance) C4'-P energy: -20.455
bonds (distance) P-C4' energy: -19.608
flat angles C4'-P-C4' energy: -19.656
flat angles P-C4'-P energy: -12.517
tors. eta vs tors. theta energy: -17.355
Dist. restrs. and SS energy: -36.000 (S_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: 481
Temperature: 1.350000
Total energy: -265.912625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.912625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.912625 (E_RNA)
where:
Base-Base interactions energy: -144.358
where: short stacking energy: -59.115
Base-Backbone interact. energy: 1.088
local terms energy: -86.642509
where:
bonds (distance) C4'-P energy: -18.375
bonds (distance) P-C4' energy: -20.651
flat angles C4'-P-C4' energy: -20.052
flat angles P-C4'-P energy: -11.665
tors. eta vs tors. theta energy: -15.899
Dist. restrs. and SS energy: -36.000 (S_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: 482
Temperature: 0.900000
Total energy: -397.794207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.794207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.394207 (E_RNA)
where:
Base-Base interactions energy: -238.230
where: short stacking energy: -97.658
Base-Backbone interact. energy: -0.734
local terms energy: -108.431048
where:
bonds (distance) C4'-P energy: -20.430
bonds (distance) P-C4' energy: -26.734
flat angles C4'-P-C4' energy: -22.495
flat angles P-C4'-P energy: -13.903
tors. eta vs tors. theta energy: -24.868
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -408.115461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.115461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.115461 (E_RNA)
where:
Base-Base interactions energy: -254.145
where: short stacking energy: -105.291
Base-Backbone interact. energy: -0.350
local terms energy: -108.621295
where:
bonds (distance) C4'-P energy: -21.011
bonds (distance) P-C4' energy: -24.415
flat angles C4'-P-C4' energy: -20.840
flat angles P-C4'-P energy: -14.376
tors. eta vs tors. theta energy: -27.979
Dist. restrs. and SS energy: -45.000 (S_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: 482
Temperature: 1.000000
Total energy: -412.533958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.533958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.133958 (E_RNA)
where:
Base-Base interactions energy: -250.863
where: short stacking energy: -96.034
Base-Backbone interact. energy: -1.353
local terms energy: -109.918350
where:
bonds (distance) C4'-P energy: -18.115
bonds (distance) P-C4' energy: -20.550
flat angles C4'-P-C4' energy: -25.043
flat angles P-C4'-P energy: -17.292
tors. eta vs tors. theta energy: -28.918
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -397.796974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.796974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.396974 (E_RNA)
where:
Base-Base interactions energy: -236.581
where: short stacking energy: -91.002
Base-Backbone interact. energy: -2.634
local terms energy: -108.182431
where:
bonds (distance) C4'-P energy: -17.428
bonds (distance) P-C4' energy: -26.787
flat angles C4'-P-C4' energy: -21.637
flat angles P-C4'-P energy: -14.749
tors. eta vs tors. theta energy: -27.582
Dist. restrs. and SS energy: -50.400 (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: 9
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -375.778843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.778843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.178843 (E_RNA)
where:
Base-Base interactions energy: -227.884
where: short stacking energy: -83.416
Base-Backbone interact. energy: 0.879
local terms energy: -100.173789
where:
bonds (distance) C4'-P energy: -15.895
bonds (distance) P-C4' energy: -22.933
flat angles C4'-P-C4' energy: -23.064
flat angles P-C4'-P energy: -15.775
tors. eta vs tors. theta energy: -22.506
Dist. restrs. and SS energy: -48.600 (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: 10
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -355.331735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.331735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.931735 (E_RNA)
where:
Base-Base interactions energy: -217.934
where: short stacking energy: -84.364
Base-Backbone interact. energy: -0.386
local terms energy: -86.611210
where:
bonds (distance) C4'-P energy: -19.177
bonds (distance) P-C4' energy: -12.614
flat angles C4'-P-C4' energy: -16.874
flat angles P-C4'-P energy: -17.309
tors. eta vs tors. theta energy: -20.637
Dist. restrs. and SS energy: -50.400 (S_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: 482
Temperature: 1.200000
Total energy: -292.820126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.820126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.820126 (E_RNA)
where:
Base-Base interactions energy: -159.928
where: short stacking energy: -71.756
Base-Backbone interact. energy: 0.871
local terms energy: -97.762884
where:
bonds (distance) C4'-P energy: -21.964
bonds (distance) P-C4' energy: -18.639
flat angles C4'-P-C4' energy: -23.340
flat angles P-C4'-P energy: -16.537
tors. eta vs tors. theta energy: -17.283
Dist. restrs. and SS energy: -36.000 (S_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: 482
Temperature: 1.250000
Total energy: -280.182875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.182875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.182875 (E_RNA)
where:
Base-Base interactions energy: -154.119
where: short stacking energy: -67.770
Base-Backbone interact. energy: -0.480
local terms energy: -89.583938
where:
bonds (distance) C4'-P energy: -23.183
bonds (distance) P-C4' energy: -21.681
flat angles C4'-P-C4' energy: -20.851
flat angles P-C4'-P energy: -11.973
tors. eta vs tors. theta energy: -11.895
Dist. restrs. and SS energy: -36.000 (S_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: 482
Temperature: 1.300000
Total energy: -276.391440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.391440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.191440 (E_RNA)
where:
Base-Base interactions energy: -164.792
where: short stacking energy: -79.997
Base-Backbone interact. energy: -0.078
local terms energy: -77.321854
where:
bonds (distance) C4'-P energy: -16.882
bonds (distance) P-C4' energy: -14.661
flat angles C4'-P-C4' energy: -17.973
flat angles P-C4'-P energy: -10.875
tors. eta vs tors. theta energy: -16.930
Dist. restrs. and SS energy: -34.200 (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: 4
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -255.640275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.640275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.640275 (E_RNA)
where:
Base-Base interactions energy: -143.173
where: short stacking energy: -67.849
Base-Backbone interact. energy: 0.291
local terms energy: -76.759018
where:
bonds (distance) C4'-P energy: -20.595
bonds (distance) P-C4' energy: -13.832
flat angles C4'-P-C4' energy: -16.220
flat angles P-C4'-P energy: -13.461
tors. eta vs tors. theta energy: -12.652
Dist. restrs. and SS energy: -36.000 (S_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: 483
Temperature: 0.900000
Total energy: -399.994879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.994879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.594879 (E_RNA)
where:
Base-Base interactions energy: -243.417
where: short stacking energy: -91.682
Base-Backbone interact. energy: -0.741
local terms energy: -105.437438
where:
bonds (distance) C4'-P energy: -20.323
bonds (distance) P-C4' energy: -22.827
flat angles C4'-P-C4' energy: -20.810
flat angles P-C4'-P energy: -17.171
tors. eta vs tors. theta energy: -24.306
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -413.441988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.441988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.041988 (E_RNA)
where:
Base-Base interactions energy: -247.965
where: short stacking energy: -95.140
Base-Backbone interact. energy: 0.202
local terms energy: -115.278426
where:
bonds (distance) C4'-P energy: -21.349
bonds (distance) P-C4' energy: -26.210
flat angles C4'-P-C4' energy: -22.132
flat angles P-C4'-P energy: -19.943
tors. eta vs tors. theta energy: -25.645
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -417.225825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.225825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.825825 (E_RNA)
where:
Base-Base interactions energy: -253.216
where: short stacking energy: -99.359
Base-Backbone interact. energy: -0.559
local terms energy: -113.050703
where:
bonds (distance) C4'-P energy: -24.185
bonds (distance) P-C4' energy: -22.157
flat angles C4'-P-C4' energy: -22.569
flat angles P-C4'-P energy: -16.554
tors. eta vs tors. theta energy: -27.587
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -404.514120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.514120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.114120 (E_RNA)
where:
Base-Base interactions energy: -246.011
where: short stacking energy: -98.445
Base-Backbone interact. energy: -0.634
local terms energy: -107.468508
where:
bonds (distance) C4'-P energy: -19.962
bonds (distance) P-C4' energy: -17.153
flat angles C4'-P-C4' energy: -21.900
flat angles P-C4'-P energy: -18.055
tors. eta vs tors. theta energy: -30.398
Dist. restrs. and SS energy: -50.400 (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: 9
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -376.513088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.513088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.113088 (E_RNA)
where:
Base-Base interactions energy: -224.370
where: short stacking energy: -90.329
Base-Backbone interact. energy: -0.568
local terms energy: -101.175416
where:
bonds (distance) C4'-P energy: -18.756
bonds (distance) P-C4' energy: -16.932
flat angles C4'-P-C4' energy: -25.112
flat angles P-C4'-P energy: -15.646
tors. eta vs tors. theta energy: -24.730
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -347.300452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.300452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.700452 (E_RNA)
where:
Base-Base interactions energy: -211.741
where: short stacking energy: -84.591
Base-Backbone interact. energy: -0.401
local terms energy: -86.559271
where:
bonds (distance) C4'-P energy: -15.539
bonds (distance) P-C4' energy: -14.080
flat angles C4'-P-C4' energy: -19.046
flat angles P-C4'-P energy: -16.478
tors. eta vs tors. theta energy: -21.415
Dist. restrs. and SS energy: -48.600 (S_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: 483
Temperature: 1.200000
Total energy: -282.828315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.828315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.828315 (E_RNA)
where:
Base-Base interactions energy: -152.772
where: short stacking energy: -68.839
Base-Backbone interact. energy: -0.244
local terms energy: -93.811859
where:
bonds (distance) C4'-P energy: -21.017
bonds (distance) P-C4' energy: -24.927
flat angles C4'-P-C4' energy: -18.901
flat angles P-C4'-P energy: -11.732
tors. eta vs tors. theta energy: -17.234
Dist. restrs. and SS energy: -36.000 (S_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: 483
Temperature: 1.250000
Total energy: -277.090232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.090232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.090232 (E_RNA)
where:
Base-Base interactions energy: -154.041
where: short stacking energy: -67.371
Base-Backbone interact. energy: -0.204
local terms energy: -86.845121
where:
bonds (distance) C4'-P energy: -15.826
bonds (distance) P-C4' energy: -22.114
flat angles C4'-P-C4' energy: -18.774
flat angles P-C4'-P energy: -14.730
tors. eta vs tors. theta energy: -15.402
Dist. restrs. and SS energy: -36.000 (S_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: 483
Temperature: 1.300000
Total energy: -292.396291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.396291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.396291 (E_RNA)
where:
Base-Base interactions energy: -170.392
where: short stacking energy: -80.791
Base-Backbone interact. energy: -0.057
local terms energy: -85.947599
where:
bonds (distance) C4'-P energy: -18.785
bonds (distance) P-C4' energy: -12.930
flat angles C4'-P-C4' energy: -17.393
flat angles P-C4'-P energy: -16.377
tors. eta vs tors. theta energy: -20.462
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -247.898026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.898026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.898026 (E_RNA)
where:
Base-Base interactions energy: -132.569
where: short stacking energy: -57.903
Base-Backbone interact. energy: -0.047
local terms energy: -79.282174
where:
bonds (distance) C4'-P energy: -25.169
bonds (distance) P-C4' energy: -17.880
flat angles C4'-P-C4' energy: -14.589
flat angles P-C4'-P energy: -7.216
tors. eta vs tors. theta energy: -14.428
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -414.277582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.277582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.877582 (E_RNA)
where:
Base-Base interactions energy: -250.207
where: short stacking energy: -98.941
Base-Backbone interact. energy: 0.556
local terms energy: -114.226620
where:
bonds (distance) C4'-P energy: -21.269
bonds (distance) P-C4' energy: -22.811
flat angles C4'-P-C4' energy: -21.978
flat angles P-C4'-P energy: -19.869
tors. eta vs tors. theta energy: -28.301
Dist. restrs. and SS energy: -50.400 (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: 8
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -395.193467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.193467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.593467 (E_RNA)
where:
Base-Base interactions energy: -238.738
where: short stacking energy: -90.924
Base-Backbone interact. energy: 0.645
local terms energy: -108.500462
where:
bonds (distance) C4'-P energy: -22.648
bonds (distance) P-C4' energy: -27.778
flat angles C4'-P-C4' energy: -16.575
flat angles P-C4'-P energy: -14.759
tors. eta vs tors. theta energy: -26.740
Dist. restrs. and SS energy: -48.600 (S_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: 484
Temperature: 1.000000
Total energy: -412.284542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.284542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.884542 (E_RNA)
where:
Base-Base interactions energy: -257.311
where: short stacking energy: -93.970
Base-Backbone interact. energy: -1.894
local terms energy: -102.679562
where:
bonds (distance) C4'-P energy: -21.502
bonds (distance) P-C4' energy: -21.444
flat angles C4'-P-C4' energy: -22.900
flat angles P-C4'-P energy: -6.962
tors. eta vs tors. theta energy: -29.871
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -384.391590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.391590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.991590 (E_RNA)
where:
Base-Base interactions energy: -229.704
where: short stacking energy: -85.123
Base-Backbone interact. energy: -1.011
local terms energy: -103.275977
where:
bonds (distance) C4'-P energy: -24.128
bonds (distance) P-C4' energy: -23.577
flat angles C4'-P-C4' energy: -21.944
flat angles P-C4'-P energy: -9.706
tors. eta vs tors. theta energy: -23.921
Dist. restrs. and SS energy: -50.400 (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: 9
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -379.456980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.456980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.656980 (E_RNA)
where:
Base-Base interactions energy: -225.809
where: short stacking energy: -93.324
Base-Backbone interact. energy: -0.238
local terms energy: -106.609779
where:
bonds (distance) C4'-P energy: -19.676
bonds (distance) P-C4' energy: -21.670
flat angles C4'-P-C4' energy: -22.666
flat angles P-C4'-P energy: -16.741
tors. eta vs tors. theta energy: -25.856
Dist. restrs. and SS energy: -46.800 (S_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: 484
Temperature: 1.150000
Total energy: -345.712600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.712600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.312600 (E_RNA)
where:
Base-Base interactions energy: -217.370
where: short stacking energy: -81.053
Base-Backbone interact. energy: -0.885
local terms energy: -77.058013
where:
bonds (distance) C4'-P energy: -9.027
bonds (distance) P-C4' energy: -18.795
flat angles C4'-P-C4' energy: -16.406
flat angles P-C4'-P energy: -13.913
tors. eta vs tors. theta energy: -18.917
Dist. restrs. and SS energy: -50.400 (S_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: 484
Temperature: 1.200000
Total energy: -286.043931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.043931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.043931 (E_RNA)
where:
Base-Base interactions energy: -161.017
where: short stacking energy: -70.937
Base-Backbone interact. energy: -0.128
local terms energy: -88.898799
where:
bonds (distance) C4'-P energy: -21.924
bonds (distance) P-C4' energy: -22.662
flat angles C4'-P-C4' energy: -18.126
flat angles P-C4'-P energy: -13.590
tors. eta vs tors. theta energy: -12.595
Dist. restrs. and SS energy: -36.000 (S_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: 484
Temperature: 1.250000
Total energy: -281.193034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.193034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.993034 (E_RNA)
where:
Base-Base interactions energy: -157.668
where: short stacking energy: -70.748
Base-Backbone interact. energy: -0.447
local terms energy: -88.878316
where:
bonds (distance) C4'-P energy: -18.270
bonds (distance) P-C4' energy: -24.540
flat angles C4'-P-C4' energy: -20.298
flat angles P-C4'-P energy: -14.507
tors. eta vs tors. theta energy: -11.264
Dist. restrs. and SS energy: -34.200 (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: 3
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -259.552058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.552058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.352058 (E_RNA)
where:
Base-Base interactions energy: -159.136
where: short stacking energy: -58.141
Base-Backbone interact. energy: 1.309
local terms energy: -67.525376
where:
bonds (distance) C4'-P energy: -13.135
bonds (distance) P-C4' energy: -22.054
flat angles C4'-P-C4' energy: -20.255
flat angles P-C4'-P energy: -4.952
tors. eta vs tors. theta energy: -7.130
Dist. restrs. and SS energy: -34.200 (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: 4
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -249.531459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.531459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.531459 (E_RNA)
where:
Base-Base interactions energy: -129.700
where: short stacking energy: -62.382
Base-Backbone interact. energy: -0.337
local terms energy: -83.494016
where:
bonds (distance) C4'-P energy: -21.296
bonds (distance) P-C4' energy: -22.630
flat angles C4'-P-C4' energy: -21.494
flat angles P-C4'-P energy: -11.335
tors. eta vs tors. theta energy: -6.739
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -408.172450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.172450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.772450 (E_RNA)
where:
Base-Base interactions energy: -244.378
where: short stacking energy: -91.787
Base-Backbone interact. energy: 0.820
local terms energy: -114.214735
where:
bonds (distance) C4'-P energy: -16.879
bonds (distance) P-C4' energy: -24.535
flat angles C4'-P-C4' energy: -25.146
flat angles P-C4'-P energy: -21.271
tors. eta vs tors. theta energy: -26.384
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -402.573176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.573176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.173176 (E_RNA)
where:
Base-Base interactions energy: -249.415
where: short stacking energy: -100.485
Base-Backbone interact. energy: -0.336
local terms energy: -102.422731
where:
bonds (distance) C4'-P energy: -17.135
bonds (distance) P-C4' energy: -23.303
flat angles C4'-P-C4' energy: -20.092
flat angles P-C4'-P energy: -12.267
tors. eta vs tors. theta energy: -29.625
Dist. restrs. and SS energy: -50.400 (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: 485
Temperature: 1.000000
Total energy: -384.638792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.638792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.238792 (E_RNA)
where:
Base-Base interactions energy: -241.281
where: short stacking energy: -94.010
Base-Backbone interact. energy: -0.618
local terms energy: -92.339822
where:
bonds (distance) C4'-P energy: -21.741
bonds (distance) P-C4' energy: -18.500
flat angles C4'-P-C4' energy: -17.267
flat angles P-C4'-P energy: -8.797
tors. eta vs tors. theta energy: -26.035
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -406.127322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.127322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.727322 (E_RNA)
where:
Base-Base interactions energy: -241.101
where: short stacking energy: -96.880
Base-Backbone interact. energy: -0.381
local terms energy: -114.246138
where:
bonds (distance) C4'-P energy: -20.874
bonds (distance) P-C4' energy: -23.146
flat angles C4'-P-C4' energy: -25.373
flat angles P-C4'-P energy: -16.559
tors. eta vs tors. theta energy: -28.294
Dist. restrs. and SS energy: -50.400 (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: 9
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -375.278815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.278815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.678815 (E_RNA)
where:
Base-Base interactions energy: -235.957
where: short stacking energy: -86.962
Base-Backbone interact. energy: -0.531
local terms energy: -90.191599
where:
bonds (distance) C4'-P energy: -21.335
bonds (distance) P-C4' energy: -14.039
flat angles C4'-P-C4' energy: -14.281
flat angles P-C4'-P energy: -13.580
tors. eta vs tors. theta energy: -26.957
Dist. restrs. and SS energy: -48.600 (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: 10
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -344.854307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.854307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.454307 (E_RNA)
where:
Base-Base interactions energy: -198.919
where: short stacking energy: -78.852
Base-Backbone interact. energy: -0.174
local terms energy: -95.361950
where:
bonds (distance) C4'-P energy: -19.844
bonds (distance) P-C4' energy: -20.980
flat angles C4'-P-C4' energy: -17.984
flat angles P-C4'-P energy: -17.115
tors. eta vs tors. theta energy: -19.439
Dist. restrs. and SS energy: -50.400 (S_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: 485
Temperature: 1.200000
Total energy: -299.867016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.867016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.867016 (E_RNA)
where:
Base-Base interactions energy: -168.097
where: short stacking energy: -82.349
Base-Backbone interact. energy: -0.246
local terms energy: -95.523908
where:
bonds (distance) C4'-P energy: -21.555
bonds (distance) P-C4' energy: -18.978
flat angles C4'-P-C4' energy: -25.845
flat angles P-C4'-P energy: -9.297
tors. eta vs tors. theta energy: -19.850
Dist. restrs. and SS energy: -36.000 (S_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: 485
Temperature: 1.250000
Total energy: -266.332636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.332636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.332636 (E_RNA)
where:
Base-Base interactions energy: -142.675
where: short stacking energy: -75.519
Base-Backbone interact. energy: -0.553
local terms energy: -87.104875
where:
bonds (distance) C4'-P energy: -20.210
bonds (distance) P-C4' energy: -19.696
flat angles C4'-P-C4' energy: -18.483
flat angles P-C4'-P energy: -9.308
tors. eta vs tors. theta energy: -19.409
Dist. restrs. and SS energy: -36.000 (S_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: 485
Temperature: 1.300000
Total energy: -260.879330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.879330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.679330 (E_RNA)
where:
Base-Base interactions energy: -143.230
where: short stacking energy: -64.913
Base-Backbone interact. energy: -0.074
local terms energy: -83.375630
where:
bonds (distance) C4'-P energy: -19.067
bonds (distance) P-C4' energy: -23.061
flat angles C4'-P-C4' energy: -16.378
flat angles P-C4'-P energy: -9.111
tors. eta vs tors. theta energy: -15.758
Dist. restrs. and SS energy: -34.200 (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: 4
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -244.571092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.571092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.571092 (E_RNA)
where:
Base-Base interactions energy: -127.724
where: short stacking energy: -62.088
Base-Backbone interact. energy: 0.225
local terms energy: -81.071953
where:
bonds (distance) C4'-P energy: -8.510
bonds (distance) P-C4' energy: -21.887
flat angles C4'-P-C4' energy: -23.256
flat angles P-C4'-P energy: -15.343
tors. eta vs tors. theta energy: -12.077
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -420.991142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.991142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.591142 (E_RNA)
where:
Base-Base interactions energy: -252.526
where: short stacking energy: -97.291
Base-Backbone interact. energy: -0.335
local terms energy: -117.730719
where:
bonds (distance) C4'-P energy: -19.731
bonds (distance) P-C4' energy: -24.326
flat angles C4'-P-C4' energy: -23.347
flat angles P-C4'-P energy: -19.024
tors. eta vs tors. theta energy: -31.302
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -410.799850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.799850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.399850 (E_RNA)
where:
Base-Base interactions energy: -244.090
where: short stacking energy: -99.020
Base-Backbone interact. energy: -0.556
local terms energy: -115.754298
where:
bonds (distance) C4'-P energy: -27.384
bonds (distance) P-C4' energy: -23.694
flat angles C4'-P-C4' energy: -21.630
flat angles P-C4'-P energy: -16.739
tors. eta vs tors. theta energy: -26.307
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -395.102280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.102280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.702280 (E_RNA)
where:
Base-Base interactions energy: -238.331
where: short stacking energy: -88.488
Base-Backbone interact. energy: -0.377
local terms energy: -105.993989
where:
bonds (distance) C4'-P energy: -22.080
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -23.336
flat angles P-C4'-P energy: -17.247
tors. eta vs tors. theta energy: -25.372
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -385.017152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.017152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.617152 (E_RNA)
where:
Base-Base interactions energy: -227.663
where: short stacking energy: -92.338
Base-Backbone interact. energy: -1.425
local terms energy: -105.528957
where:
bonds (distance) C4'-P energy: -23.589
bonds (distance) P-C4' energy: -16.918
flat angles C4'-P-C4' energy: -23.375
flat angles P-C4'-P energy: -20.847
tors. eta vs tors. theta energy: -20.801
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -368.949041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.949041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.549041 (E_RNA)
where:
Base-Base interactions energy: -215.434
where: short stacking energy: -86.825
Base-Backbone interact. energy: -0.348
local terms energy: -102.767318
where:
bonds (distance) C4'-P energy: -20.675
bonds (distance) P-C4' energy: -20.763
flat angles C4'-P-C4' energy: -21.144
flat angles P-C4'-P energy: -15.706
tors. eta vs tors. theta energy: -24.479
Dist. restrs. and SS energy: -50.400 (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: 9
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -357.038076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.038076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.638076 (E_RNA)
where:
Base-Base interactions energy: -205.900
where: short stacking energy: -79.373
Base-Backbone interact. energy: -1.674
local terms energy: -99.064055
where:
bonds (distance) C4'-P energy: -19.503
bonds (distance) P-C4' energy: -23.729
flat angles C4'-P-C4' energy: -19.697
flat angles P-C4'-P energy: -14.427
tors. eta vs tors. theta energy: -21.708
Dist. restrs. and SS energy: -50.400 (S_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: 486
Temperature: 1.200000
Total energy: -266.099296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.099296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.099296 (E_RNA)
where:
Base-Base interactions energy: -151.665
where: short stacking energy: -66.074
Base-Backbone interact. energy: -0.076
local terms energy: -78.358537
where:
bonds (distance) C4'-P energy: -20.737
bonds (distance) P-C4' energy: -13.108
flat angles C4'-P-C4' energy: -18.195
flat angles P-C4'-P energy: -13.397
tors. eta vs tors. theta energy: -12.922
Dist. restrs. and SS energy: -36.000 (S_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: 486
Temperature: 1.250000
Total energy: -262.766285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.766285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.766285 (E_RNA)
where:
Base-Base interactions energy: -138.964
where: short stacking energy: -56.354
Base-Backbone interact. energy: -0.079
local terms energy: -87.722568
where:
bonds (distance) C4'-P energy: -23.982
bonds (distance) P-C4' energy: -19.369
flat angles C4'-P-C4' energy: -17.347
flat angles P-C4'-P energy: -11.901
tors. eta vs tors. theta energy: -15.124
Dist. restrs. and SS energy: -36.000 (S_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: 486
Temperature: 1.300000
Total energy: -253.051402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.051402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.051402 (E_RNA)
where:
Base-Base interactions energy: -133.588
where: short stacking energy: -59.099
Base-Backbone interact. energy: -1.023
local terms energy: -82.440463
where:
bonds (distance) C4'-P energy: -22.099
bonds (distance) P-C4' energy: -20.742
flat angles C4'-P-C4' energy: -14.182
flat angles P-C4'-P energy: -15.325
tors. eta vs tors. theta energy: -10.092
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. 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: -266.567329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.567329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.567329 (E_RNA)
where:
Base-Base interactions energy: -146.025
where: short stacking energy: -68.445
Base-Backbone interact. energy: -0.194
local terms energy: -84.347614
where:
bonds (distance) C4'-P energy: -13.255
bonds (distance) P-C4' energy: -20.569
flat angles C4'-P-C4' energy: -18.334
flat angles P-C4'-P energy: -18.906
tors. eta vs tors. theta energy: -13.284
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -417.268414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.268414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.868414 (E_RNA)
where:
Base-Base interactions energy: -256.225
where: short stacking energy: -99.926
Base-Backbone interact. energy: -1.130
local terms energy: -109.513841
where:
bonds (distance) C4'-P energy: -21.738
bonds (distance) P-C4' energy: -21.395
flat angles C4'-P-C4' energy: -25.263
flat angles P-C4'-P energy: -10.960
tors. eta vs tors. theta energy: -30.158
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -408.440886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.440886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.840886 (E_RNA)
where:
Base-Base interactions energy: -249.291
where: short stacking energy: -96.232
Base-Backbone interact. energy: -0.581
local terms energy: -109.968796
where:
bonds (distance) C4'-P energy: -23.560
bonds (distance) P-C4' energy: -17.362
flat angles C4'-P-C4' energy: -21.203
flat angles P-C4'-P energy: -17.570
tors. eta vs tors. theta energy: -30.275
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -398.849767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.849767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.249767 (E_RNA)
where:
Base-Base interactions energy: -243.097
where: short stacking energy: -93.717
Base-Backbone interact. energy: -0.807
local terms energy: -106.345955
where:
bonds (distance) C4'-P energy: -21.709
bonds (distance) P-C4' energy: -23.620
flat angles C4'-P-C4' energy: -24.357
flat angles P-C4'-P energy: -13.836
tors. eta vs tors. theta energy: -22.823
Dist. restrs. and SS energy: -48.600 (S_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: 487
Temperature: 1.050000
Total energy: -383.701110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.701110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.701110 (E_RNA)
where:
Base-Base interactions energy: -231.506
where: short stacking energy: -95.292
Base-Backbone interact. energy: -0.252
local terms energy: -106.942666
where:
bonds (distance) C4'-P energy: -18.646
bonds (distance) P-C4' energy: -25.215
flat angles C4'-P-C4' energy: -19.592
flat angles P-C4'-P energy: -16.003
tors. eta vs tors. theta energy: -27.486
Dist. restrs. and SS energy: -45.000 (S_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: 487
Temperature: 1.100000
Total energy: -371.208455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.208455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.608455 (E_RNA)
where:
Base-Base interactions energy: -226.155
where: short stacking energy: -78.487
Base-Backbone interact. energy: -0.500
local terms energy: -95.953390
where:
bonds (distance) C4'-P energy: -18.000
bonds (distance) P-C4' energy: -21.856
flat angles C4'-P-C4' energy: -18.468
flat angles P-C4'-P energy: -17.392
tors. eta vs tors. theta energy: -20.238
Dist. restrs. and SS energy: -48.600 (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: 9
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -372.075941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.075941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.475941 (E_RNA)
where:
Base-Base interactions energy: -220.671
where: short stacking energy: -85.623
Base-Backbone interact. energy: 1.774
local terms energy: -104.578843
where:
bonds (distance) C4'-P energy: -20.918
bonds (distance) P-C4' energy: -20.427
flat angles C4'-P-C4' energy: -22.491
flat angles P-C4'-P energy: -15.029
tors. eta vs tors. theta energy: -25.714
Dist. restrs. and SS energy: -48.600 (S_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: 487
Temperature: 1.200000
Total energy: -270.023381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.023381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.023381 (E_RNA)
where:
Base-Base interactions energy: -144.184
where: short stacking energy: -62.489
Base-Backbone interact. energy: -0.245
local terms energy: -89.593932
where:
bonds (distance) C4'-P energy: -21.263
bonds (distance) P-C4' energy: -22.573
flat angles C4'-P-C4' energy: -19.570
flat angles P-C4'-P energy: -14.592
tors. eta vs tors. theta energy: -11.596
Dist. restrs. and SS energy: -36.000 (S_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: 487
Temperature: 1.250000
Total energy: -264.621643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.621643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.621643 (E_RNA)
where:
Base-Base interactions energy: -148.854
where: short stacking energy: -69.181
Base-Backbone interact. energy: -0.431
local terms energy: -79.337001
where:
bonds (distance) C4'-P energy: -17.010
bonds (distance) P-C4' energy: -19.261
flat angles C4'-P-C4' energy: -17.074
flat angles P-C4'-P energy: -14.931
tors. eta vs tors. theta energy: -11.062
Dist. restrs. and SS energy: -36.000 (S_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: 487
Temperature: 1.300000
Total energy: -251.862440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.862440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.862440 (E_RNA)
where:
Base-Base interactions energy: -133.518
where: short stacking energy: -62.168
Base-Backbone interact. energy: -0.677
local terms energy: -81.667079
where:
bonds (distance) C4'-P energy: -15.195
bonds (distance) P-C4' energy: -19.113
flat angles C4'-P-C4' energy: -23.749
flat angles P-C4'-P energy: -12.669
tors. eta vs tors. theta energy: -10.941
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. 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: -259.913976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.913976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.913976 (E_RNA)
where:
Base-Base interactions energy: -147.134
where: short stacking energy: -58.293
Base-Backbone interact. energy: -0.743
local terms energy: -76.036376
where:
bonds (distance) C4'-P energy: -21.755
bonds (distance) P-C4' energy: -14.667
flat angles C4'-P-C4' energy: -13.999
flat angles P-C4'-P energy: -11.469
tors. eta vs tors. theta energy: -14.147
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -414.577951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.577951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.177951 (E_RNA)
where:
Base-Base interactions energy: -259.353
where: short stacking energy: -99.886
Base-Backbone interact. energy: 0.655
local terms energy: -105.480383
where:
bonds (distance) C4'-P energy: -18.153
bonds (distance) P-C4' energy: -19.120
flat angles C4'-P-C4' energy: -19.225
flat angles P-C4'-P energy: -20.982
tors. eta vs tors. theta energy: -28.001
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -405.460788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.460788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.060788 (E_RNA)
where:
Base-Base interactions energy: -244.831
where: short stacking energy: -93.224
Base-Backbone interact. energy: -0.932
local terms energy: -109.298068
where:
bonds (distance) C4'-P energy: -24.121
bonds (distance) P-C4' energy: -19.729
flat angles C4'-P-C4' energy: -19.589
flat angles P-C4'-P energy: -13.601
tors. eta vs tors. theta energy: -32.259
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -403.559619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.559619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.159619 (E_RNA)
where:
Base-Base interactions energy: -238.340
where: short stacking energy: -99.343
Base-Backbone interact. energy: -2.407
local terms energy: -112.413185
where:
bonds (distance) C4'-P energy: -22.559
bonds (distance) P-C4' energy: -19.315
flat angles C4'-P-C4' energy: -23.859
flat angles P-C4'-P energy: -16.690
tors. eta vs tors. theta energy: -29.991
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -395.235837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.235837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.835837 (E_RNA)
where:
Base-Base interactions energy: -238.404
where: short stacking energy: -91.232
Base-Backbone interact. energy: -0.491
local terms energy: -105.940528
where:
bonds (distance) C4'-P energy: -18.736
bonds (distance) P-C4' energy: -23.140
flat angles C4'-P-C4' energy: -20.248
flat angles P-C4'-P energy: -19.607
tors. eta vs tors. theta energy: -24.210
Dist. restrs. and SS energy: -50.400 (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: 9
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -367.599334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.599334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.199334 (E_RNA)
where:
Base-Base interactions energy: -206.959
where: short stacking energy: -83.619
Base-Backbone interact. energy: -1.360
local terms energy: -108.879944
where:
bonds (distance) C4'-P energy: -16.781
bonds (distance) P-C4' energy: -22.112
flat angles C4'-P-C4' energy: -22.491
flat angles P-C4'-P energy: -20.406
tors. eta vs tors. theta energy: -27.090
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -365.729588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.729588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.329588 (E_RNA)
where:
Base-Base interactions energy: -217.877
where: short stacking energy: -88.725
Base-Backbone interact. energy: -0.830
local terms energy: -96.622567
where:
bonds (distance) C4'-P energy: -24.102
bonds (distance) P-C4' energy: -18.512
flat angles C4'-P-C4' energy: -16.083
flat angles P-C4'-P energy: -15.572
tors. eta vs tors. theta energy: -22.353
Dist. restrs. and SS energy: -50.400 (S_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: 488
Temperature: 1.200000
Total energy: -287.469995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.469995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.469995 (E_RNA)
where:
Base-Base interactions energy: -162.977
where: short stacking energy: -79.273
Base-Backbone interact. energy: -1.027
local terms energy: -87.465823
where:
bonds (distance) C4'-P energy: -19.893
bonds (distance) P-C4' energy: -20.932
flat angles C4'-P-C4' energy: -19.566
flat angles P-C4'-P energy: -8.817
tors. eta vs tors. theta energy: -18.257
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -274.870438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.870438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.670438 (E_RNA)
where:
Base-Base interactions energy: -153.375
where: short stacking energy: -71.298
Base-Backbone interact. energy: -0.278
local terms energy: -87.017198
where:
bonds (distance) C4'-P energy: -19.990
bonds (distance) P-C4' energy: -23.105
flat angles C4'-P-C4' energy: -17.903
flat angles P-C4'-P energy: -13.545
tors. eta vs tors. theta energy: -12.474
Dist. restrs. and SS energy: -34.200 (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: 3
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -278.468243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.468243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.468243 (E_RNA)
where:
Base-Base interactions energy: -152.040
where: short stacking energy: -66.987
Base-Backbone interact. energy: 1.407
local terms energy: -91.835198
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -24.315
flat angles C4'-P-C4' energy: -22.219
flat angles P-C4'-P energy: -15.691
tors. eta vs tors. theta energy: -14.414
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. 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: -255.135393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.135393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.135393 (E_RNA)
where:
Base-Base interactions energy: -142.337
where: short stacking energy: -56.839
Base-Backbone interact. energy: 2.065
local terms energy: -78.863062
where:
bonds (distance) C4'-P energy: -18.678
bonds (distance) P-C4' energy: -22.303
flat angles C4'-P-C4' energy: -23.994
flat angles P-C4'-P energy: -8.165
tors. eta vs tors. theta energy: -5.722
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -407.185555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.185555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.785555 (E_RNA)
where:
Base-Base interactions energy: -246.286
where: short stacking energy: -81.367
Base-Backbone interact. energy: -0.735
local terms energy: -109.764036
where:
bonds (distance) C4'-P energy: -24.387
bonds (distance) P-C4' energy: -21.318
flat angles C4'-P-C4' energy: -21.826
flat angles P-C4'-P energy: -13.540
tors. eta vs tors. theta energy: -28.693
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -406.186024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.186024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.786024 (E_RNA)
where:
Base-Base interactions energy: -251.392
where: short stacking energy: -87.864
Base-Backbone interact. energy: -0.589
local terms energy: -103.805491
where:
bonds (distance) C4'-P energy: -21.221
bonds (distance) P-C4' energy: -24.866
flat angles C4'-P-C4' energy: -21.699
flat angles P-C4'-P energy: -15.058
tors. eta vs tors. theta energy: -20.962
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -410.804624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.804624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.204624 (E_RNA)
where:
Base-Base interactions energy: -254.925
where: short stacking energy: -89.427
Base-Backbone interact. energy: -1.250
local terms energy: -106.029950
where:
bonds (distance) C4'-P energy: -23.714
bonds (distance) P-C4' energy: -14.144
flat angles C4'-P-C4' energy: -19.648
flat angles P-C4'-P energy: -19.252
tors. eta vs tors. theta energy: -29.272
Dist. restrs. and SS energy: -48.600 (S_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: 489
Temperature: 1.050000
Total energy: -393.795787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.795787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.395787 (E_RNA)
where:
Base-Base interactions energy: -233.742
where: short stacking energy: -88.353
Base-Backbone interact. energy: -0.659
local terms energy: -108.995433
where:
bonds (distance) C4'-P energy: -21.526
bonds (distance) P-C4' energy: -19.720
flat angles C4'-P-C4' energy: -23.180
flat angles P-C4'-P energy: -19.221
tors. eta vs tors. theta energy: -25.348
Dist. restrs. and SS energy: -50.400 (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: 489
Temperature: 1.100000
Total energy: -383.291067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.291067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.891067 (E_RNA)
where:
Base-Base interactions energy: -233.380
where: short stacking energy: -86.908
Base-Backbone interact. energy: 5.415
local terms energy: -104.925721
where:
bonds (distance) C4'-P energy: -24.387
bonds (distance) P-C4' energy: -19.323
flat angles C4'-P-C4' energy: -21.009
flat angles P-C4'-P energy: -13.694
tors. eta vs tors. theta energy: -26.512
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -365.679206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.679206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.279206 (E_RNA)
where:
Base-Base interactions energy: -221.495
where: short stacking energy: -83.457
Base-Backbone interact. energy: -0.593
local terms energy: -93.191244
where:
bonds (distance) C4'-P energy: -16.484
bonds (distance) P-C4' energy: -19.967
flat angles C4'-P-C4' energy: -22.008
flat angles P-C4'-P energy: -11.422
tors. eta vs tors. theta energy: -23.310
Dist. restrs. and SS energy: -50.400 (S_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: 489
Temperature: 1.200000
Total energy: -289.956993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.956993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.956993 (E_RNA)
where:
Base-Base interactions energy: -166.933
where: short stacking energy: -71.650
Base-Backbone interact. energy: -1.116
local terms energy: -85.907470
where:
bonds (distance) C4'-P energy: -18.819
bonds (distance) P-C4' energy: -16.344
flat angles C4'-P-C4' energy: -21.025
flat angles P-C4'-P energy: -13.687
tors. eta vs tors. theta energy: -16.031
Dist. restrs. and SS energy: -36.000 (S_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: 489
Temperature: 1.250000
Total energy: -283.643091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.643091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.443091 (E_RNA)
where:
Base-Base interactions energy: -164.090
where: short stacking energy: -79.320
Base-Backbone interact. energy: -0.167
local terms energy: -85.186106
where:
bonds (distance) C4'-P energy: -18.512
bonds (distance) P-C4' energy: -17.811
flat angles C4'-P-C4' energy: -16.666
flat angles P-C4'-P energy: -9.897
tors. eta vs tors. theta energy: -22.299
Dist. restrs. and SS energy: -34.200 (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: 3
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -273.626021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.626021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.626021 (E_RNA)
where:
Base-Base interactions energy: -164.509
where: short stacking energy: -63.363
Base-Backbone interact. energy: 1.541
local terms energy: -74.657935
where:
bonds (distance) C4'-P energy: -15.217
bonds (distance) P-C4' energy: -15.969
flat angles C4'-P-C4' energy: -20.173
flat angles P-C4'-P energy: -10.829
tors. eta vs tors. theta energy: -12.470
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. 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: -236.335260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.335260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.335260 (E_RNA)
where:
Base-Base interactions energy: -127.915
where: short stacking energy: -57.892
Base-Backbone interact. energy: 0.002
local terms energy: -72.421390
where:
bonds (distance) C4'-P energy: -16.328
bonds (distance) P-C4' energy: -19.681
flat angles C4'-P-C4' energy: -15.383
flat angles P-C4'-P energy: -13.074
tors. eta vs tors. theta energy: -7.956
Dist. restrs. and SS energy: -36.000 (S_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: -410.866513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.866513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.466513 (E_RNA)
where:
Base-Base interactions energy: -243.273
where: short stacking energy: -97.840
Base-Backbone interact. energy: -0.691
local terms energy: -116.502946
where:
bonds (distance) C4'-P energy: -23.535
bonds (distance) P-C4' energy: -24.656
flat angles C4'-P-C4' energy: -24.401
flat angles P-C4'-P energy: -17.450
tors. eta vs tors. theta energy: -26.460
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -403.895270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.895270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.495270 (E_RNA)
where:
Base-Base interactions energy: -246.352
where: short stacking energy: -102.513
Base-Backbone interact. energy: 1.573
local terms energy: -108.716062
where:
bonds (distance) C4'-P energy: -17.660
bonds (distance) P-C4' energy: -25.765
flat angles C4'-P-C4' energy: -17.560
flat angles P-C4'-P energy: -20.779
tors. eta vs tors. theta energy: -26.952
Dist. restrs. and SS energy: -50.400 (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: 9
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -418.256821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.256821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.856821 (E_RNA)
where:
Base-Base interactions energy: -250.952
where: short stacking energy: -99.657
Base-Backbone interact. energy: -0.426
local terms energy: -116.478403
where:
bonds (distance) C4'-P energy: -21.425
bonds (distance) P-C4' energy: -22.116
flat angles C4'-P-C4' energy: -25.468
flat angles P-C4'-P energy: -17.888
tors. eta vs tors. theta energy: -29.582
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -394.166132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.166132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.766132 (E_RNA)
where:
Base-Base interactions energy: -234.544
where: short stacking energy: -92.863
Base-Backbone interact. energy: -1.362
local terms energy: -107.860325
where:
bonds (distance) C4'-P energy: -21.191
bonds (distance) P-C4' energy: -24.588
flat angles C4'-P-C4' energy: -21.974
flat angles P-C4'-P energy: -14.041
tors. eta vs tors. theta energy: -26.067
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -377.352173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.352173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.752173 (E_RNA)
where:
Base-Base interactions energy: -233.534
where: short stacking energy: -72.001
Base-Backbone interact. energy: 2.622
local terms energy: -97.839559
where:
bonds (distance) C4'-P energy: -22.354
bonds (distance) P-C4' energy: -22.645
flat angles C4'-P-C4' energy: -17.067
flat angles P-C4'-P energy: -12.057
tors. eta vs tors. theta energy: -23.717
Dist. restrs. and SS energy: -48.600 (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: 490
Temperature: 1.150000
Total energy: -378.925562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.925562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.525562 (E_RNA)
where:
Base-Base interactions energy: -233.413
where: short stacking energy: -97.021
Base-Backbone interact. energy: -0.348
local terms energy: -94.764528
where:
bonds (distance) C4'-P energy: -18.452
bonds (distance) P-C4' energy: -19.822
flat angles C4'-P-C4' energy: -13.943
flat angles P-C4'-P energy: -15.593
tors. eta vs tors. theta energy: -26.955
Dist. restrs. and SS energy: -50.400 (S_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: 490
Temperature: 1.200000
Total energy: -298.782091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.782091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.782091 (E_RNA)
where:
Base-Base interactions energy: -179.028
where: short stacking energy: -75.743
Base-Backbone interact. energy: 2.894
local terms energy: -86.647937
where:
bonds (distance) C4'-P energy: -13.316
bonds (distance) P-C4' energy: -21.766
flat angles C4'-P-C4' energy: -21.615
flat angles P-C4'-P energy: -11.372
tors. eta vs tors. theta energy: -18.579
Dist. restrs. and SS energy: -36.000 (S_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: 490
Temperature: 1.250000
Total energy: -276.428250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.428250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.028250 (E_RNA)
where:
Base-Base interactions energy: -144.946
where: short stacking energy: -67.938
Base-Backbone interact. energy: -0.050
local terms energy: -99.032688
where:
bonds (distance) C4'-P energy: -20.819
bonds (distance) P-C4' energy: -24.216
flat angles C4'-P-C4' energy: -25.037
flat angles P-C4'-P energy: -15.126
tors. eta vs tors. theta energy: -13.834
Dist. restrs. and SS energy: -32.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -275.305546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.305546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.305546 (E_RNA)
where:
Base-Base interactions energy: -148.787
where: short stacking energy: -72.975
Base-Backbone interact. energy: -0.340
local terms energy: -90.178374
where:
bonds (distance) C4'-P energy: -16.385
bonds (distance) P-C4' energy: -21.992
flat angles C4'-P-C4' energy: -20.830
flat angles P-C4'-P energy: -12.939
tors. eta vs tors. theta energy: -18.032
Dist. restrs. and SS energy: -36.000 (S_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: 490
Temperature: 1.350000
Total energy: -259.854498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.854498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.854498 (E_RNA)
where:
Base-Base interactions energy: -150.368
where: short stacking energy: -60.617
Base-Backbone interact. energy: -0.331
local terms energy: -73.155473
where:
bonds (distance) C4'-P energy: -18.368
bonds (distance) P-C4' energy: -13.832
flat angles C4'-P-C4' energy: -15.474
flat angles P-C4'-P energy: -13.635
tors. eta vs tors. theta energy: -11.846
Dist. restrs. and SS energy: -36.000 (S_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: -413.300819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.300819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.900819 (E_RNA)
where:
Base-Base interactions energy: -245.768
where: short stacking energy: -98.299
Base-Backbone interact. energy: -3.095
local terms energy: -114.037581
where:
bonds (distance) C4'-P energy: -22.479
bonds (distance) P-C4' energy: -17.168
flat angles C4'-P-C4' energy: -23.903
flat angles P-C4'-P energy: -22.130
tors. eta vs tors. theta energy: -28.358
Dist. restrs. and SS energy: -50.400 (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: 491
Temperature: 0.950000
Total energy: -406.528845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.528845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.728845 (E_RNA)
where:
Base-Base interactions energy: -250.042
where: short stacking energy: -98.462
Base-Backbone interact. energy: -1.790
local terms energy: -107.897029
where:
bonds (distance) C4'-P energy: -25.415
bonds (distance) P-C4' energy: -19.752
flat angles C4'-P-C4' energy: -20.018
flat angles P-C4'-P energy: -17.409
tors. eta vs tors. theta energy: -25.303
Dist. restrs. and SS energy: -46.800 (S_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: 491
Temperature: 1.000000
Total energy: -398.221223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.221223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.821223 (E_RNA)
where:
Base-Base interactions energy: -240.480
where: short stacking energy: -94.629
Base-Backbone interact. energy: -0.511
local terms energy: -106.830197
where:
bonds (distance) C4'-P energy: -15.035
bonds (distance) P-C4' energy: -20.850
flat angles C4'-P-C4' energy: -26.723
flat angles P-C4'-P energy: -17.319
tors. eta vs tors. theta energy: -26.904
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -389.478946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.478946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.078946 (E_RNA)
where:
Base-Base interactions energy: -234.020
where: short stacking energy: -96.464
Base-Backbone interact. energy: -0.207
local terms energy: -104.852346
where:
bonds (distance) C4'-P energy: -23.851
bonds (distance) P-C4' energy: -20.277
flat angles C4'-P-C4' energy: -19.643
flat angles P-C4'-P energy: -14.825
tors. eta vs tors. theta energy: -26.256
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -389.636822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.636822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.036822 (E_RNA)
where:
Base-Base interactions energy: -229.404
where: short stacking energy: -85.898
Base-Backbone interact. energy: -1.053
local terms energy: -110.580207
where:
bonds (distance) C4'-P energy: -24.060
bonds (distance) P-C4' energy: -19.629
flat angles C4'-P-C4' energy: -22.457
flat angles P-C4'-P energy: -19.891
tors. eta vs tors. theta energy: -24.543
Dist. restrs. and SS energy: -48.600 (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: 491
Temperature: 1.150000
Total energy: -368.807847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.807847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.407847 (E_RNA)
where:
Base-Base interactions energy: -217.909
where: short stacking energy: -85.501
Base-Backbone interact. energy: -0.462
local terms energy: -100.036236
where:
bonds (distance) C4'-P energy: -16.751
bonds (distance) P-C4' energy: -18.499
flat angles C4'-P-C4' energy: -22.883
flat angles P-C4'-P energy: -16.573
tors. eta vs tors. theta energy: -25.330
Dist. restrs. and SS energy: -50.400 (S_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: 491
Temperature: 1.200000
Total energy: -290.957782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.957782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.957782 (E_RNA)
where:
Base-Base interactions energy: -174.963
where: short stacking energy: -69.538
Base-Backbone interact. energy: -1.449
local terms energy: -78.546200
where:
bonds (distance) C4'-P energy: -19.228
bonds (distance) P-C4' energy: -20.552
flat angles C4'-P-C4' energy: -11.945
flat angles P-C4'-P energy: -10.921
tors. eta vs tors. theta energy: -15.901
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -272.298210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.298210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.298210 (E_RNA)
where:
Base-Base interactions energy: -149.395
where: short stacking energy: -69.960
Base-Backbone interact. energy: -0.227
local terms energy: -86.675790
where:
bonds (distance) C4'-P energy: -19.742
bonds (distance) P-C4' energy: -17.785
flat angles C4'-P-C4' energy: -24.103
flat angles P-C4'-P energy: -9.533
tors. eta vs tors. theta energy: -15.514
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -264.592993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.592993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.192993 (E_RNA)
where:
Base-Base interactions energy: -144.271
where: short stacking energy: -67.694
Base-Backbone interact. energy: 0.093
local terms energy: -88.014687
where:
bonds (distance) C4'-P energy: -23.564
bonds (distance) P-C4' energy: -18.904
flat angles C4'-P-C4' energy: -17.395
flat angles P-C4'-P energy: -15.025
tors. eta vs tors. theta energy: -13.126
Dist. restrs. and SS energy: -32.400 (S_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: 491
Temperature: 1.350000
Total energy: -274.723730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.723730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.723730 (E_RNA)
where:
Base-Base interactions energy: -154.209
where: short stacking energy: -68.843
Base-Backbone interact. energy: -0.047
local terms energy: -84.467657
where:
bonds (distance) C4'-P energy: -17.269
bonds (distance) P-C4' energy: -23.778
flat angles C4'-P-C4' energy: -16.598
flat angles P-C4'-P energy: -12.651
tors. eta vs tors. theta energy: -14.172
Dist. restrs. and SS energy: -36.000 (S_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: -420.301803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.301803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.901803 (E_RNA)
where:
Base-Base interactions energy: -258.278
where: short stacking energy: -107.941
Base-Backbone interact. energy: -0.748
local terms energy: -110.875487
where:
bonds (distance) C4'-P energy: -22.379
bonds (distance) P-C4' energy: -21.238
flat angles C4'-P-C4' energy: -24.649
flat angles P-C4'-P energy: -12.822
tors. eta vs tors. theta energy: -29.787
Dist. restrs. and SS energy: -50.400 (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: 492
Temperature: 0.950000
Total energy: -406.420058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.420058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.820058 (E_RNA)
where:
Base-Base interactions energy: -240.780
where: short stacking energy: -93.639
Base-Backbone interact. energy: -0.701
local terms energy: -116.339718
where:
bonds (distance) C4'-P energy: -25.865
bonds (distance) P-C4' energy: -21.655
flat angles C4'-P-C4' energy: -18.133
flat angles P-C4'-P energy: -20.052
tors. eta vs tors. theta energy: -30.635
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -385.242072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.242072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.842072 (E_RNA)
where:
Base-Base interactions energy: -238.209
where: short stacking energy: -88.238
Base-Backbone interact. energy: -0.298
local terms energy: -96.334598
where:
bonds (distance) C4'-P energy: -23.029
bonds (distance) P-C4' energy: -16.084
flat angles C4'-P-C4' energy: -23.580
flat angles P-C4'-P energy: -11.996
tors. eta vs tors. theta energy: -21.647
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -374.621984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.621984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.221984 (E_RNA)
where:
Base-Base interactions energy: -222.889
where: short stacking energy: -83.332
Base-Backbone interact. energy: -0.478
local terms energy: -100.855105
where:
bonds (distance) C4'-P energy: -20.815
bonds (distance) P-C4' energy: -23.343
flat angles C4'-P-C4' energy: -25.553
flat angles P-C4'-P energy: -9.908
tors. eta vs tors. theta energy: -21.235
Dist. restrs. and SS energy: -50.400 (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: 492
Temperature: 1.100000
Total energy: -386.710825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.710825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.310825 (E_RNA)
where:
Base-Base interactions energy: -236.032
where: short stacking energy: -98.351
Base-Backbone interact. energy: -0.527
local terms energy: -99.751828
where:
bonds (distance) C4'-P energy: -17.453
bonds (distance) P-C4' energy: -19.146
flat angles C4'-P-C4' energy: -24.274
flat angles P-C4'-P energy: -13.071
tors. eta vs tors. theta energy: -25.808
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -388.020612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.020612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.620612 (E_RNA)
where:
Base-Base interactions energy: -231.306
where: short stacking energy: -84.415
Base-Backbone interact. energy: -1.633
local terms energy: -104.682391
where:
bonds (distance) C4'-P energy: -19.171
bonds (distance) P-C4' energy: -18.099
flat angles C4'-P-C4' energy: -21.731
flat angles P-C4'-P energy: -16.861
tors. eta vs tors. theta energy: -28.821
Dist. restrs. and SS energy: -50.400 (S_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: 492
Temperature: 1.200000
Total energy: -265.207744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.207744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.207744 (E_RNA)
where:
Base-Base interactions energy: -149.759
where: short stacking energy: -77.082
Base-Backbone interact. energy: -0.235
local terms energy: -79.213453
where:
bonds (distance) C4'-P energy: -22.399
bonds (distance) P-C4' energy: -13.527
flat angles C4'-P-C4' energy: -19.921
flat angles P-C4'-P energy: -10.992
tors. eta vs tors. theta energy: -12.375
Dist. restrs. and SS energy: -36.000 (S_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: 492
Temperature: 1.250000
Total energy: -286.274322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.274322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.274322 (E_RNA)
where:
Base-Base interactions energy: -169.191
where: short stacking energy: -73.889
Base-Backbone interact. energy: -0.264
local terms energy: -80.818817
where:
bonds (distance) C4'-P energy: -25.388
bonds (distance) P-C4' energy: -22.335
flat angles C4'-P-C4' energy: -12.049
flat angles P-C4'-P energy: -4.476
tors. eta vs tors. theta energy: -16.571
Dist. restrs. and SS energy: -36.000 (S_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: 492
Temperature: 1.300000
Total energy: -257.652842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.652842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.652842 (E_RNA)
where:
Base-Base interactions energy: -148.048
where: short stacking energy: -59.848
Base-Backbone interact. energy: 0.660
local terms energy: -74.264903
where:
bonds (distance) C4'-P energy: -18.538
bonds (distance) P-C4' energy: -19.228
flat angles C4'-P-C4' energy: -12.489
flat angles P-C4'-P energy: -14.909
tors. eta vs tors. theta energy: -9.102
Dist. restrs. and SS energy: -36.000 (S_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: 492
Temperature: 1.350000
Total energy: -255.051674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.051674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.051674 (E_RNA)
where:
Base-Base interactions energy: -139.615
where: short stacking energy: -67.751
Base-Backbone interact. energy: -0.086
local terms energy: -79.350562
where:
bonds (distance) C4'-P energy: -12.924
bonds (distance) P-C4' energy: -23.844
flat angles C4'-P-C4' energy: -19.968
flat angles P-C4'-P energy: -11.657
tors. eta vs tors. theta energy: -10.958
Dist. restrs. and SS energy: -36.000 (S_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: -416.102841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.102841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.702841 (E_RNA)
where:
Base-Base interactions energy: -253.944
where: short stacking energy: -99.137
Base-Backbone interact. energy: -0.505
local terms energy: -111.254167
where:
bonds (distance) C4'-P energy: -22.977
bonds (distance) P-C4' energy: -24.324
flat angles C4'-P-C4' energy: -22.798
flat angles P-C4'-P energy: -11.952
tors. eta vs tors. theta energy: -29.204
Dist. restrs. and SS energy: -50.400 (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: 493
Temperature: 0.950000
Total energy: -402.864224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.864224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.264224 (E_RNA)
where:
Base-Base interactions energy: -235.234
where: short stacking energy: -93.997
Base-Backbone interact. energy: -1.764
local terms energy: -117.266347
where:
bonds (distance) C4'-P energy: -25.107
bonds (distance) P-C4' energy: -22.539
flat angles C4'-P-C4' energy: -23.377
flat angles P-C4'-P energy: -15.715
tors. eta vs tors. theta energy: -30.528
Dist. restrs. and SS energy: -48.600 (S_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: 493
Temperature: 1.000000
Total energy: -399.593333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.593333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.793333 (E_RNA)
where:
Base-Base interactions energy: -246.557
where: short stacking energy: -95.114
Base-Backbone interact. energy: -0.727
local terms energy: -105.509012
where:
bonds (distance) C4'-P energy: -19.379
bonds (distance) P-C4' energy: -19.846
flat angles C4'-P-C4' energy: -23.811
flat angles P-C4'-P energy: -18.302
tors. eta vs tors. theta energy: -24.171
Dist. restrs. and SS energy: -46.800 (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: 8
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -405.023974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.023974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.423974 (E_RNA)
where:
Base-Base interactions energy: -246.068
where: short stacking energy: -100.587
Base-Backbone interact. energy: -0.636
local terms energy: -109.719856
where:
bonds (distance) C4'-P energy: -20.289
bonds (distance) P-C4' energy: -19.026
flat angles C4'-P-C4' energy: -25.595
flat angles P-C4'-P energy: -16.358
tors. eta vs tors. theta energy: -28.452
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -381.000157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.000157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.600157 (E_RNA)
where:
Base-Base interactions energy: -220.686
where: short stacking energy: -92.166
Base-Backbone interact. energy: -3.088
local terms energy: -106.826762
where:
bonds (distance) C4'-P energy: -24.934
bonds (distance) P-C4' energy: -18.892
flat angles C4'-P-C4' energy: -23.286
flat angles P-C4'-P energy: -13.816
tors. eta vs tors. theta energy: -25.899
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -384.594781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.594781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.994781 (E_RNA)
where:
Base-Base interactions energy: -231.157
where: short stacking energy: -94.732
Base-Backbone interact. energy: -2.858
local terms energy: -101.979579
where:
bonds (distance) C4'-P energy: -21.683
bonds (distance) P-C4' energy: -22.979
flat angles C4'-P-C4' energy: -19.570
flat angles P-C4'-P energy: -10.870
tors. eta vs tors. theta energy: -26.878
Dist. restrs. and SS energy: -48.600 (S_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: 493
Temperature: 1.200000
Total energy: -267.834344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.834344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.834344 (E_RNA)
where:
Base-Base interactions energy: -150.854
where: short stacking energy: -67.442
Base-Backbone interact. energy: -0.812
local terms energy: -80.168237
where:
bonds (distance) C4'-P energy: -17.373
bonds (distance) P-C4' energy: -18.400
flat angles C4'-P-C4' energy: -20.923
flat angles P-C4'-P energy: -9.620
tors. eta vs tors. theta energy: -13.853
Dist. restrs. and SS energy: -36.000 (S_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: 493
Temperature: 1.250000
Total energy: -292.239020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.239020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.039020 (E_RNA)
where:
Base-Base interactions energy: -170.437
where: short stacking energy: -68.128
Base-Backbone interact. energy: -0.452
local terms energy: -87.150197
where:
bonds (distance) C4'-P energy: -17.875
bonds (distance) P-C4' energy: -18.575
flat angles C4'-P-C4' energy: -18.794
flat angles P-C4'-P energy: -20.865
tors. eta vs tors. theta energy: -11.041
Dist. restrs. and SS energy: -34.200 (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: 4
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -252.610174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.610174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.610174 (E_RNA)
where:
Base-Base interactions energy: -133.050
where: short stacking energy: -54.856
Base-Backbone interact. energy: -0.538
local terms energy: -83.022151
where:
bonds (distance) C4'-P energy: -24.280
bonds (distance) P-C4' energy: -21.004
flat angles C4'-P-C4' energy: -16.041
flat angles P-C4'-P energy: -12.324
tors. eta vs tors. theta energy: -9.373
Dist. restrs. and SS energy: -36.000 (S_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: 493
Temperature: 1.350000
Total energy: -243.806148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.806148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.806148 (E_RNA)
where:
Base-Base interactions energy: -118.315
where: short stacking energy: -46.162
Base-Backbone interact. energy: -0.753
local terms energy: -88.737669
where:
bonds (distance) C4'-P energy: -23.469
bonds (distance) P-C4' energy: -20.643
flat angles C4'-P-C4' energy: -22.521
flat angles P-C4'-P energy: -12.724
tors. eta vs tors. theta energy: -9.382
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -411.912410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.912410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.512410 (E_RNA)
where:
Base-Base interactions energy: -243.514
where: short stacking energy: -96.248
Base-Backbone interact. energy: -1.682
local terms energy: -116.316638
where:
bonds (distance) C4'-P energy: -25.211
bonds (distance) P-C4' energy: -20.451
flat angles C4'-P-C4' energy: -24.097
flat angles P-C4'-P energy: -16.870
tors. eta vs tors. theta energy: -29.687
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -408.202931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.202931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.802931 (E_RNA)
where:
Base-Base interactions energy: -247.431
where: short stacking energy: -93.174
Base-Backbone interact. energy: -0.970
local terms energy: -109.402152
where:
bonds (distance) C4'-P energy: -23.882
bonds (distance) P-C4' energy: -21.386
flat angles C4'-P-C4' energy: -19.939
flat angles P-C4'-P energy: -17.600
tors. eta vs tors. theta energy: -26.595
Dist. restrs. and SS energy: -50.400 (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: 494
Temperature: 1.000000
Total energy: -398.375169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.375169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.975169 (E_RNA)
where:
Base-Base interactions energy: -242.046
where: short stacking energy: -98.044
Base-Backbone interact. energy: -0.765
local terms energy: -105.163587
where:
bonds (distance) C4'-P energy: -21.115
bonds (distance) P-C4' energy: -20.996
flat angles C4'-P-C4' energy: -23.555
flat angles P-C4'-P energy: -15.436
tors. eta vs tors. theta energy: -24.062
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -404.112346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.112346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.312346 (E_RNA)
where:
Base-Base interactions energy: -252.511
where: short stacking energy: -94.473
Base-Backbone interact. energy: -0.874
local terms energy: -103.926432
where:
bonds (distance) C4'-P energy: -20.366
bonds (distance) P-C4' energy: -19.827
flat angles C4'-P-C4' energy: -25.465
flat angles P-C4'-P energy: -13.076
tors. eta vs tors. theta energy: -25.192
Dist. restrs. and SS energy: -46.800 (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: 7
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -390.417812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.417812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.017812 (E_RNA)
where:
Base-Base interactions energy: -226.893
where: short stacking energy: -83.856
Base-Backbone interact. energy: -1.438
local terms energy: -111.686959
where:
bonds (distance) C4'-P energy: -21.626
bonds (distance) P-C4' energy: -25.166
flat angles C4'-P-C4' energy: -23.316
flat angles P-C4'-P energy: -15.784
tors. eta vs tors. theta energy: -25.794
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -375.063546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.063546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.463546 (E_RNA)
where:
Base-Base interactions energy: -230.203
where: short stacking energy: -90.577
Base-Backbone interact. energy: -0.020
local terms energy: -96.240620
where:
bonds (distance) C4'-P energy: -13.673
bonds (distance) P-C4' energy: -19.358
flat angles C4'-P-C4' energy: -23.600
flat angles P-C4'-P energy: -14.788
tors. eta vs tors. theta energy: -24.823
Dist. restrs. and SS energy: -48.600 (S_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: 494
Temperature: 1.200000
Total energy: -289.294753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.294753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.094753 (E_RNA)
where:
Base-Base interactions energy: -170.567
where: short stacking energy: -70.411
Base-Backbone interact. energy: -0.240
local terms energy: -84.288590
where:
bonds (distance) C4'-P energy: -17.631
bonds (distance) P-C4' energy: -24.241
flat angles C4'-P-C4' energy: -22.773
flat angles P-C4'-P energy: -5.059
tors. eta vs tors. theta energy: -14.585
Dist. restrs. and SS energy: -34.200 (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: 2
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -263.461742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.461742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.261742 (E_RNA)
where:
Base-Base interactions energy: -141.866
where: short stacking energy: -68.413
Base-Backbone interact. energy: 1.079
local terms energy: -88.474975
where:
bonds (distance) C4'-P energy: -14.527
bonds (distance) P-C4' energy: -20.808
flat angles C4'-P-C4' energy: -21.420
flat angles P-C4'-P energy: -16.572
tors. eta vs tors. theta energy: -15.148
Dist. restrs. and SS energy: -34.200 (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: 3
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -268.300557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.300557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.100557 (E_RNA)
where:
Base-Base interactions energy: -141.714
where: short stacking energy: -64.969
Base-Backbone interact. energy: -0.118
local terms energy: -92.269182
where:
bonds (distance) C4'-P energy: -20.543
bonds (distance) P-C4' energy: -25.632
flat angles C4'-P-C4' energy: -20.116
flat angles P-C4'-P energy: -14.120
tors. eta vs tors. theta energy: -11.858
Dist. restrs. and SS energy: -34.200 (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: 4
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -260.709029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.709029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.709029 (E_RNA)
where:
Base-Base interactions energy: -145.383
where: short stacking energy: -65.647
Base-Backbone interact. energy: -0.462
local terms energy: -78.864186
where:
bonds (distance) C4'-P energy: -10.315
bonds (distance) P-C4' energy: -23.316
flat angles C4'-P-C4' energy: -17.401
flat angles P-C4'-P energy: -15.896
tors. eta vs tors. theta energy: -11.935
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -414.659522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.659522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.259522 (E_RNA)
where:
Base-Base interactions energy: -245.044
where: short stacking energy: -97.448
Base-Backbone interact. energy: -1.263
local terms energy: -117.953144
where:
bonds (distance) C4'-P energy: -24.778
bonds (distance) P-C4' energy: -20.674
flat angles C4'-P-C4' energy: -25.134
flat angles P-C4'-P energy: -15.179
tors. eta vs tors. theta energy: -32.189
Dist. restrs. and SS energy: -50.400 (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: 8
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -410.051603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.051603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.651603 (E_RNA)
where:
Base-Base interactions energy: -250.101
where: short stacking energy: -107.811
Base-Backbone interact. energy: -0.571
local terms energy: -108.979751
where:
bonds (distance) C4'-P energy: -18.380
bonds (distance) P-C4' energy: -26.903
flat angles C4'-P-C4' energy: -21.204
flat angles P-C4'-P energy: -17.859
tors. eta vs tors. theta energy: -24.634
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -401.265584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.265584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.865584 (E_RNA)
where:
Base-Base interactions energy: -241.918
where: short stacking energy: -96.358
Base-Backbone interact. energy: -2.150
local terms energy: -106.797977
where:
bonds (distance) C4'-P energy: -18.042
bonds (distance) P-C4' energy: -24.968
flat angles C4'-P-C4' energy: -23.075
flat angles P-C4'-P energy: -13.424
tors. eta vs tors. theta energy: -27.290
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -395.665772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.665772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.065772 (E_RNA)
where:
Base-Base interactions energy: -247.986
where: short stacking energy: -92.638
Base-Backbone interact. energy: -0.732
local terms energy: -98.348049
where:
bonds (distance) C4'-P energy: -11.765
bonds (distance) P-C4' energy: -24.763
flat angles C4'-P-C4' energy: -23.719
flat angles P-C4'-P energy: -11.416
tors. eta vs tors. theta energy: -26.685
Dist. restrs. and SS energy: -48.600 (S_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: 495
Temperature: 1.100000
Total energy: -396.602950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.602950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.202950 (E_RNA)
where:
Base-Base interactions energy: -238.943
where: short stacking energy: -83.761
Base-Backbone interact. energy: -1.009
local terms energy: -106.250860
where:
bonds (distance) C4'-P energy: -19.783
bonds (distance) P-C4' energy: -24.006
flat angles C4'-P-C4' energy: -23.305
flat angles P-C4'-P energy: -11.734
tors. eta vs tors. theta energy: -27.422
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -340.582562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.582562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.182562 (E_RNA)
where:
Base-Base interactions energy: -195.551
where: short stacking energy: -77.826
Base-Backbone interact. energy: -0.083
local terms energy: -94.548518
where:
bonds (distance) C4'-P energy: -16.914
bonds (distance) P-C4' energy: -19.185
flat angles C4'-P-C4' energy: -20.463
flat angles P-C4'-P energy: -17.669
tors. eta vs tors. theta energy: -20.318
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -293.312000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.312000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.312000 (E_RNA)
where:
Base-Base interactions energy: -169.438
where: short stacking energy: -73.761
Base-Backbone interact. energy: -0.115
local terms energy: -87.759123
where:
bonds (distance) C4'-P energy: -23.244
bonds (distance) P-C4' energy: -16.635
flat angles C4'-P-C4' energy: -20.657
flat angles P-C4'-P energy: -11.913
tors. eta vs tors. theta energy: -15.310
Dist. restrs. and SS energy: -36.000 (S_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: 495
Temperature: 1.250000
Total energy: -274.597243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.597243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.597243 (E_RNA)
where:
Base-Base interactions energy: -157.125
where: short stacking energy: -62.339
Base-Backbone interact. energy: -0.222
local terms energy: -81.250323
where:
bonds (distance) C4'-P energy: -18.924
bonds (distance) P-C4' energy: -23.313
flat angles C4'-P-C4' energy: -19.319
flat angles P-C4'-P energy: -9.385
tors. eta vs tors. theta energy: -10.310
Dist. restrs. and SS energy: -36.000 (S_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: 495
Temperature: 1.300000
Total energy: -267.199819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.199819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.199819 (E_RNA)
where:
Base-Base interactions energy: -144.518
where: short stacking energy: -68.269
Base-Backbone interact. energy: -0.112
local terms energy: -86.569483
where:
bonds (distance) C4'-P energy: -19.493
bonds (distance) P-C4' energy: -19.721
flat angles C4'-P-C4' energy: -19.892
flat angles P-C4'-P energy: -15.231
tors. eta vs tors. theta energy: -12.233
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -242.462224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.462224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.462224 (E_RNA)
where:
Base-Base interactions energy: -139.588
where: short stacking energy: -56.540
Base-Backbone interact. energy: 0.042
local terms energy: -66.915824
where:
bonds (distance) C4'-P energy: -14.891
bonds (distance) P-C4' energy: -17.219
flat angles C4'-P-C4' energy: -19.632
flat angles P-C4'-P energy: -9.584
tors. eta vs tors. theta energy: -5.590
Dist. restrs. and SS energy: -36.000 (S_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: 496
Temperature: 0.900000
Total energy: -414.229179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.229179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.829179 (E_RNA)
where:
Base-Base interactions energy: -250.700
where: short stacking energy: -108.439
Base-Backbone interact. energy: -0.445
local terms energy: -112.684210
where:
bonds (distance) C4'-P energy: -14.410
bonds (distance) P-C4' energy: -24.399
flat angles C4'-P-C4' energy: -27.632
flat angles P-C4'-P energy: -15.291
tors. eta vs tors. theta energy: -30.952
Dist. restrs. and SS energy: -50.400 (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: 496
Temperature: 0.950000
Total energy: -418.414720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.414720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.014720 (E_RNA)
where:
Base-Base interactions energy: -252.225
where: short stacking energy: -89.350
Base-Backbone interact. energy: -0.330
local terms energy: -115.460470
where:
bonds (distance) C4'-P energy: -21.316
bonds (distance) P-C4' energy: -24.150
flat angles C4'-P-C4' energy: -23.825
flat angles P-C4'-P energy: -18.199
tors. eta vs tors. theta energy: -27.970
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -397.043033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.043033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.243033 (E_RNA)
where:
Base-Base interactions energy: -250.551
where: short stacking energy: -96.570
Base-Backbone interact. energy: -0.499
local terms energy: -99.192453
where:
bonds (distance) C4'-P energy: -19.461
bonds (distance) P-C4' energy: -16.891
flat angles C4'-P-C4' energy: -19.450
flat angles P-C4'-P energy: -16.621
tors. eta vs tors. theta energy: -26.769
Dist. restrs. and SS energy: -46.800 (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: 10
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -401.417334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.417334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.017334 (E_RNA)
where:
Base-Base interactions energy: -250.584
where: short stacking energy: -98.781
Base-Backbone interact. energy: -0.774
local terms energy: -99.659406
where:
bonds (distance) C4'-P energy: -16.629
bonds (distance) P-C4' energy: -21.206
flat angles C4'-P-C4' energy: -19.520
flat angles P-C4'-P energy: -15.433
tors. eta vs tors. theta energy: -26.872
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -343.638631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.638631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.238631 (E_RNA)
where:
Base-Base interactions energy: -198.924
where: short stacking energy: -78.709
Base-Backbone interact. energy: 1.152
local terms energy: -95.465811
where:
bonds (distance) C4'-P energy: -24.301
bonds (distance) P-C4' energy: -19.411
flat angles C4'-P-C4' energy: -20.962
flat angles P-C4'-P energy: -14.877
tors. eta vs tors. theta energy: -15.916
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -383.012042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.012042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.612042 (E_RNA)
where:
Base-Base interactions energy: -230.676
where: short stacking energy: -78.675
Base-Backbone interact. energy: -0.623
local terms energy: -101.312807
where:
bonds (distance) C4'-P energy: -20.122
bonds (distance) P-C4' energy: -21.246
flat angles C4'-P-C4' energy: -21.836
flat angles P-C4'-P energy: -13.378
tors. eta vs tors. theta energy: -24.731
Dist. restrs. and SS energy: -50.400 (S_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: 496
Temperature: 1.200000
Total energy: -271.840540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.840540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.840540 (E_RNA)
where:
Base-Base interactions energy: -159.862
where: short stacking energy: -66.433
Base-Backbone interact. energy: -0.727
local terms energy: -75.250940
where:
bonds (distance) C4'-P energy: -11.247
bonds (distance) P-C4' energy: -20.066
flat angles C4'-P-C4' energy: -21.683
flat angles P-C4'-P energy: -13.576
tors. eta vs tors. theta energy: -8.679
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -275.683244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.683244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.683244 (E_RNA)
where:
Base-Base interactions energy: -161.920
where: short stacking energy: -71.064
Base-Backbone interact. energy: -0.342
local terms energy: -77.420705
where:
bonds (distance) C4'-P energy: -17.494
bonds (distance) P-C4' energy: -18.140
flat angles C4'-P-C4' energy: -16.132
flat angles P-C4'-P energy: -16.609
tors. eta vs tors. theta energy: -9.046
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -275.798375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.798375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.798375 (E_RNA)
where:
Base-Base interactions energy: -146.497
where: short stacking energy: -65.509
Base-Backbone interact. energy: -0.690
local terms energy: -92.611651
where:
bonds (distance) C4'-P energy: -23.508
bonds (distance) P-C4' energy: -21.304
flat angles C4'-P-C4' energy: -17.147
flat angles P-C4'-P energy: -14.868
tors. eta vs tors. theta energy: -15.784
Dist. restrs. and SS energy: -36.000 (S_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: 496
Temperature: 1.350000
Total energy: -249.355575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.355575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.355575 (E_RNA)
where:
Base-Base interactions energy: -134.171
where: short stacking energy: -52.273
Base-Backbone interact. energy: 0.422
local terms energy: -79.607216
where:
bonds (distance) C4'-P energy: -22.354
bonds (distance) P-C4' energy: -23.353
flat angles C4'-P-C4' energy: -14.131
flat angles P-C4'-P energy: -11.771
tors. eta vs tors. theta energy: -7.998
Dist. restrs. and SS energy: -36.000 (S_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: 497
Temperature: 0.900000
Total energy: -410.142204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.142204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.742204 (E_RNA)
where:
Base-Base interactions energy: -245.265
where: short stacking energy: -104.894
Base-Backbone interact. energy: -0.746
local terms energy: -113.731762
where:
bonds (distance) C4'-P energy: -23.014
bonds (distance) P-C4' energy: -23.240
flat angles C4'-P-C4' energy: -24.082
flat angles P-C4'-P energy: -16.277
tors. eta vs tors. theta energy: -27.118
Dist. restrs. and SS energy: -50.400 (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: 497
Temperature: 0.950000
Total energy: -408.520264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.520264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.120264 (E_RNA)
where:
Base-Base interactions energy: -242.460
where: short stacking energy: -96.849
Base-Backbone interact. energy: -0.315
local terms energy: -115.345510
where:
bonds (distance) C4'-P energy: -25.003
bonds (distance) P-C4' energy: -20.200
flat angles C4'-P-C4' energy: -25.357
flat angles P-C4'-P energy: -16.011
tors. eta vs tors. theta energy: -28.774
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -401.244307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.244307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.844307 (E_RNA)
where:
Base-Base interactions energy: -246.603
where: short stacking energy: -93.789
Base-Backbone interact. energy: -1.743
local terms energy: -102.497942
where:
bonds (distance) C4'-P energy: -16.759
bonds (distance) P-C4' energy: -19.235
flat angles C4'-P-C4' energy: -23.978
flat angles P-C4'-P energy: -15.771
tors. eta vs tors. theta energy: -26.755
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -395.841645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.841645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.441645 (E_RNA)
where:
Base-Base interactions energy: -233.981
where: short stacking energy: -88.595
Base-Backbone interact. energy: -0.802
local terms energy: -110.658397
where:
bonds (distance) C4'-P energy: -21.975
bonds (distance) P-C4' energy: -21.786
flat angles C4'-P-C4' energy: -23.611
flat angles P-C4'-P energy: -18.069
tors. eta vs tors. theta energy: -25.218
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -343.798753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.798753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.398753 (E_RNA)
where:
Base-Base interactions energy: -205.971
where: short stacking energy: -68.451
Base-Backbone interact. energy: -0.026
local terms energy: -87.401931
where:
bonds (distance) C4'-P energy: -19.444
bonds (distance) P-C4' energy: -14.672
flat angles C4'-P-C4' energy: -20.094
flat angles P-C4'-P energy: -17.616
tors. eta vs tors. theta energy: -15.576
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -375.010043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.010043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.610043 (E_RNA)
where:
Base-Base interactions energy: -232.733
where: short stacking energy: -91.409
Base-Backbone interact. energy: -0.594
local terms energy: -91.283023
where:
bonds (distance) C4'-P energy: -13.218
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -24.141
flat angles P-C4'-P energy: -14.287
tors. eta vs tors. theta energy: -22.783
Dist. restrs. and SS energy: -50.400 (S_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: 497
Temperature: 1.200000
Total energy: -275.432881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.432881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.432881 (E_RNA)
where:
Base-Base interactions energy: -152.006
where: short stacking energy: -68.391
Base-Backbone interact. energy: -0.435
local terms energy: -86.992349
where:
bonds (distance) C4'-P energy: -18.782
bonds (distance) P-C4' energy: -20.686
flat angles C4'-P-C4' energy: -21.742
flat angles P-C4'-P energy: -14.716
tors. eta vs tors. theta energy: -11.067
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -280.774492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.774492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.574492 (E_RNA)
where:
Base-Base interactions energy: -155.805
where: short stacking energy: -76.486
Base-Backbone interact. energy: 0.249
local terms energy: -91.018662
where:
bonds (distance) C4'-P energy: -21.990
bonds (distance) P-C4' energy: -17.707
flat angles C4'-P-C4' energy: -21.362
flat angles P-C4'-P energy: -12.269
tors. eta vs tors. theta energy: -17.690
Dist. restrs. and SS energy: -34.200 (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: 6
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -259.810100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.810100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.810100 (E_RNA)
where:
Base-Base interactions energy: -134.752
where: short stacking energy: -59.555
Base-Backbone interact. energy: -0.070
local terms energy: -88.988190
where:
bonds (distance) C4'-P energy: -15.729
bonds (distance) P-C4' energy: -19.886
flat angles C4'-P-C4' energy: -21.283
flat angles P-C4'-P energy: -14.487
tors. eta vs tors. theta energy: -17.603
Dist. restrs. and SS energy: -36.000 (S_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: 497
Temperature: 1.350000
Total energy: -271.925468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.925468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.925468 (E_RNA)
where:
Base-Base interactions energy: -140.131
where: short stacking energy: -71.480
Base-Backbone interact. energy: -1.066
local terms energy: -94.728346
where:
bonds (distance) C4'-P energy: -13.072
bonds (distance) P-C4' energy: -21.562
flat angles C4'-P-C4' energy: -23.858
flat angles P-C4'-P energy: -18.308
tors. eta vs tors. theta energy: -17.929
Dist. restrs. and SS energy: -36.000 (S_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: 498
Temperature: 0.900000
Total energy: -424.020370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.020370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.620370 (E_RNA)
where:
Base-Base interactions energy: -261.912
where: short stacking energy: -98.856
Base-Backbone interact. energy: -1.773
local terms energy: -109.935226
where:
bonds (distance) C4'-P energy: -24.209
bonds (distance) P-C4' energy: -20.929
flat angles C4'-P-C4' energy: -22.481
flat angles P-C4'-P energy: -16.839
tors. eta vs tors. theta energy: -25.478
Dist. restrs. and SS energy: -50.400 (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: 498
Temperature: 0.950000
Total energy: -406.262256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.262256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.262256 (E_RNA)
where:
Base-Base interactions energy: -243.957
where: short stacking energy: -98.205
Base-Backbone interact. energy: -0.938
local terms energy: -116.367062
where:
bonds (distance) C4'-P energy: -21.943
bonds (distance) P-C4' energy: -24.417
flat angles C4'-P-C4' energy: -26.580
flat angles P-C4'-P energy: -17.106
tors. eta vs tors. theta energy: -26.321
Dist. restrs. and SS energy: -45.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -410.115250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.115250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.715250 (E_RNA)
where:
Base-Base interactions energy: -248.001
where: short stacking energy: -95.473
Base-Backbone interact. energy: -0.598
local terms energy: -111.115503
where:
bonds (distance) C4'-P energy: -21.170
bonds (distance) P-C4' energy: -23.627
flat angles C4'-P-C4' energy: -25.584
flat angles P-C4'-P energy: -11.521
tors. eta vs tors. theta energy: -29.214
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -387.054624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.054624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.654624 (E_RNA)
where:
Base-Base interactions energy: -240.428
where: short stacking energy: -93.724
Base-Backbone interact. energy: -0.150
local terms energy: -96.076485
where:
bonds (distance) C4'-P energy: -24.196
bonds (distance) P-C4' energy: -15.982
flat angles C4'-P-C4' energy: -17.846
flat angles P-C4'-P energy: -13.268
tors. eta vs tors. theta energy: -24.784
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -393.750234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.750234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.150234 (E_RNA)
where:
Base-Base interactions energy: -236.001
where: short stacking energy: -92.939
Base-Backbone interact. energy: 1.970
local terms energy: -111.119913
where:
bonds (distance) C4'-P energy: -19.665
bonds (distance) P-C4' energy: -22.787
flat angles C4'-P-C4' energy: -24.230
flat angles P-C4'-P energy: -16.919
tors. eta vs tors. theta energy: -27.520
Dist. restrs. and SS energy: -48.600 (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: 5
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -337.314026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.314026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.914026 (E_RNA)
where:
Base-Base interactions energy: -207.720
where: short stacking energy: -81.449
Base-Backbone interact. energy: 0.695
local terms energy: -79.888846
where:
bonds (distance) C4'-P energy: -15.291
bonds (distance) P-C4' energy: -14.905
flat angles C4'-P-C4' energy: -18.928
flat angles P-C4'-P energy: -15.282
tors. eta vs tors. theta energy: -15.483
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -295.760449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.760449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.760449 (E_RNA)
where:
Base-Base interactions energy: -168.899
where: short stacking energy: -80.921
Base-Backbone interact. energy: -0.058
local terms energy: -90.803636
where:
bonds (distance) C4'-P energy: -17.572
bonds (distance) P-C4' energy: -20.502
flat angles C4'-P-C4' energy: -21.078
flat angles P-C4'-P energy: -10.774
tors. eta vs tors. theta energy: -20.879
Dist. restrs. and SS energy: -36.000 (S_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: 498
Temperature: 1.250000
Total energy: -279.735217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.735217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.735217 (E_RNA)
where:
Base-Base interactions energy: -148.343
where: short stacking energy: -74.051
Base-Backbone interact. energy: -0.312
local terms energy: -95.079384
where:
bonds (distance) C4'-P energy: -24.532
bonds (distance) P-C4' energy: -18.695
flat angles C4'-P-C4' energy: -24.164
flat angles P-C4'-P energy: -13.846
tors. eta vs tors. theta energy: -13.842
Dist. restrs. and SS energy: -36.000 (S_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: 498
Temperature: 1.300000
Total energy: -264.367195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.367195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.367195 (E_RNA)
where:
Base-Base interactions energy: -148.367
where: short stacking energy: -60.536
Base-Backbone interact. energy: -0.931
local terms energy: -79.068740
where:
bonds (distance) C4'-P energy: -18.659
bonds (distance) P-C4' energy: -21.214
flat angles C4'-P-C4' energy: -20.165
flat angles P-C4'-P energy: -14.748
tors. eta vs tors. theta energy: -4.283
Dist. restrs. and SS energy: -36.000 (S_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: 498
Temperature: 1.350000
Total energy: -243.618856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.618856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.618856 (E_RNA)
where:
Base-Base interactions energy: -139.121
where: short stacking energy: -57.297
Base-Backbone interact. energy: -0.344
local terms energy: -68.154236
where:
bonds (distance) C4'-P energy: -15.611
bonds (distance) P-C4' energy: -19.735
flat angles C4'-P-C4' energy: -15.306
flat angles P-C4'-P energy: -10.366
tors. eta vs tors. theta energy: -7.137
Dist. restrs. and SS energy: -36.000 (S_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: 499
Temperature: 0.900000
Total energy: -425.511862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.511862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.111862 (E_RNA)
where:
Base-Base interactions energy: -263.049
where: short stacking energy: -100.489
Base-Backbone interact. energy: 0.174
local terms energy: -112.236998
where:
bonds (distance) C4'-P energy: -24.885
bonds (distance) P-C4' energy: -24.194
flat angles C4'-P-C4' energy: -21.879
flat angles P-C4'-P energy: -16.784
tors. eta vs tors. theta energy: -24.495
Dist. restrs. and SS energy: -50.400 (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: 1
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -403.918251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.918251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.118251 (E_RNA)
where:
Base-Base interactions energy: -246.771
where: short stacking energy: -91.142
Base-Backbone interact. energy: -1.852
local terms energy: -108.495315
where:
bonds (distance) C4'-P energy: -22.317
bonds (distance) P-C4' energy: -19.986
flat angles C4'-P-C4' energy: -20.023
flat angles P-C4'-P energy: -16.409
tors. eta vs tors. theta energy: -29.761
Dist. restrs. and SS energy: -46.800 (S_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: 499
Temperature: 1.000000
Total energy: -401.041439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.041439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.441439 (E_RNA)
where:
Base-Base interactions energy: -245.090
where: short stacking energy: -91.485
Base-Backbone interact. energy: -0.982
local terms energy: -106.368856
where:
bonds (distance) C4'-P energy: -21.037
bonds (distance) P-C4' energy: -25.468
flat angles C4'-P-C4' energy: -17.658
flat angles P-C4'-P energy: -12.259
tors. eta vs tors. theta energy: -29.946
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -363.956610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.956610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.556610 (E_RNA)
where:
Base-Base interactions energy: -210.762
where: short stacking energy: -74.493
Base-Backbone interact. energy: 1.336
local terms energy: -104.131121
where:
bonds (distance) C4'-P energy: -18.597
bonds (distance) P-C4' energy: -20.529
flat angles C4'-P-C4' energy: -26.089
flat angles P-C4'-P energy: -14.933
tors. eta vs tors. theta energy: -23.983
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -395.820076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.820076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.420076 (E_RNA)
where:
Base-Base interactions energy: -238.185
where: short stacking energy: -90.054
Base-Backbone interact. energy: 0.006
local terms energy: -107.241685
where:
bonds (distance) C4'-P energy: -16.218
bonds (distance) P-C4' energy: -23.827
flat angles C4'-P-C4' energy: -23.285
flat angles P-C4'-P energy: -17.583
tors. eta vs tors. theta energy: -26.329
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -338.272576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.272576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.872576 (E_RNA)
where:
Base-Base interactions energy: -208.168
where: short stacking energy: -83.013
Base-Backbone interact. energy: -0.511
local terms energy: -79.193747
where:
bonds (distance) C4'-P energy: -14.636
bonds (distance) P-C4' energy: -17.672
flat angles C4'-P-C4' energy: -22.498
flat angles P-C4'-P energy: -10.366
tors. eta vs tors. theta energy: -14.023
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -305.450867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.450867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.450867 (E_RNA)
where:
Base-Base interactions energy: -172.688
where: short stacking energy: -83.252
Base-Backbone interact. energy: -1.009
local terms energy: -95.753533
where:
bonds (distance) C4'-P energy: -18.409
bonds (distance) P-C4' energy: -19.790
flat angles C4'-P-C4' energy: -21.565
flat angles P-C4'-P energy: -13.318
tors. eta vs tors. theta energy: -22.671
Dist. restrs. and SS energy: -36.000 (S_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: 499
Temperature: 1.250000
Total energy: -273.049031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.049031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.849031 (E_RNA)
where:
Base-Base interactions energy: -157.535
where: short stacking energy: -66.665
Base-Backbone interact. energy: -0.092
local terms energy: -81.222133
where:
bonds (distance) C4'-P energy: -22.209
bonds (distance) P-C4' energy: -21.248
flat angles C4'-P-C4' energy: -18.703
flat angles P-C4'-P energy: -7.395
tors. eta vs tors. theta energy: -11.667
Dist. restrs. and SS energy: -34.200 (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: 3
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -272.509658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.509658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.509658 (E_RNA)
where:
Base-Base interactions energy: -151.233
where: short stacking energy: -55.500
Base-Backbone interact. energy: 0.194
local terms energy: -85.470325
where:
bonds (distance) C4'-P energy: -20.338
bonds (distance) P-C4' energy: -27.638
flat angles C4'-P-C4' energy: -17.678
flat angles P-C4'-P energy: -13.277
tors. eta vs tors. theta energy: -6.539
Dist. restrs. and SS energy: -36.000 (S_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: 499
Temperature: 1.350000
Total energy: -240.335851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.335851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.335851 (E_RNA)
where:
Base-Base interactions energy: -122.037
where: short stacking energy: -55.481
Base-Backbone interact. energy: -0.211
local terms energy: -82.088183
where:
bonds (distance) C4'-P energy: -20.836
bonds (distance) P-C4' energy: -19.208
flat angles C4'-P-C4' energy: -15.701
flat angles P-C4'-P energy: -16.191
tors. eta vs tors. theta energy: -10.152
Dist. restrs. and SS energy: -36.000 (S_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: -414.893898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.893898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.493898 (E_RNA)
where:
Base-Base interactions energy: -259.916
where: short stacking energy: -105.994
Base-Backbone interact. energy: -3.255
local terms energy: -101.322889
where:
bonds (distance) C4'-P energy: -18.928
bonds (distance) P-C4' energy: -20.349
flat angles C4'-P-C4' energy: -22.735
flat angles P-C4'-P energy: -11.599
tors. eta vs tors. theta energy: -27.712
Dist. restrs. and SS energy: -50.400 (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: 8
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -408.846057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.846057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.246057 (E_RNA)
where:
Base-Base interactions energy: -254.084
where: short stacking energy: -104.890
Base-Backbone interact. energy: -0.690
local terms energy: -105.472063
where:
bonds (distance) C4'-P energy: -20.303
bonds (distance) P-C4' energy: -20.202
flat angles C4'-P-C4' energy: -25.257
flat angles P-C4'-P energy: -16.357
tors. eta vs tors. theta energy: -23.352
Dist. restrs. and SS energy: -48.600 (S_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: 500
Temperature: 1.000000
Total energy: -401.206916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.206916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.806916 (E_RNA)
where:
Base-Base interactions energy: -246.601
where: short stacking energy: -100.520
Base-Backbone interact. energy: -0.103
local terms energy: -104.102496
where:
bonds (distance) C4'-P energy: -22.023
bonds (distance) P-C4' energy: -20.287
flat angles C4'-P-C4' energy: -24.221
flat angles P-C4'-P energy: -12.715
tors. eta vs tors. theta energy: -24.856
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -392.190613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.190613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.790613 (E_RNA)
where:
Base-Base interactions energy: -244.058
where: short stacking energy: -82.416
Base-Backbone interact. energy: -1.366
local terms energy: -96.366632
where:
bonds (distance) C4'-P energy: -18.679
bonds (distance) P-C4' energy: -19.243
flat angles C4'-P-C4' energy: -18.523
flat angles P-C4'-P energy: -17.361
tors. eta vs tors. theta energy: -22.561
Dist. restrs. and SS energy: -50.400 (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: 7
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -400.711547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.711547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.111547 (E_RNA)
where:
Base-Base interactions energy: -246.855
where: short stacking energy: -97.830
Base-Backbone interact. energy: -1.993
local terms energy: -103.263294
where:
bonds (distance) C4'-P energy: -21.424
bonds (distance) P-C4' energy: -14.913
flat angles C4'-P-C4' energy: -21.393
flat angles P-C4'-P energy: -16.732
tors. eta vs tors. theta energy: -28.802
Dist. restrs. and SS energy: -48.600 (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: 5
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -313.246035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.246035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.046035 (E_RNA)
where:
Base-Base interactions energy: -182.736
where: short stacking energy: -84.709
Base-Backbone interact. energy: -0.680
local terms energy: -86.629626
where:
bonds (distance) C4'-P energy: -18.856
bonds (distance) P-C4' energy: -19.983
flat angles C4'-P-C4' energy: -14.889
flat angles P-C4'-P energy: -17.856
tors. eta vs tors. theta energy: -15.046
Dist. restrs. and SS energy: -43.200 (S_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: 500
Temperature: 1.200000
Total energy: -291.821538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.821538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.621538 (E_RNA)
where:
Base-Base interactions energy: -160.665
where: short stacking energy: -75.000
Base-Backbone interact. energy: -0.087
local terms energy: -96.869639
where:
bonds (distance) C4'-P energy: -21.412
bonds (distance) P-C4' energy: -14.389
flat angles C4'-P-C4' energy: -21.823
flat angles P-C4'-P energy: -18.376
tors. eta vs tors. theta energy: -20.870
Dist. restrs. and SS energy: -34.200 (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: 500
Temperature: 1.250000
Total energy: -271.517416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.517416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.517416 (E_RNA)
where:
Base-Base interactions energy: -147.878
where: short stacking energy: -67.977
Base-Backbone interact. energy: -0.105
local terms energy: -87.534408
where:
bonds (distance) C4'-P energy: -19.132
bonds (distance) P-C4' energy: -18.572
flat angles C4'-P-C4' energy: -21.779
flat angles P-C4'-P energy: -9.511
tors. eta vs tors. theta energy: -18.540
Dist. restrs. and SS energy: -36.000 (S_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: 500
Temperature: 1.300000
Total energy: -257.217357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.217357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.217357 (E_RNA)
where:
Base-Base interactions energy: -133.291
where: short stacking energy: -61.635
Base-Backbone interact. energy: -0.100
local terms energy: -87.827171
where:
bonds (distance) C4'-P energy: -19.488
bonds (distance) P-C4' energy: -25.628
flat angles C4'-P-C4' energy: -18.088
flat angles P-C4'-P energy: -10.591
tors. eta vs tors. theta energy: -14.032
Dist. restrs. and SS energy: -36.000 (S_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: 500
Temperature: 1.350000
Total energy: -242.181478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.181478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.981478 (E_RNA)
where:
Base-Base interactions energy: -138.212
where: short stacking energy: -67.970
Base-Backbone interact. energy: -0.172
local terms energy: -69.597450
where:
bonds (distance) C4'-P energy: -15.082
bonds (distance) P-C4' energy: -19.967
flat angles C4'-P-C4' energy: -18.978
flat angles P-C4'-P energy: -7.504
tors. eta vs tors. theta energy: -8.067
Dist. restrs. and SS energy: -34.200 (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: 501
Temperature: 0.900000
Total energy: -411.297222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.297222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.897222 (E_RNA)
where:
Base-Base interactions energy: -256.269
where: short stacking energy: -97.700
Base-Backbone interact. energy: -1.126
local terms energy: -103.502088
where:
bonds (distance) C4'-P energy: -18.518
bonds (distance) P-C4' energy: -17.872
flat angles C4'-P-C4' energy: -21.168
flat angles P-C4'-P energy: -18.100
tors. eta vs tors. theta energy: -27.844
Dist. restrs. and SS energy: -50.400 (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: 8
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -403.245900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.245900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.645900 (E_RNA)
where:
Base-Base interactions energy: -251.791
where: short stacking energy: -88.477
Base-Backbone interact. energy: -0.307
local terms energy: -102.548431
where:
bonds (distance) C4'-P energy: -22.886
bonds (distance) P-C4' energy: -21.584
flat angles C4'-P-C4' energy: -17.308
flat angles P-C4'-P energy: -18.136
tors. eta vs tors. theta energy: -22.634
Dist. restrs. and SS energy: -48.600 (S_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: 501
Temperature: 1.000000
Total energy: -394.081650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.081650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.681650 (E_RNA)
where:
Base-Base interactions energy: -245.151
where: short stacking energy: -94.709
Base-Backbone interact. energy: -2.029
local terms energy: -96.501630
where:
bonds (distance) C4'-P energy: -17.975
bonds (distance) P-C4' energy: -18.889
flat angles C4'-P-C4' energy: -21.773
flat angles P-C4'-P energy: -13.044
tors. eta vs tors. theta energy: -24.821
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -393.083077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.083077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.683077 (E_RNA)
where:
Base-Base interactions energy: -240.039
where: short stacking energy: -91.279
Base-Backbone interact. energy: -1.794
local terms energy: -100.850483
where:
bonds (distance) C4'-P energy: -18.146
bonds (distance) P-C4' energy: -22.912
flat angles C4'-P-C4' energy: -18.101
flat angles P-C4'-P energy: -13.340
tors. eta vs tors. theta energy: -28.351
Dist. restrs. and SS energy: -50.400 (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: 9
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -383.939374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.939374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.339374 (E_RNA)
where:
Base-Base interactions energy: -238.563
where: short stacking energy: -86.166
Base-Backbone interact. energy: 0.529
local terms energy: -97.304794
where:
bonds (distance) C4'-P energy: -21.184
bonds (distance) P-C4' energy: -19.182
flat angles C4'-P-C4' energy: -19.654
flat angles P-C4'-P energy: -13.174
tors. eta vs tors. theta energy: -24.110
Dist. restrs. and SS energy: -48.600 (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: 2
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -300.244031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.244031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.044031 (E_RNA)
where:
Base-Base interactions energy: -164.902
where: short stacking energy: -83.140
Base-Backbone interact. energy: -0.038
local terms energy: -101.103642
where:
bonds (distance) C4'-P energy: -17.177
bonds (distance) P-C4' energy: -23.201
flat angles C4'-P-C4' energy: -26.093
flat angles P-C4'-P energy: -14.747
tors. eta vs tors. theta energy: -19.886
Dist. restrs. and SS energy: -34.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -292.775764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.775764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.175764 (E_RNA)
where:
Base-Base interactions energy: -171.452
where: short stacking energy: -73.225
Base-Backbone interact. energy: -0.097
local terms energy: -81.626375
where:
bonds (distance) C4'-P energy: -17.288
bonds (distance) P-C4' energy: -20.221
flat angles C4'-P-C4' energy: -22.743
flat angles P-C4'-P energy: -10.947
tors. eta vs tors. theta energy: -10.428
Dist. restrs. and SS energy: -39.600 (S_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: 501
Temperature: 1.250000
Total energy: -278.384649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.384649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.384649 (E_RNA)
where:
Base-Base interactions energy: -159.778
where: short stacking energy: -78.528
Base-Backbone interact. energy: -0.194
local terms energy: -82.412151
where:
bonds (distance) C4'-P energy: -15.245
bonds (distance) P-C4' energy: -14.248
flat angles C4'-P-C4' energy: -20.083
flat angles P-C4'-P energy: -14.159
tors. eta vs tors. theta energy: -18.678
Dist. restrs. and SS energy: -36.000 (S_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: 501
Temperature: 1.300000
Total energy: -271.788241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.788241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.788241 (E_RNA)
where:
Base-Base interactions energy: -150.844
where: short stacking energy: -63.906
Base-Backbone interact. energy: 0.232
local terms energy: -85.176110
where:
bonds (distance) C4'-P energy: -18.741
bonds (distance) P-C4' energy: -19.210
flat angles C4'-P-C4' energy: -17.296
flat angles P-C4'-P energy: -11.479
tors. eta vs tors. theta energy: -18.449
Dist. restrs. and SS energy: -36.000 (S_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: 501
Temperature: 1.350000
Total energy: -244.525729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.525729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.525729 (E_RNA)
where:
Base-Base interactions energy: -133.077
where: short stacking energy: -59.249
Base-Backbone interact. energy: 4.832
local terms energy: -80.280877
where:
bonds (distance) C4'-P energy: -18.685
bonds (distance) P-C4' energy: -21.114
flat angles C4'-P-C4' energy: -19.039
flat angles P-C4'-P energy: -13.838
tors. eta vs tors. theta energy: -7.604
Dist. restrs. and SS energy: -36.000 (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: 19358572
moves confirmed later: 21853807
all moves confirmed: 41212379
percent of confirmed moves: 5.151547
current total energy: -364.177663
recalc. total energy: -364.177663
replica 8 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 18643107
moves confirmed later: 20946846
all moves confirmed: 39589953
percent of confirmed moves: 4.948744
current total energy: -345.657993
recalc. total energy: -345.657993
replica 7 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 22985164
moves confirmed later: 26655655
all moves confirmed: 49640819
percent of confirmed moves: 6.205102
current total energy: -360.127216
recalc. total energy: -360.127216
replica 10 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 15672648
moves confirmed later: 17030101
all moves confirmed: 32702749
percent of confirmed moves: 4.087844
current total energy: -363.326760
recalc. total energy: -363.326760
replica 9 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 25772585
moves confirmed later: 30399351
all moves confirmed: 56171936
percent of confirmed moves: 7.021492
current total energy: -319.930916
recalc. total energy: -319.930916
replica 2 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 28245017
moves confirmed later: 33624568
all moves confirmed: 61869585
percent of confirmed moves: 7.733698
current total energy: -274.653983
recalc. total energy: -274.653983
replica 5 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 17427132
moves confirmed later: 19313820
all moves confirmed: 36740952
percent of confirmed moves: 4.592619
current total energy: -262.159076
recalc. total energy: -262.159076
replica 3 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 22344130
moves confirmed later: 25799211
all moves confirmed: 48143341
percent of confirmed moves: 6.017918
current total energy: -251.647358
recalc. total energy: -251.647358
replica 6 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 27932484
moves confirmed later: 33176880
all moves confirmed: 61109364
percent of confirmed moves: 7.638670
current total energy: -207.718720
recalc. total energy: -207.718720
replica 4 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 26183105
moves confirmed later: 30899230
all moves confirmed: 57082335
percent of confirmed moves: 7.135292
current total energy: -193.384914
recalc. total energy: -193.384914
out arg RESULTS//1/aptamer_test2-cb55d7fe_01
Time of doing 8000000 iterations: 4944.853 seconds