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/AKR1B10-db9b3c26/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/AKR1B10-db9b3c26/inputs/seq.fa: 1
curr_seq: _ACUCAGAAUCAUUUCUGCACCAACCAUGGCCACGUUUGUG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: ACUCAGAAUCAUUUCUGCACCAACCAUGGCCACGUUUGUG
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 40 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: 205
n_atoms_counter: 205
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _...(((((....)))))..(((....))).(((....)))_
nucl1: 7, chain1: 0, <---> nucl2: 12, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 7, chainIndex_2: 0, nuclIndex_2: 12
nucl1: 6, chain1: 0, <---> nucl2: 13, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 6, chainIndex_2: 0, nuclIndex_2: 13
nucl1: 5, chain1: 0, <---> nucl2: 14, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 5, chainIndex_2: 0, nuclIndex_2: 14
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: 21, chain1: 0, <---> nucl2: 26, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 21, chainIndex_2: 0, nuclIndex_2: 26
nucl1: 20, chain1: 0, <---> nucl2: 27, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 20, chainIndex_2: 0, nuclIndex_2: 27
nucl1: 19, chain1: 0, <---> nucl2: 28, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 19, chainIndex_2: 0, nuclIndex_2: 28
nucl1: 32, chain1: 0, <---> nucl2: 37, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 32, chainIndex_2: 0, nuclIndex_2: 37
nucl1: 31, chain1: 0, <---> nucl2: 38, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 31, chainIndex_2: 0, nuclIndex_2: 38
nucl1: 30, chain1: 0, <---> nucl2: 39, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 30, chainIndex_2: 0, nuclIndex_2: 39
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 40.000000 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/AKR1B10-db9b3c26/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/AKR1B10-db9b3c26/inputs/seq.fa: 1
curr_seq: _ACUCAGAAUCAUUUCUGCACCAACCAUGGCCACGUUUGUG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: ACUCAGAAUCAUUUCUGCACCAACCAUGGCCACGUUUGUG
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 40 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: 205
n_atoms_counter: 205
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _...(((((....)))))..(((....))).(((....)))_
nucl1: 7, chain1: 0, <---> nucl2: 12, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 7, chainIndex_2: 0, nuclIndex_2: 12
nucl1: 6, chain1: 0, <---> nucl2: 13, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 6, chainIndex_2: 0, nuclIndex_2: 13
nucl1: 5, chain1: 0, <---> nucl2: 14, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 5, chainIndex_2: 0, nuclIndex_2: 14
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: 21, chain1: 0, <---> nucl2: 26, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 21, chainIndex_2: 0, nuclIndex_2: 26
nucl1: 20, chain1: 0, <---> nucl2: 27, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 20, chainIndex_2: 0, nuclIndex_2: 27
nucl1: 19, chain1: 0, <---> nucl2: 28, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 19, chainIndex_2: 0, nuclIndex_2: 28
nucl1: 32, chain1: 0, <---> nucl2: 37, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 32, chainIndex_2: 0, nuclIndex_2: 37
nucl1: 31, chain1: 0, <---> nucl2: 38, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 31, chainIndex_2: 0, nuclIndex_2: 38
nucl1: 30, chain1: 0, <---> nucl2: 39, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 30, chainIndex_2: 0, nuclIndex_2: 39
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 40.000000 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/AKR1B10-db9b3c26/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/AKR1B10-db9b3c26/inputs/seq.fa: 1
curr_seq: _ACUCAGAAUCAUUUCUGCACCAACCAUGGCCACGUUUGUG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: ACUCAGAAUCAUUUCUGCACCAACCAUGGCCACGUUUGUG
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 40 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: 205
n_atoms_counter: 205
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _...(((((....)))))..(((....))).(((....)))_
nucl1: 7, chain1: 0, <---> nucl2: 12, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 7, chainIndex_2: 0, nuclIndex_2: 12
nucl1: 6, chain1: 0, <---> nucl2: 13, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 6, chainIndex_2: 0, nuclIndex_2: 13
nucl1: 5, chain1: 0, <---> nucl2: 14, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 5, chainIndex_2: 0, nuclIndex_2: 14
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: 21, chain1: 0, <---> nucl2: 26, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 21, chainIndex_2: 0, nuclIndex_2: 26
nucl1: 20, chain1: 0, <---> nucl2: 27, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 20, chainIndex_2: 0, nuclIndex_2: 27
nucl1: 19, chain1: 0, <---> nucl2: 28, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 19, chainIndex_2: 0, nuclIndex_2: 28
nucl1: 32, chain1: 0, <---> nucl2: 37, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 32, chainIndex_2: 0, nuclIndex_2: 37
nucl1: 31, chain1: 0, <---> nucl2: 38, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 31, chainIndex_2: 0, nuclIndex_2: 38
nucl1: 30, chain1: 0, <---> nucl2: 39, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 30, chainIndex_2: 0, nuclIndex_2: 39
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 40.000000 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/AKR1B10-db9b3c26/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/AKR1B10-db9b3c26/inputs/seq.fa: 1
curr_seq: _ACUCAGAAUCAUUUCUGCACCAACCAUGGCCACGUUUGUG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: ACUCAGAAUCAUUUCUGCACCAACCAUGGCCACGUUUGUG
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 40 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: 205
n_atoms_counter: 205
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _...(((((....)))))..(((....))).(((....)))_
nucl1: 7, chain1: 0, <---> nucl2: 12, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 7, chainIndex_2: 0, nuclIndex_2: 12
nucl1: 6, chain1: 0, <---> nucl2: 13, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 6, chainIndex_2: 0, nuclIndex_2: 13
nucl1: 5, chain1: 0, <---> nucl2: 14, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 5, chainIndex_2: 0, nuclIndex_2: 14
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: 21, chain1: 0, <---> nucl2: 26, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 21, chainIndex_2: 0, nuclIndex_2: 26
nucl1: 20, chain1: 0, <---> nucl2: 27, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 20, chainIndex_2: 0, nuclIndex_2: 27
nucl1: 19, chain1: 0, <---> nucl2: 28, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 19, chainIndex_2: 0, nuclIndex_2: 28
nucl1: 32, chain1: 0, <---> nucl2: 37, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 32, chainIndex_2: 0, nuclIndex_2: 37
nucl1: 31, chain1: 0, <---> nucl2: 38, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 31, chainIndex_2: 0, nuclIndex_2: 38
nucl1: 30, chain1: 0, <---> nucl2: 39, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 30, chainIndex_2: 0, nuclIndex_2: 39
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 40.000000 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/AKR1B10-db9b3c26/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/AKR1B10-db9b3c26/inputs/seq.fa: 1
curr_seq: _ACUCAGAAUCAUUUCUGCACCAACCAUGGCCACGUUUGUG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: ACUCAGAAUCAUUUCUGCACCAACCAUGGCCACGUUUGUG
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 40 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: 205
n_atoms_counter: 205
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _...(((((....)))))..(((....))).(((....)))_
nucl1: 7, chain1: 0, <---> nucl2: 12, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 7, chainIndex_2: 0, nuclIndex_2: 12
nucl1: 6, chain1: 0, <---> nucl2: 13, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 6, chainIndex_2: 0, nuclIndex_2: 13
nucl1: 5, chain1: 0, <---> nucl2: 14, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 5, chainIndex_2: 0, nuclIndex_2: 14
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: 21, chain1: 0, <---> nucl2: 26, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 21, chainIndex_2: 0, nuclIndex_2: 26
nucl1: 20, chain1: 0, <---> nucl2: 27, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 20, chainIndex_2: 0, nuclIndex_2: 27
nucl1: 19, chain1: 0, <---> nucl2: 28, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 19, chainIndex_2: 0, nuclIndex_2: 28
nucl1: 32, chain1: 0, <---> nucl2: 37, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 32, chainIndex_2: 0, nuclIndex_2: 37
nucl1: 31, chain1: 0, <---> nucl2: 38, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 31, chainIndex_2: 0, nuclIndex_2: 38
nucl1: 30, chain1: 0, <---> nucl2: 39, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 30, chainIndex_2: 0, nuclIndex_2: 39
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 40.000000 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/AKR1B10-db9b3c26/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/AKR1B10-db9b3c26/inputs/seq.fa: 1
curr_seq: _ACUCAGAAUCAUUUCUGCACCAACCAUGGCCACGUUUGUG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: ACUCAGAAUCAUUUCUGCACCAACCAUGGCCACGUUUGUG
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 40 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: 205
n_atoms_counter: 205
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _...(((((....)))))..(((....))).(((....)))_
nucl1: 7, chain1: 0, <---> nucl2: 12, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 7, chainIndex_2: 0, nuclIndex_2: 12
nucl1: 6, chain1: 0, <---> nucl2: 13, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 6, chainIndex_2: 0, nuclIndex_2: 13
nucl1: 5, chain1: 0, <---> nucl2: 14, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 5, chainIndex_2: 0, nuclIndex_2: 14
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: 21, chain1: 0, <---> nucl2: 26, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 21, chainIndex_2: 0, nuclIndex_2: 26
nucl1: 20, chain1: 0, <---> nucl2: 27, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 20, chainIndex_2: 0, nuclIndex_2: 27
nucl1: 19, chain1: 0, <---> nucl2: 28, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 19, chainIndex_2: 0, nuclIndex_2: 28
nucl1: 32, chain1: 0, <---> nucl2: 37, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 32, chainIndex_2: 0, nuclIndex_2: 37
nucl1: 31, chain1: 0, <---> nucl2: 38, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 31, chainIndex_2: 0, nuclIndex_2: 38
nucl1: 30, chain1: 0, <---> nucl2: 39, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 30, chainIndex_2: 0, nuclIndex_2: 39
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 40.000000 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/AKR1B10-db9b3c26/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/AKR1B10-db9b3c26/inputs/seq.fa: 1
curr_seq: _ACUCAGAAUCAUUUCUGCACCAACCAUGGCCACGUUUGUG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: ACUCAGAAUCAUUUCUGCACCAACCAUGGCCACGUUUGUG
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 40 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: 205
n_atoms_counter: 205
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _...(((((....)))))..(((....))).(((....)))_
nucl1: 7, chain1: 0, <---> nucl2: 12, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 7, chainIndex_2: 0, nuclIndex_2: 12
nucl1: 6, chain1: 0, <---> nucl2: 13, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 6, chainIndex_2: 0, nuclIndex_2: 13
nucl1: 5, chain1: 0, <---> nucl2: 14, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 5, chainIndex_2: 0, nuclIndex_2: 14
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: 21, chain1: 0, <---> nucl2: 26, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 21, chainIndex_2: 0, nuclIndex_2: 26
nucl1: 20, chain1: 0, <---> nucl2: 27, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 20, chainIndex_2: 0, nuclIndex_2: 27
nucl1: 19, chain1: 0, <---> nucl2: 28, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 19, chainIndex_2: 0, nuclIndex_2: 28
nucl1: 32, chain1: 0, <---> nucl2: 37, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 32, chainIndex_2: 0, nuclIndex_2: 37
nucl1: 31, chain1: 0, <---> nucl2: 38, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 31, chainIndex_2: 0, nuclIndex_2: 38
nucl1: 30, chain1: 0, <---> nucl2: 39, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 30, chainIndex_2: 0, nuclIndex_2: 39
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 40.000000 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/AKR1B10-db9b3c26/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/AKR1B10-db9b3c26/inputs/seq.fa: 1
curr_seq: _ACUCAGAAUCAUUUCUGCACCAACCAUGGCCACGUUUGUG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: ACUCAGAAUCAUUUCUGCACCAACCAUGGCCACGUUUGUG
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 40 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: 205
n_atoms_counter: 205
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _...(((((....)))))..(((....))).(((....)))_
nucl1: 7, chain1: 0, <---> nucl2: 12, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 7, chainIndex_2: 0, nuclIndex_2: 12
nucl1: 6, chain1: 0, <---> nucl2: 13, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 6, chainIndex_2: 0, nuclIndex_2: 13
nucl1: 5, chain1: 0, <---> nucl2: 14, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 5, chainIndex_2: 0, nuclIndex_2: 14
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: 21, chain1: 0, <---> nucl2: 26, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 21, chainIndex_2: 0, nuclIndex_2: 26
nucl1: 20, chain1: 0, <---> nucl2: 27, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 20, chainIndex_2: 0, nuclIndex_2: 27
nucl1: 19, chain1: 0, <---> nucl2: 28, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 19, chainIndex_2: 0, nuclIndex_2: 28
nucl1: 32, chain1: 0, <---> nucl2: 37, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 32, chainIndex_2: 0, nuclIndex_2: 37
nucl1: 31, chain1: 0, <---> nucl2: 38, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 31, chainIndex_2: 0, nuclIndex_2: 38
nucl1: 30, chain1: 0, <---> nucl2: 39, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 30, chainIndex_2: 0, nuclIndex_2: 39
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 40.000000 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/AKR1B10-db9b3c26/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/AKR1B10-db9b3c26/inputs/seq.fa: 1
curr_seq: _ACUCAGAAUCAUUUCUGCACCAACCAUGGCCACGUUUGUG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: ACUCAGAAUCAUUUCUGCACCAACCAUGGCCACGUUUGUG
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 40 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: 205
n_atoms_counter: 205
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _...(((((....)))))..(((....))).(((....)))_
nucl1: 7, chain1: 0, <---> nucl2: 12, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 7, chainIndex_2: 0, nuclIndex_2: 12
nucl1: 6, chain1: 0, <---> nucl2: 13, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 6, chainIndex_2: 0, nuclIndex_2: 13
nucl1: 5, chain1: 0, <---> nucl2: 14, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 5, chainIndex_2: 0, nuclIndex_2: 14
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: 21, chain1: 0, <---> nucl2: 26, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 21, chainIndex_2: 0, nuclIndex_2: 26
nucl1: 20, chain1: 0, <---> nucl2: 27, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 20, chainIndex_2: 0, nuclIndex_2: 27
nucl1: 19, chain1: 0, <---> nucl2: 28, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 19, chainIndex_2: 0, nuclIndex_2: 28
nucl1: 32, chain1: 0, <---> nucl2: 37, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 32, chainIndex_2: 0, nuclIndex_2: 37
nucl1: 31, chain1: 0, <---> nucl2: 38, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 31, chainIndex_2: 0, nuclIndex_2: 38
nucl1: 30, chain1: 0, <---> nucl2: 39, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 30, chainIndex_2: 0, nuclIndex_2: 39
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 40.000000 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/AKR1B10-db9b3c26/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/AKR1B10-db9b3c26/inputs/seq.fa: 1
curr_seq: _ACUCAGAAUCAUUUCUGCACCAACCAUGGCCACGUUUGUG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: ACUCAGAAUCAUUUCUGCACCAACCAUGGCCACGUUUGUG
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 40 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: 205
n_atoms_counter: 205
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _...(((((....)))))..(((....))).(((....)))_
nucl1: 7, chain1: 0, <---> nucl2: 12, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 7, chainIndex_2: 0, nuclIndex_2: 12
nucl1: 6, chain1: 0, <---> nucl2: 13, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 6, chainIndex_2: 0, nuclIndex_2: 13
nucl1: 5, chain1: 0, <---> nucl2: 14, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 5, chainIndex_2: 0, nuclIndex_2: 14
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: 21, chain1: 0, <---> nucl2: 26, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 21, chainIndex_2: 0, nuclIndex_2: 26
nucl1: 20, chain1: 0, <---> nucl2: 27, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 20, chainIndex_2: 0, nuclIndex_2: 27
nucl1: 19, chain1: 0, <---> nucl2: 28, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 19, chainIndex_2: 0, nuclIndex_2: 28
nucl1: 32, chain1: 0, <---> nucl2: 37, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 32, chainIndex_2: 0, nuclIndex_2: 37
nucl1: 31, chain1: 0, <---> nucl2: 38, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 31, chainIndex_2: 0, nuclIndex_2: 38
nucl1: 30, chain1: 0, <---> nucl2: 39, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 30, chainIndex_2: 0, nuclIndex_2: 39
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 40.000000 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: 134.944599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 134.944599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.132757 (E_RNA)
where:
Base-Base interactions energy: -5.087
where: short stacking energy: -5.087
Base-Backbone interact. energy: -0.000
local terms energy: -156.045542
where:
bonds (distance) C4'-P energy: -38.863
bonds (distance) P-C4' energy: -36.681
flat angles C4'-P-C4' energy: -29.369
flat angles P-C4'-P energy: -33.595
tors. eta vs tors. theta energy: -17.538
Dist. restrs. and SS energy: 296.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: 134.944599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 134.944599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.132757 (E_RNA)
where:
Base-Base interactions energy: -5.087
where: short stacking energy: -5.087
Base-Backbone interact. energy: -0.000
local terms energy: -156.045542
where:
bonds (distance) C4'-P energy: -38.863
bonds (distance) P-C4' energy: -36.681
flat angles C4'-P-C4' energy: -29.369
flat angles P-C4'-P energy: -33.595
tors. eta vs tors. theta energy: -17.538
Dist. restrs. and SS energy: 296.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: 134.944599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 134.944599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.132757 (E_RNA)
where:
Base-Base interactions energy: -5.087
where: short stacking energy: -5.087
Base-Backbone interact. energy: -0.000
local terms energy: -156.045542
where:
bonds (distance) C4'-P energy: -38.863
bonds (distance) P-C4' energy: -36.681
flat angles C4'-P-C4' energy: -29.369
flat angles P-C4'-P energy: -33.595
tors. eta vs tors. theta energy: -17.538
Dist. restrs. and SS energy: 296.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: 134.944599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 134.944599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.132757 (E_RNA)
where:
Base-Base interactions energy: -5.087
where: short stacking energy: -5.087
Base-Backbone interact. energy: -0.000
local terms energy: -156.045542
where:
bonds (distance) C4'-P energy: -38.863
bonds (distance) P-C4' energy: -36.681
flat angles C4'-P-C4' energy: -29.369
flat angles P-C4'-P energy: -33.595
tors. eta vs tors. theta energy: -17.538
Dist. restrs. and SS energy: 296.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: 134.944599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 134.944599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.132757 (E_RNA)
where:
Base-Base interactions energy: -5.087
where: short stacking energy: -5.087
Base-Backbone interact. energy: -0.000
local terms energy: -156.045542
where:
bonds (distance) C4'-P energy: -38.863
bonds (distance) P-C4' energy: -36.681
flat angles C4'-P-C4' energy: -29.369
flat angles P-C4'-P energy: -33.595
tors. eta vs tors. theta energy: -17.538
Dist. restrs. and SS energy: 296.077 (S_DIST_RNA)
chem. 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: 134.944599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 134.944599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.132757 (E_RNA)
where:
Base-Base interactions energy: -5.087
where: short stacking energy: -5.087
Base-Backbone interact. energy: -0.000
local terms energy: -156.045542
where:
bonds (distance) C4'-P energy: -38.863
bonds (distance) P-C4' energy: -36.681
flat angles C4'-P-C4' energy: -29.369
flat angles P-C4'-P energy: -33.595
tors. eta vs tors. theta energy: -17.538
Dist. restrs. and SS energy: 296.077 (S_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: 134.944599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 134.944599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.132757 (E_RNA)
where:
Base-Base interactions energy: -5.087
where: short stacking energy: -5.087
Base-Backbone interact. energy: -0.000
local terms energy: -156.045542
where:
bonds (distance) C4'-P energy: -38.863
bonds (distance) P-C4' energy: -36.681
flat angles C4'-P-C4' energy: -29.369
flat angles P-C4'-P energy: -33.595
tors. eta vs tors. theta energy: -17.538
Dist. restrs. and SS energy: 296.077 (S_DIST_RNA)
chem. 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: 134.944599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 134.944599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.132757 (E_RNA)
where:
Base-Base interactions energy: -5.087
where: short stacking energy: -5.087
Base-Backbone interact. energy: -0.000
local terms energy: -156.045542
where:
bonds (distance) C4'-P energy: -38.863
bonds (distance) P-C4' energy: -36.681
flat angles C4'-P-C4' energy: -29.369
flat angles P-C4'-P energy: -33.595
tors. eta vs tors. theta energy: -17.538
Dist. restrs. and SS energy: 296.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: 134.944599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 134.944599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.132757 (E_RNA)
where:
Base-Base interactions energy: -5.087
where: short stacking energy: -5.087
Base-Backbone interact. energy: -0.000
local terms energy: -156.045542
where:
bonds (distance) C4'-P energy: -38.863
bonds (distance) P-C4' energy: -36.681
flat angles C4'-P-C4' energy: -29.369
flat angles P-C4'-P energy: -33.595
tors. eta vs tors. theta energy: -17.538
Dist. restrs. and SS energy: 296.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: 134.944599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 134.944599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.132757 (E_RNA)
where:
Base-Base interactions energy: -5.087
where: short stacking energy: -5.087
Base-Backbone interact. energy: -0.000
local terms energy: -156.045542
where:
bonds (distance) C4'-P energy: -38.863
bonds (distance) P-C4' energy: -36.681
flat angles C4'-P-C4' energy: -29.369
flat angles P-C4'-P energy: -33.595
tors. eta vs tors. theta energy: -17.538
Dist. restrs. and SS energy: 296.077 (S_DIST_RNA)
chem. 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: -323.677544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.677544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.579992 (E_RNA)
where:
Base-Base interactions energy: -206.237
where: short stacking energy: -92.973
Base-Backbone interact. energy: -0.187
local terms energy: -119.156715
where:
bonds (distance) C4'-P energy: -24.452
bonds (distance) P-C4' energy: -22.779
flat angles C4'-P-C4' energy: -27.197
flat angles P-C4'-P energy: -23.056
tors. eta vs tors. theta energy: -21.673
Dist. restrs. and SS energy: 1.902 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -335.475084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.475084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.919199 (E_RNA)
where:
Base-Base interactions energy: -216.790
where: short stacking energy: -94.685
Base-Backbone interact. energy: -0.688
local terms energy: -120.441026
where:
bonds (distance) C4'-P energy: -29.197
bonds (distance) P-C4' energy: -25.900
flat angles C4'-P-C4' energy: -23.103
flat angles P-C4'-P energy: -17.032
tors. eta vs tors. theta energy: -25.208
Dist. restrs. and SS energy: 2.444 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -293.115686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.115686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.210184 (E_RNA)
where:
Base-Base interactions energy: -183.728
where: short stacking energy: -75.906
Base-Backbone interact. energy: -0.725
local terms energy: -112.756687
where:
bonds (distance) C4'-P energy: -28.682
bonds (distance) P-C4' energy: -28.832
flat angles C4'-P-C4' energy: -27.235
flat angles P-C4'-P energy: -12.583
tors. eta vs tors. theta energy: -15.424
Dist. restrs. and SS energy: 4.094 (S_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: -269.795002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.795002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.597316 (E_RNA)
where:
Base-Base interactions energy: -175.902
where: short stacking energy: -60.913
Base-Backbone interact. energy: 0.096
local terms energy: -102.791628
where:
bonds (distance) C4'-P energy: -25.526
bonds (distance) P-C4' energy: -31.189
flat angles C4'-P-C4' energy: -26.306
flat angles P-C4'-P energy: -9.203
tors. eta vs tors. theta energy: -10.567
Dist. restrs. and SS energy: 8.802 (S_DIST_RNA)
chem. 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: -241.321524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.321524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.547846 (E_RNA)
where:
Base-Base interactions energy: -146.461
where: short stacking energy: -53.325
Base-Backbone interact. energy: -0.468
local terms energy: -102.618904
where:
bonds (distance) C4'-P energy: -27.421
bonds (distance) P-C4' energy: -23.686
flat angles C4'-P-C4' energy: -21.609
flat angles P-C4'-P energy: -16.086
tors. eta vs tors. theta energy: -13.817
Dist. restrs. and SS energy: 8.226 (S_DIST_RNA)
chem. 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: -247.318665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.318665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.314278 (E_RNA)
where:
Base-Base interactions energy: -156.344
where: short stacking energy: -75.177
Base-Backbone interact. energy: -0.323
local terms energy: -99.647549
where:
bonds (distance) C4'-P energy: -19.638
bonds (distance) P-C4' energy: -27.848
flat angles C4'-P-C4' energy: -17.756
flat angles P-C4'-P energy: -16.937
tors. eta vs tors. theta energy: -17.468
Dist. restrs. and SS energy: 8.996 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -283.062641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.062641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.116174 (E_RNA)
where:
Base-Base interactions energy: -178.408
where: short stacking energy: -68.583
Base-Backbone interact. energy: -0.345
local terms energy: -109.363873
where:
bonds (distance) C4'-P energy: -27.203
bonds (distance) P-C4' energy: -23.292
flat angles C4'-P-C4' energy: -25.556
flat angles P-C4'-P energy: -11.861
tors. eta vs tors. theta energy: -21.452
Dist. restrs. and SS energy: 5.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -239.874814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.874814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.843711 (E_RNA)
where:
Base-Base interactions energy: -159.612
where: short stacking energy: -67.775
Base-Backbone interact. energy: 3.821
local terms energy: -91.052036
where:
bonds (distance) C4'-P energy: -22.361
bonds (distance) P-C4' energy: -19.840
flat angles C4'-P-C4' energy: -20.021
flat angles P-C4'-P energy: -13.282
tors. eta vs tors. theta energy: -15.547
Dist. restrs. and SS energy: 6.969 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -265.431757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.431757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.429085 (E_RNA)
where:
Base-Base interactions energy: -162.487
where: short stacking energy: -71.369
Base-Backbone interact. energy: 1.240
local terms energy: -111.182381
where:
bonds (distance) C4'-P energy: -24.823
bonds (distance) P-C4' energy: -24.542
flat angles C4'-P-C4' energy: -22.637
flat angles P-C4'-P energy: -18.416
tors. eta vs tors. theta energy: -20.764
Dist. restrs. and SS energy: 6.997 (S_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: -140.800438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.800438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.131332 (E_RNA)
where:
Base-Base interactions energy: -70.722
where: short stacking energy: -32.959
Base-Backbone interact. energy: -1.124
local terms energy: -80.285176
where:
bonds (distance) C4'-P energy: -25.168
bonds (distance) P-C4' energy: -25.640
flat angles C4'-P-C4' energy: -13.230
flat angles P-C4'-P energy: -15.455
tors. eta vs tors. theta energy: -0.793
Dist. restrs. and SS energy: 11.331 (S_DIST_RNA)
chem. 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: -344.747834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.747834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.295180 (E_RNA)
where:
Base-Base interactions energy: -237.734
where: short stacking energy: -105.926
Base-Backbone interact. energy: -0.105
local terms energy: -110.456031
where:
bonds (distance) C4'-P energy: -17.919
bonds (distance) P-C4' energy: -28.934
flat angles C4'-P-C4' energy: -25.167
flat angles P-C4'-P energy: -12.787
tors. eta vs tors. theta energy: -25.650
Dist. restrs. and SS energy: 3.547 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -299.309213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.309213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.531448 (E_RNA)
where:
Base-Base interactions energy: -194.206
where: short stacking energy: -81.744
Base-Backbone interact. energy: -0.254
local terms energy: -109.071233
where:
bonds (distance) C4'-P energy: -27.278
bonds (distance) P-C4' energy: -30.750
flat angles C4'-P-C4' energy: -21.439
flat angles P-C4'-P energy: -15.575
tors. eta vs tors. theta energy: -14.029
Dist. restrs. and SS energy: 4.222 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -347.191564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.191564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.399368 (E_RNA)
where:
Base-Base interactions energy: -237.518
where: short stacking energy: -104.247
Base-Backbone interact. energy: 1.732
local terms energy: -114.613319
where:
bonds (distance) C4'-P energy: -23.993
bonds (distance) P-C4' energy: -27.735
flat angles C4'-P-C4' energy: -25.091
flat angles P-C4'-P energy: -14.629
tors. eta vs tors. theta energy: -23.166
Dist. restrs. and SS energy: 3.208 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -311.644797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.644797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.739779 (E_RNA)
where:
Base-Base interactions energy: -202.730
where: short stacking energy: -79.669
Base-Backbone interact. energy: -0.152
local terms energy: -110.857141
where:
bonds (distance) C4'-P energy: -22.252
bonds (distance) P-C4' energy: -26.003
flat angles C4'-P-C4' energy: -27.274
flat angles P-C4'-P energy: -18.442
tors. eta vs tors. theta energy: -16.887
Dist. restrs. and SS energy: 2.095 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -372.055332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.055332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.879520 (E_RNA)
where:
Base-Base interactions energy: -247.789
where: short stacking energy: -101.494
Base-Backbone interact. energy: 0.076
local terms energy: -127.166618
where:
bonds (distance) C4'-P energy: -28.396
bonds (distance) P-C4' energy: -26.918
flat angles C4'-P-C4' energy: -24.817
flat angles P-C4'-P energy: -14.725
tors. eta vs tors. theta energy: -32.310
Dist. restrs. and SS energy: 2.824 (S_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: -308.423165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.423165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.343035 (E_RNA)
where:
Base-Base interactions energy: -209.043
where: short stacking energy: -84.983
Base-Backbone interact. energy: 0.310
local terms energy: -101.609589
where:
bonds (distance) C4'-P energy: -20.984
bonds (distance) P-C4' energy: -26.962
flat angles C4'-P-C4' energy: -18.258
flat angles P-C4'-P energy: -18.034
tors. eta vs tors. theta energy: -17.371
Dist. restrs. and SS energy: 1.920 (S_DIST_RNA)
chem. 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: -283.256444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.256444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.605163 (E_RNA)
where:
Base-Base interactions energy: -187.990
where: short stacking energy: -73.654
Base-Backbone interact. energy: -0.280
local terms energy: -98.334807
where:
bonds (distance) C4'-P energy: -21.148
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -30.591
flat angles P-C4'-P energy: -15.156
tors. eta vs tors. theta energy: -16.185
Dist. restrs. and SS energy: 3.349 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -333.659294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.659294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.694811 (E_RNA)
where:
Base-Base interactions energy: -234.047
where: short stacking energy: -88.672
Base-Backbone interact. energy: 0.747
local terms energy: -100.395006
where:
bonds (distance) C4'-P energy: -17.966
bonds (distance) P-C4' energy: -26.676
flat angles C4'-P-C4' energy: -28.577
flat angles P-C4'-P energy: -9.575
tors. eta vs tors. theta energy: -17.601
Dist. restrs. and SS energy: 0.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -270.652659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.652659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.796447 (E_RNA)
where:
Base-Base interactions energy: -175.343
where: short stacking energy: -70.480
Base-Backbone interact. energy: -0.215
local terms energy: -97.237997
where:
bonds (distance) C4'-P energy: -27.467
bonds (distance) P-C4' energy: -23.244
flat angles C4'-P-C4' energy: -21.139
flat angles P-C4'-P energy: -10.989
tors. eta vs tors. theta energy: -14.398
Dist. restrs. and SS energy: 2.144 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -231.398196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.398196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.087906 (E_RNA)
where:
Base-Base interactions energy: -150.476
where: short stacking energy: -62.506
Base-Backbone interact. energy: 0.348
local terms energy: -84.959375
where:
bonds (distance) C4'-P energy: -12.030
bonds (distance) P-C4' energy: -23.582
flat angles C4'-P-C4' energy: -20.084
flat angles P-C4'-P energy: -12.571
tors. eta vs tors. theta energy: -16.692
Dist. restrs. and SS energy: 3.690 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -366.339096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.339096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.660533 (E_RNA)
where:
Base-Base interactions energy: -241.489
where: short stacking energy: -95.535
Base-Backbone interact. energy: -0.414
local terms energy: -125.757289
where:
bonds (distance) C4'-P energy: -29.416
bonds (distance) P-C4' energy: -27.324
flat angles C4'-P-C4' energy: -25.196
flat angles P-C4'-P energy: -16.999
tors. eta vs tors. theta energy: -26.822
Dist. restrs. and SS energy: 1.321 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -294.220410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.220410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.061930 (E_RNA)
where:
Base-Base interactions energy: -194.004
where: short stacking energy: -67.701
Base-Backbone interact. energy: -0.403
local terms energy: -103.654610
where:
bonds (distance) C4'-P energy: -27.859
bonds (distance) P-C4' energy: -20.366
flat angles C4'-P-C4' energy: -26.665
flat angles P-C4'-P energy: -18.885
tors. eta vs tors. theta energy: -9.880
Dist. restrs. and SS energy: 3.842 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -348.746768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.746768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.779031 (E_RNA)
where:
Base-Base interactions energy: -221.186
where: short stacking energy: -101.049
Base-Backbone interact. energy: -0.611
local terms energy: -127.981863
where:
bonds (distance) C4'-P energy: -27.217
bonds (distance) P-C4' energy: -29.898
flat angles C4'-P-C4' energy: -27.921
flat angles P-C4'-P energy: -15.518
tors. eta vs tors. theta energy: -27.427
Dist. restrs. and SS energy: 1.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -358.652381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.652381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.060083 (E_RNA)
where:
Base-Base interactions energy: -244.447
where: short stacking energy: -93.273
Base-Backbone interact. energy: -0.502
local terms energy: -114.111417
where:
bonds (distance) C4'-P energy: -21.018
bonds (distance) P-C4' energy: -26.993
flat angles C4'-P-C4' energy: -27.826
flat angles P-C4'-P energy: -14.588
tors. eta vs tors. theta energy: -23.687
Dist. restrs. and SS energy: 0.408 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -382.637159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.637159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.219135 (E_RNA)
where:
Base-Base interactions energy: -260.447
where: short stacking energy: -109.780
Base-Backbone interact. energy: 0.568
local terms energy: -125.340355
where:
bonds (distance) C4'-P energy: -24.236
bonds (distance) P-C4' energy: -30.894
flat angles C4'-P-C4' energy: -27.059
flat angles P-C4'-P energy: -15.462
tors. eta vs tors. theta energy: -27.689
Dist. restrs. and SS energy: 2.582 (S_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: 4
Temperature: 1.150000
Total energy: -321.983469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.983469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.857971 (E_RNA)
where:
Base-Base interactions energy: -200.787
where: short stacking energy: -78.080
Base-Backbone interact. energy: -0.295
local terms energy: -123.776290
where:
bonds (distance) C4'-P energy: -29.415
bonds (distance) P-C4' energy: -26.033
flat angles C4'-P-C4' energy: -27.616
flat angles P-C4'-P energy: -16.277
tors. eta vs tors. theta energy: -24.436
Dist. restrs. and SS energy: 2.875 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -365.547582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.547582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.789272 (E_RNA)
where:
Base-Base interactions energy: -251.461
where: short stacking energy: -91.886
Base-Backbone interact. energy: -0.656
local terms energy: -113.671704
where:
bonds (distance) C4'-P energy: -23.125
bonds (distance) P-C4' energy: -23.216
flat angles C4'-P-C4' energy: -24.442
flat angles P-C4'-P energy: -14.511
tors. eta vs tors. theta energy: -28.377
Dist. restrs. and SS energy: 0.242 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -303.481677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.481677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.606475 (E_RNA)
where:
Base-Base interactions energy: -199.728
where: short stacking energy: -87.540
Base-Backbone interact. energy: -0.294
local terms energy: -107.584816
where:
bonds (distance) C4'-P energy: -17.864
bonds (distance) P-C4' energy: -29.049
flat angles C4'-P-C4' energy: -23.474
flat angles P-C4'-P energy: -17.431
tors. eta vs tors. theta energy: -19.767
Dist. restrs. and SS energy: 4.125 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -283.008241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.008241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.146458 (E_RNA)
where:
Base-Base interactions energy: -178.298
where: short stacking energy: -70.735
Base-Backbone interact. energy: 1.609
local terms energy: -107.457627
where:
bonds (distance) C4'-P energy: -28.159
bonds (distance) P-C4' energy: -24.970
flat angles C4'-P-C4' energy: -19.127
flat angles P-C4'-P energy: -11.984
tors. eta vs tors. theta energy: -23.218
Dist. restrs. and SS energy: 1.138 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -268.962870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.962870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.183783 (E_RNA)
where:
Base-Base interactions energy: -172.376
where: short stacking energy: -58.207
Base-Backbone interact. energy: -0.146
local terms energy: -97.661746
where:
bonds (distance) C4'-P energy: -28.812
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -20.947
flat angles P-C4'-P energy: -16.295
tors. eta vs tors. theta energy: -14.932
Dist. restrs. and SS energy: 1.221 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -383.027852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.027852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.001415 (E_RNA)
where:
Base-Base interactions energy: -252.891
where: short stacking energy: -104.670
Base-Backbone interact. energy: -0.489
local terms energy: -130.620691
where:
bonds (distance) C4'-P energy: -30.551
bonds (distance) P-C4' energy: -22.975
flat angles C4'-P-C4' energy: -31.480
flat angles P-C4'-P energy: -18.184
tors. eta vs tors. theta energy: -27.431
Dist. restrs. and SS energy: 0.974 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -358.467068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.467068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.682947 (E_RNA)
where:
Base-Base interactions energy: -243.183
where: short stacking energy: -101.999
Base-Backbone interact. energy: 0.212
local terms energy: -116.712494
where:
bonds (distance) C4'-P energy: -20.469
bonds (distance) P-C4' energy: -27.442
flat angles C4'-P-C4' energy: -22.021
flat angles P-C4'-P energy: -18.103
tors. eta vs tors. theta energy: -28.678
Dist. restrs. and SS energy: 1.216 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -280.098360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.098360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.287351 (E_RNA)
where:
Base-Base interactions energy: -185.042
where: short stacking energy: -61.968
Base-Backbone interact. energy: -0.411
local terms energy: -99.834275
where:
bonds (distance) C4'-P energy: -21.397
bonds (distance) P-C4' energy: -28.865
flat angles C4'-P-C4' energy: -24.595
flat angles P-C4'-P energy: -12.376
tors. eta vs tors. theta energy: -12.601
Dist. restrs. and SS energy: 5.189 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -359.950748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.950748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.114109 (E_RNA)
where:
Base-Base interactions energy: -244.577
where: short stacking energy: -102.910
Base-Backbone interact. energy: -0.240
local terms energy: -115.297857
where:
bonds (distance) C4'-P energy: -20.888
bonds (distance) P-C4' energy: -24.768
flat angles C4'-P-C4' energy: -23.119
flat angles P-C4'-P energy: -18.215
tors. eta vs tors. theta energy: -28.308
Dist. restrs. and SS energy: 0.163 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -377.456933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.456933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.804925 (E_RNA)
where:
Base-Base interactions energy: -265.263
where: short stacking energy: -108.603
Base-Backbone interact. energy: -0.132
local terms energy: -112.410274
where:
bonds (distance) C4'-P energy: -23.703
bonds (distance) P-C4' energy: -22.215
flat angles C4'-P-C4' energy: -21.534
flat angles P-C4'-P energy: -15.706
tors. eta vs tors. theta energy: -29.252
Dist. restrs. and SS energy: 0.348 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -376.446438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.446438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.727681 (E_RNA)
where:
Base-Base interactions energy: -260.960
where: short stacking energy: -100.626
Base-Backbone interact. energy: -1.099
local terms energy: -114.668796
where:
bonds (distance) C4'-P energy: -27.698
bonds (distance) P-C4' energy: -25.331
flat angles C4'-P-C4' energy: -29.388
flat angles P-C4'-P energy: -6.538
tors. eta vs tors. theta energy: -25.714
Dist. restrs. and SS energy: 0.281 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -318.648073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.648073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.265804 (E_RNA)
where:
Base-Base interactions energy: -215.307
where: short stacking energy: -72.368
Base-Backbone interact. energy: 1.098
local terms energy: -106.056620
where:
bonds (distance) C4'-P energy: -23.339
bonds (distance) P-C4' energy: -24.751
flat angles C4'-P-C4' energy: -20.924
flat angles P-C4'-P energy: -13.893
tors. eta vs tors. theta energy: -23.148
Dist. restrs. and SS energy: 1.618 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -329.417989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.417989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.057009 (E_RNA)
where:
Base-Base interactions energy: -229.185
where: short stacking energy: -91.131
Base-Backbone interact. energy: -0.312
local terms energy: -100.559357
where:
bonds (distance) C4'-P energy: -19.222
bonds (distance) P-C4' energy: -25.760
flat angles C4'-P-C4' energy: -22.772
flat angles P-C4'-P energy: -15.457
tors. eta vs tors. theta energy: -17.349
Dist. restrs. and SS energy: 0.639 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -285.769415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.769415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.891210 (E_RNA)
where:
Base-Base interactions energy: -190.966
where: short stacking energy: -76.368
Base-Backbone interact. energy: -0.787
local terms energy: -96.138159
where:
bonds (distance) C4'-P energy: -11.134
bonds (distance) P-C4' energy: -27.658
flat angles C4'-P-C4' energy: -23.345
flat angles P-C4'-P energy: -16.817
tors. eta vs tors. theta energy: -17.185
Dist. restrs. and SS energy: 2.122 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -295.986312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.986312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.662410 (E_RNA)
where:
Base-Base interactions energy: -207.719
where: short stacking energy: -72.600
Base-Backbone interact. energy: -0.220
local terms energy: -88.723101
where:
bonds (distance) C4'-P energy: -22.917
bonds (distance) P-C4' energy: -17.507
flat angles C4'-P-C4' energy: -16.109
flat angles P-C4'-P energy: -14.023
tors. eta vs tors. theta energy: -18.168
Dist. restrs. and SS energy: 0.676 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -380.992029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.992029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.895125 (E_RNA)
where:
Base-Base interactions energy: -251.922
where: short stacking energy: -101.609
Base-Backbone interact. energy: -0.506
local terms energy: -130.466697
where:
bonds (distance) C4'-P energy: -30.493
bonds (distance) P-C4' energy: -22.125
flat angles C4'-P-C4' energy: -31.210
flat angles P-C4'-P energy: -17.449
tors. eta vs tors. theta energy: -29.189
Dist. restrs. and SS energy: 1.903 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -354.591987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.591987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.936647 (E_RNA)
where:
Base-Base interactions energy: -223.095
where: short stacking energy: -96.109
Base-Backbone interact. energy: -0.359
local terms energy: -132.482584
where:
bonds (distance) C4'-P energy: -30.057
bonds (distance) P-C4' energy: -29.033
flat angles C4'-P-C4' energy: -29.653
flat angles P-C4'-P energy: -17.572
tors. eta vs tors. theta energy: -26.167
Dist. restrs. and SS energy: 1.345 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -367.920931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.920931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.242446 (E_RNA)
where:
Base-Base interactions energy: -242.730
where: short stacking energy: -99.067
Base-Backbone interact. energy: -0.100
local terms energy: -125.412386
where:
bonds (distance) C4'-P energy: -25.671
bonds (distance) P-C4' energy: -27.376
flat angles C4'-P-C4' energy: -30.845
flat angles P-C4'-P energy: -19.739
tors. eta vs tors. theta energy: -21.781
Dist. restrs. and SS energy: 0.322 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -283.084266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.084266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.574068 (E_RNA)
where:
Base-Base interactions energy: -186.502
where: short stacking energy: -59.174
Base-Backbone interact. energy: 0.666
local terms energy: -106.737902
where:
bonds (distance) C4'-P energy: -23.327
bonds (distance) P-C4' energy: -27.434
flat angles C4'-P-C4' energy: -28.663
flat angles P-C4'-P energy: -11.132
tors. eta vs tors. theta energy: -16.182
Dist. restrs. and SS energy: 9.490 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -385.313126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.313126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.577599 (E_RNA)
where:
Base-Base interactions energy: -266.705
where: short stacking energy: -93.194
Base-Backbone interact. energy: -0.453
local terms energy: -118.419404
where:
bonds (distance) C4'-P energy: -21.247
bonds (distance) P-C4' energy: -28.990
flat angles C4'-P-C4' energy: -23.548
flat angles P-C4'-P energy: -17.939
tors. eta vs tors. theta energy: -26.696
Dist. restrs. and SS energy: 0.264 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -362.705747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.705747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.899498 (E_RNA)
where:
Base-Base interactions energy: -246.929
where: short stacking energy: -84.998
Base-Backbone interact. energy: -0.972
local terms energy: -114.997772
where:
bonds (distance) C4'-P energy: -22.718
bonds (distance) P-C4' energy: -25.698
flat angles C4'-P-C4' energy: -26.785
flat angles P-C4'-P energy: -16.944
tors. eta vs tors. theta energy: -22.852
Dist. restrs. and SS energy: 0.194 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -349.957355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.957355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.455517 (E_RNA)
where:
Base-Base interactions energy: -236.975
where: short stacking energy: -91.181
Base-Backbone interact. energy: -0.292
local terms energy: -113.188509
where:
bonds (distance) C4'-P energy: -20.886
bonds (distance) P-C4' energy: -24.902
flat angles C4'-P-C4' energy: -22.373
flat angles P-C4'-P energy: -18.010
tors. eta vs tors. theta energy: -27.017
Dist. restrs. and SS energy: 0.498 (S_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: 6
Temperature: 1.250000
Total energy: -287.921332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.921332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.176872 (E_RNA)
where:
Base-Base interactions energy: -197.362
where: short stacking energy: -75.024
Base-Backbone interact. energy: -0.708
local terms energy: -91.107483
where:
bonds (distance) C4'-P energy: -22.500
bonds (distance) P-C4' energy: -17.097
flat angles C4'-P-C4' energy: -23.525
flat angles P-C4'-P energy: -12.529
tors. eta vs tors. theta energy: -15.456
Dist. restrs. and SS energy: 1.256 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -289.439199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.439199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.611522 (E_RNA)
where:
Base-Base interactions energy: -184.908
where: short stacking energy: -81.993
Base-Backbone interact. energy: 0.281
local terms energy: -107.984199
where:
bonds (distance) C4'-P energy: -28.393
bonds (distance) P-C4' energy: -23.021
flat angles C4'-P-C4' energy: -20.712
flat angles P-C4'-P energy: -11.682
tors. eta vs tors. theta energy: -24.176
Dist. restrs. and SS energy: 3.172 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -332.849935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.849935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.554173 (E_RNA)
where:
Base-Base interactions energy: -227.917
where: short stacking energy: -79.742
Base-Backbone interact. energy: -0.342
local terms energy: -105.294843
where:
bonds (distance) C4'-P energy: -22.059
bonds (distance) P-C4' energy: -22.114
flat angles C4'-P-C4' energy: -20.722
flat angles P-C4'-P energy: -17.748
tors. eta vs tors. theta energy: -22.652
Dist. restrs. and SS energy: 0.704 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -371.534617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.534617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.148477 (E_RNA)
where:
Base-Base interactions energy: -260.538
where: short stacking energy: -101.870
Base-Backbone interact. energy: -0.127
local terms energy: -112.482719
where:
bonds (distance) C4'-P energy: -26.951
bonds (distance) P-C4' energy: -26.316
flat angles C4'-P-C4' energy: -26.021
flat angles P-C4'-P energy: -9.890
tors. eta vs tors. theta energy: -23.305
Dist. restrs. and SS energy: 1.614 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -388.129561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.129561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.180070 (E_RNA)
where:
Base-Base interactions energy: -260.499
where: short stacking energy: -106.008
Base-Backbone interact. energy: -0.355
local terms energy: -127.326341
where:
bonds (distance) C4'-P energy: -29.123
bonds (distance) P-C4' energy: -25.393
flat angles C4'-P-C4' energy: -27.564
flat angles P-C4'-P energy: -17.381
tors. eta vs tors. theta energy: -27.865
Dist. restrs. and SS energy: 0.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -362.192968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.192968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.144598 (E_RNA)
where:
Base-Base interactions energy: -229.364
where: short stacking energy: -95.520
Base-Backbone interact. energy: -0.271
local terms energy: -133.509522
where:
bonds (distance) C4'-P energy: -29.309
bonds (distance) P-C4' energy: -27.258
flat angles C4'-P-C4' energy: -25.590
flat angles P-C4'-P energy: -19.312
tors. eta vs tors. theta energy: -32.039
Dist. restrs. and SS energy: 0.952 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -398.063130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.063130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.845399 (E_RNA)
where:
Base-Base interactions energy: -269.999
where: short stacking energy: -106.185
Base-Backbone interact. energy: -0.526
local terms energy: -128.319664
where:
bonds (distance) C4'-P energy: -21.269
bonds (distance) P-C4' energy: -29.643
flat angles C4'-P-C4' energy: -26.611
flat angles P-C4'-P energy: -18.787
tors. eta vs tors. theta energy: -32.010
Dist. restrs. and SS energy: 0.782 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -288.547168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.547168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.224898 (E_RNA)
where:
Base-Base interactions energy: -198.549
where: short stacking energy: -58.296
Base-Backbone interact. energy: -0.389
local terms energy: -92.287498
where:
bonds (distance) C4'-P energy: -24.814
bonds (distance) P-C4' energy: -17.979
flat angles C4'-P-C4' energy: -20.542
flat angles P-C4'-P energy: -16.843
tors. eta vs tors. theta energy: -12.109
Dist. restrs. and SS energy: 2.678 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -357.799022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.799022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.136228 (E_RNA)
where:
Base-Base interactions energy: -244.091
where: short stacking energy: -100.234
Base-Backbone interact. energy: -0.843
local terms energy: -113.202798
where:
bonds (distance) C4'-P energy: -23.504
bonds (distance) P-C4' energy: -26.167
flat angles C4'-P-C4' energy: -22.165
flat angles P-C4'-P energy: -17.502
tors. eta vs tors. theta energy: -23.864
Dist. restrs. and SS energy: 0.337 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -358.908136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.908136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.282954 (E_RNA)
where:
Base-Base interactions energy: -242.636
where: short stacking energy: -86.165
Base-Backbone interact. energy: -2.062
local terms energy: -114.584672
where:
bonds (distance) C4'-P energy: -25.504
bonds (distance) P-C4' energy: -27.326
flat angles C4'-P-C4' energy: -20.618
flat angles P-C4'-P energy: -17.148
tors. eta vs tors. theta energy: -23.988
Dist. restrs. and SS energy: 0.375 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -289.002666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.002666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.431019 (E_RNA)
where:
Base-Base interactions energy: -176.354
where: short stacking energy: -79.266
Base-Backbone interact. energy: -1.691
local terms energy: -114.386554
where:
bonds (distance) C4'-P energy: -24.450
bonds (distance) P-C4' energy: -31.918
flat angles C4'-P-C4' energy: -26.301
flat angles P-C4'-P energy: -18.242
tors. eta vs tors. theta energy: -13.476
Dist. restrs. and SS energy: 3.428 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -293.932481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.932481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.471265 (E_RNA)
where:
Base-Base interactions energy: -201.106
where: short stacking energy: -70.831
Base-Backbone interact. energy: -0.993
local terms energy: -92.372656
where:
bonds (distance) C4'-P energy: -16.133
bonds (distance) P-C4' energy: -28.365
flat angles C4'-P-C4' energy: -20.421
flat angles P-C4'-P energy: -6.884
tors. eta vs tors. theta energy: -20.570
Dist. restrs. and SS energy: 0.539 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -313.427628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.427628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.706136 (E_RNA)
where:
Base-Base interactions energy: -219.269
where: short stacking energy: -85.622
Base-Backbone interact. energy: -1.280
local terms energy: -96.156584
where:
bonds (distance) C4'-P energy: -24.261
bonds (distance) P-C4' energy: -20.328
flat angles C4'-P-C4' energy: -22.496
flat angles P-C4'-P energy: -8.905
tors. eta vs tors. theta energy: -20.166
Dist. restrs. and SS energy: 3.279 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -397.769724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.769724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.778498 (E_RNA)
where:
Base-Base interactions energy: -265.357
where: short stacking energy: -112.017
Base-Backbone interact. energy: -0.570
local terms energy: -131.851259
where:
bonds (distance) C4'-P energy: -28.354
bonds (distance) P-C4' energy: -28.584
flat angles C4'-P-C4' energy: -29.229
flat angles P-C4'-P energy: -15.631
tors. eta vs tors. theta energy: -30.054
Dist. restrs. and SS energy: 0.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -362.851531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.851531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.632177 (E_RNA)
where:
Base-Base interactions energy: -243.470
where: short stacking energy: -95.627
Base-Backbone interact. energy: -0.104
local terms energy: -121.058546
where:
bonds (distance) C4'-P energy: -29.582
bonds (distance) P-C4' energy: -27.540
flat angles C4'-P-C4' energy: -27.552
flat angles P-C4'-P energy: -14.393
tors. eta vs tors. theta energy: -21.990
Dist. restrs. and SS energy: 1.781 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -411.094026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.094026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.228843 (E_RNA)
where:
Base-Base interactions energy: -279.437
where: short stacking energy: -113.179
Base-Backbone interact. energy: -1.042
local terms energy: -130.750226
where:
bonds (distance) C4'-P energy: -24.592
bonds (distance) P-C4' energy: -24.956
flat angles C4'-P-C4' energy: -27.435
flat angles P-C4'-P energy: -17.095
tors. eta vs tors. theta energy: -36.673
Dist. restrs. and SS energy: 0.135 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -352.599531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.599531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.018916 (E_RNA)
where:
Base-Base interactions energy: -231.535
where: short stacking energy: -85.575
Base-Backbone interact. energy: -0.197
local terms energy: -122.286801
where:
bonds (distance) C4'-P energy: -25.150
bonds (distance) P-C4' energy: -26.906
flat angles C4'-P-C4' energy: -27.241
flat angles P-C4'-P energy: -13.004
tors. eta vs tors. theta energy: -29.986
Dist. restrs. and SS energy: 1.419 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -373.655273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.655273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.941761 (E_RNA)
where:
Base-Base interactions energy: -257.093
where: short stacking energy: -112.870
Base-Backbone interact. energy: -1.300
local terms energy: -115.548628
where:
bonds (distance) C4'-P energy: -23.112
bonds (distance) P-C4' energy: -21.655
flat angles C4'-P-C4' energy: -22.651
flat angles P-C4'-P energy: -17.449
tors. eta vs tors. theta energy: -30.682
Dist. restrs. and SS energy: 0.286 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -259.705189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.705189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.407991 (E_RNA)
where:
Base-Base interactions energy: -162.085
where: short stacking energy: -74.963
Base-Backbone interact. energy: -0.515
local terms energy: -106.807263
where:
bonds (distance) C4'-P energy: -21.131
bonds (distance) P-C4' energy: -28.694
flat angles C4'-P-C4' energy: -23.927
flat angles P-C4'-P energy: -12.866
tors. eta vs tors. theta energy: -20.188
Dist. restrs. and SS energy: 9.703 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -359.437759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.437759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.668728 (E_RNA)
where:
Base-Base interactions energy: -239.020
where: short stacking energy: -93.151
Base-Backbone interact. energy: -0.264
local terms energy: -120.384848
where:
bonds (distance) C4'-P energy: -24.553
bonds (distance) P-C4' energy: -27.447
flat angles C4'-P-C4' energy: -23.970
flat angles P-C4'-P energy: -16.512
tors. eta vs tors. theta energy: -27.903
Dist. restrs. and SS energy: 0.231 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -286.006162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.006162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.185018 (E_RNA)
where:
Base-Base interactions energy: -182.476
where: short stacking energy: -76.396
Base-Backbone interact. energy: 0.200
local terms energy: -107.909303
where:
bonds (distance) C4'-P energy: -20.496
bonds (distance) P-C4' energy: -26.018
flat angles C4'-P-C4' energy: -25.335
flat angles P-C4'-P energy: -14.089
tors. eta vs tors. theta energy: -21.971
Dist. restrs. and SS energy: 4.179 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -338.646637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.646637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.968888 (E_RNA)
where:
Base-Base interactions energy: -229.197
where: short stacking energy: -98.381
Base-Backbone interact. energy: -0.411
local terms energy: -112.361062
where:
bonds (distance) C4'-P energy: -24.583
bonds (distance) P-C4' energy: -23.349
flat angles C4'-P-C4' energy: -29.098
flat angles P-C4'-P energy: -4.400
tors. eta vs tors. theta energy: -30.931
Dist. restrs. and SS energy: 3.322 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -290.814389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.814389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.001191 (E_RNA)
where:
Base-Base interactions energy: -189.050
where: short stacking energy: -61.148
Base-Backbone interact. energy: 1.571
local terms energy: -104.522333
where:
bonds (distance) C4'-P energy: -25.521
bonds (distance) P-C4' energy: -23.332
flat angles C4'-P-C4' energy: -21.931
flat angles P-C4'-P energy: -10.731
tors. eta vs tors. theta energy: -23.007
Dist. restrs. and SS energy: 1.187 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -393.793984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.793984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.026027 (E_RNA)
where:
Base-Base interactions energy: -267.583
where: short stacking energy: -116.369
Base-Backbone interact. energy: -0.189
local terms energy: -126.254214
where:
bonds (distance) C4'-P energy: -24.520
bonds (distance) P-C4' energy: -29.124
flat angles C4'-P-C4' energy: -26.851
flat angles P-C4'-P energy: -16.973
tors. eta vs tors. theta energy: -28.786
Dist. restrs. and SS energy: 0.232 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -408.303464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.303464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.420079 (E_RNA)
where:
Base-Base interactions energy: -285.937
where: short stacking energy: -112.278
Base-Backbone interact. energy: -0.830
local terms energy: -121.652324
where:
bonds (distance) C4'-P energy: -26.335
bonds (distance) P-C4' energy: -22.305
flat angles C4'-P-C4' energy: -23.971
flat angles P-C4'-P energy: -16.445
tors. eta vs tors. theta energy: -32.597
Dist. restrs. and SS energy: 0.117 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -343.523015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.523015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.328406 (E_RNA)
where:
Base-Base interactions energy: -227.031
where: short stacking energy: -83.449
Base-Backbone interact. energy: -0.008
local terms energy: -117.289362
where:
bonds (distance) C4'-P energy: -23.772
bonds (distance) P-C4' energy: -26.281
flat angles C4'-P-C4' energy: -27.968
flat angles P-C4'-P energy: -16.227
tors. eta vs tors. theta energy: -23.041
Dist. restrs. and SS energy: 0.805 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -386.745215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.745215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.790137 (E_RNA)
where:
Base-Base interactions energy: -268.255
where: short stacking energy: -107.872
Base-Backbone interact. energy: -0.031
local terms energy: -118.504395
where:
bonds (distance) C4'-P energy: -24.335
bonds (distance) P-C4' energy: -19.442
flat angles C4'-P-C4' energy: -30.029
flat angles P-C4'-P energy: -14.736
tors. eta vs tors. theta energy: -29.962
Dist. restrs. and SS energy: 0.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -367.001986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.001986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.291184 (E_RNA)
where:
Base-Base interactions energy: -240.518
where: short stacking energy: -103.657
Base-Backbone interact. energy: -0.195
local terms energy: -127.578785
where:
bonds (distance) C4'-P energy: -25.770
bonds (distance) P-C4' energy: -27.540
flat angles C4'-P-C4' energy: -28.821
flat angles P-C4'-P energy: -18.978
tors. eta vs tors. theta energy: -26.469
Dist. restrs. and SS energy: 1.289 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -360.651975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.651975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.078170 (E_RNA)
where:
Base-Base interactions energy: -249.904
where: short stacking energy: -97.845
Base-Backbone interact. energy: 1.281
local terms energy: -112.454881
where:
bonds (distance) C4'-P energy: -22.411
bonds (distance) P-C4' energy: -28.297
flat angles C4'-P-C4' energy: -19.802
flat angles P-C4'-P energy: -18.409
tors. eta vs tors. theta energy: -23.536
Dist. restrs. and SS energy: 0.426 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -300.915544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.915544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.253922 (E_RNA)
where:
Base-Base interactions energy: -190.758
where: short stacking energy: -82.614
Base-Backbone interact. energy: 0.311
local terms energy: -111.807774
where:
bonds (distance) C4'-P energy: -20.420
bonds (distance) P-C4' energy: -26.680
flat angles C4'-P-C4' energy: -21.461
flat angles P-C4'-P energy: -18.015
tors. eta vs tors. theta energy: -25.232
Dist. restrs. and SS energy: 1.338 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -333.622245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.622245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.568312 (E_RNA)
where:
Base-Base interactions energy: -228.227
where: short stacking energy: -83.151
Base-Backbone interact. energy: -0.955
local terms energy: -108.386762
where:
bonds (distance) C4'-P energy: -23.454
bonds (distance) P-C4' energy: -28.304
flat angles C4'-P-C4' energy: -23.878
flat angles P-C4'-P energy: -10.132
tors. eta vs tors. theta energy: -22.619
Dist. restrs. and SS energy: 3.946 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -290.502609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.502609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.044132 (E_RNA)
where:
Base-Base interactions energy: -194.793
where: short stacking energy: -81.766
Base-Backbone interact. energy: 0.226
local terms energy: -97.477581
where:
bonds (distance) C4'-P energy: -15.244
bonds (distance) P-C4' energy: -21.312
flat angles C4'-P-C4' energy: -25.970
flat angles P-C4'-P energy: -15.708
tors. eta vs tors. theta energy: -19.244
Dist. restrs. and SS energy: 1.542 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -282.304661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.304661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.685488 (E_RNA)
where:
Base-Base interactions energy: -178.525
where: short stacking energy: -74.039
Base-Backbone interact. energy: 0.354
local terms energy: -107.513762
where:
bonds (distance) C4'-P energy: -23.062
bonds (distance) P-C4' energy: -28.448
flat angles C4'-P-C4' energy: -16.806
flat angles P-C4'-P energy: -16.432
tors. eta vs tors. theta energy: -22.766
Dist. restrs. and SS energy: 3.381 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -429.651596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.651596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.734504 (E_RNA)
where:
Base-Base interactions energy: -287.198
where: short stacking energy: -113.715
Base-Backbone interact. energy: -1.626
local terms energy: -140.909721
where:
bonds (distance) C4'-P energy: -25.748
bonds (distance) P-C4' energy: -25.097
flat angles C4'-P-C4' energy: -30.537
flat angles P-C4'-P energy: -23.150
tors. eta vs tors. theta energy: -36.377
Dist. restrs. and SS energy: 0.083 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -400.566806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.566806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.781614 (E_RNA)
where:
Base-Base interactions energy: -261.048
where: short stacking energy: -115.497
Base-Backbone interact. energy: -1.011
local terms energy: -138.723218
where:
bonds (distance) C4'-P energy: -26.416
bonds (distance) P-C4' energy: -22.597
flat angles C4'-P-C4' energy: -32.136
flat angles P-C4'-P energy: -22.585
tors. eta vs tors. theta energy: -34.989
Dist. restrs. and SS energy: 0.215 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -378.615303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.615303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.854143 (E_RNA)
where:
Base-Base interactions energy: -252.555
where: short stacking energy: -92.591
Base-Backbone interact. energy: 0.424
local terms energy: -126.723134
where:
bonds (distance) C4'-P energy: -23.790
bonds (distance) P-C4' energy: -30.114
flat angles C4'-P-C4' energy: -27.916
flat angles P-C4'-P energy: -18.709
tors. eta vs tors. theta energy: -26.194
Dist. restrs. and SS energy: 0.239 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -329.808599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.808599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.625910 (E_RNA)
where:
Base-Base interactions energy: -216.228
where: short stacking energy: -87.674
Base-Backbone interact. energy: -0.617
local terms energy: -113.781274
where:
bonds (distance) C4'-P energy: -21.907
bonds (distance) P-C4' energy: -26.997
flat angles C4'-P-C4' energy: -28.500
flat angles P-C4'-P energy: -14.459
tors. eta vs tors. theta energy: -21.918
Dist. restrs. and SS energy: 0.817 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -376.730756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.730756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.097378 (E_RNA)
where:
Base-Base interactions energy: -243.515
where: short stacking energy: -104.153
Base-Backbone interact. energy: -1.497
local terms energy: -132.085653
where:
bonds (distance) C4'-P energy: -30.308
bonds (distance) P-C4' energy: -27.815
flat angles C4'-P-C4' energy: -27.052
flat angles P-C4'-P energy: -13.383
tors. eta vs tors. theta energy: -33.528
Dist. restrs. and SS energy: 0.367 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -339.023383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.023383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.671158 (E_RNA)
where:
Base-Base interactions energy: -224.964
where: short stacking energy: -89.839
Base-Backbone interact. energy: -0.140
local terms energy: -115.567228
where:
bonds (distance) C4'-P energy: -25.658
bonds (distance) P-C4' energy: -21.870
flat angles C4'-P-C4' energy: -24.913
flat angles P-C4'-P energy: -19.439
tors. eta vs tors. theta energy: -23.688
Dist. restrs. and SS energy: 1.648 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -319.524430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.524430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.744734 (E_RNA)
where:
Base-Base interactions energy: -210.371
where: short stacking energy: -92.427
Base-Backbone interact. energy: -0.303
local terms energy: -112.070839
where:
bonds (distance) C4'-P energy: -22.334
bonds (distance) P-C4' energy: -30.174
flat angles C4'-P-C4' energy: -18.256
flat angles P-C4'-P energy: -17.651
tors. eta vs tors. theta energy: -23.656
Dist. restrs. and SS energy: 3.220 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -336.063074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.063074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.808342 (E_RNA)
where:
Base-Base interactions energy: -219.225
where: short stacking energy: -89.380
Base-Backbone interact. energy: -0.280
local terms energy: -119.302956
where:
bonds (distance) C4'-P energy: -26.475
bonds (distance) P-C4' energy: -26.015
flat angles C4'-P-C4' energy: -25.613
flat angles P-C4'-P energy: -17.932
tors. eta vs tors. theta energy: -23.268
Dist. restrs. and SS energy: 2.745 (S_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: 10
Temperature: 1.300000
Total energy: -297.109694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.109694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.963472 (E_RNA)
where:
Base-Base interactions energy: -218.680
where: short stacking energy: -81.349
Base-Backbone interact. energy: 0.241
local terms energy: -79.524803
where:
bonds (distance) C4'-P energy: -18.581
bonds (distance) P-C4' energy: -18.669
flat angles C4'-P-C4' energy: -14.977
flat angles P-C4'-P energy: -8.565
tors. eta vs tors. theta energy: -18.733
Dist. restrs. and SS energy: 0.854 (S_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: -286.351515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.351515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.243673 (E_RNA)
where:
Base-Base interactions energy: -193.095
where: short stacking energy: -81.420
Base-Backbone interact. energy: -0.428
local terms energy: -96.720717
where:
bonds (distance) C4'-P energy: -25.516
bonds (distance) P-C4' energy: -23.056
flat angles C4'-P-C4' energy: -21.633
flat angles P-C4'-P energy: -10.137
tors. eta vs tors. theta energy: -16.379
Dist. restrs. and SS energy: 3.892 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -431.726612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.726612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.929123 (E_RNA)
where:
Base-Base interactions energy: -295.530
where: short stacking energy: -125.667
Base-Backbone interact. energy: -2.969
local terms energy: -133.429950
where:
bonds (distance) C4'-P energy: -24.822
bonds (distance) P-C4' energy: -23.717
flat angles C4'-P-C4' energy: -29.406
flat angles P-C4'-P energy: -20.253
tors. eta vs tors. theta energy: -35.232
Dist. restrs. and SS energy: 0.203 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -402.997150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.997150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.215239 (E_RNA)
where:
Base-Base interactions energy: -277.214
where: short stacking energy: -118.556
Base-Backbone interact. energy: -0.320
local terms energy: -125.681260
where:
bonds (distance) C4'-P energy: -22.326
bonds (distance) P-C4' energy: -28.193
flat angles C4'-P-C4' energy: -26.234
flat angles P-C4'-P energy: -18.949
tors. eta vs tors. theta energy: -29.979
Dist. restrs. and SS energy: 0.218 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -388.280894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.280894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.360463 (E_RNA)
where:
Base-Base interactions energy: -261.473
where: short stacking energy: -99.068
Base-Backbone interact. energy: -1.134
local terms energy: -125.753970
where:
bonds (distance) C4'-P energy: -24.052
bonds (distance) P-C4' energy: -27.667
flat angles C4'-P-C4' energy: -28.479
flat angles P-C4'-P energy: -20.929
tors. eta vs tors. theta energy: -24.627
Dist. restrs. and SS energy: 0.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -395.143916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.143916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.659264 (E_RNA)
where:
Base-Base interactions energy: -268.288
where: short stacking energy: -109.317
Base-Backbone interact. energy: -1.417
local terms energy: -125.954594
where:
bonds (distance) C4'-P energy: -25.381
bonds (distance) P-C4' energy: -28.616
flat angles C4'-P-C4' energy: -25.026
flat angles P-C4'-P energy: -17.236
tors. eta vs tors. theta energy: -29.696
Dist. restrs. and SS energy: 0.515 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -325.702459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.702459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.901461 (E_RNA)
where:
Base-Base interactions energy: -223.391
where: short stacking energy: -87.925
Base-Backbone interact. energy: -0.558
local terms energy: -102.952763
where:
bonds (distance) C4'-P energy: -19.803
bonds (distance) P-C4' energy: -20.226
flat angles C4'-P-C4' energy: -26.247
flat angles P-C4'-P energy: -14.936
tors. eta vs tors. theta energy: -21.740
Dist. restrs. and SS energy: 1.199 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -336.902734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.902734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.683849 (E_RNA)
where:
Base-Base interactions energy: -237.087
where: short stacking energy: -78.239
Base-Backbone interact. energy: -0.326
local terms energy: -101.271066
where:
bonds (distance) C4'-P energy: -17.312
bonds (distance) P-C4' energy: -28.663
flat angles C4'-P-C4' energy: -19.271
flat angles P-C4'-P energy: -16.884
tors. eta vs tors. theta energy: -19.140
Dist. restrs. and SS energy: 1.781 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -314.035208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.035208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.536809 (E_RNA)
where:
Base-Base interactions energy: -211.218
where: short stacking energy: -79.984
Base-Backbone interact. energy: -0.236
local terms energy: -105.082680
where:
bonds (distance) C4'-P energy: -21.238
bonds (distance) P-C4' energy: -24.738
flat angles C4'-P-C4' energy: -25.163
flat angles P-C4'-P energy: -14.139
tors. eta vs tors. theta energy: -19.805
Dist. restrs. and SS energy: 2.502 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -342.644531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.644531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.898441 (E_RNA)
where:
Base-Base interactions energy: -234.073
where: short stacking energy: -96.675
Base-Backbone interact. energy: 0.227
local terms energy: -109.052691
where:
bonds (distance) C4'-P energy: -18.885
bonds (distance) P-C4' energy: -25.497
flat angles C4'-P-C4' energy: -22.732
flat angles P-C4'-P energy: -18.113
tors. eta vs tors. theta energy: -23.826
Dist. restrs. and SS energy: 0.254 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -340.958887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.958887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.377955 (E_RNA)
where:
Base-Base interactions energy: -229.142
where: short stacking energy: -89.063
Base-Backbone interact. energy: -0.521
local terms energy: -111.715365
where:
bonds (distance) C4'-P energy: -22.458
bonds (distance) P-C4' energy: -21.983
flat angles C4'-P-C4' energy: -26.547
flat angles P-C4'-P energy: -16.280
tors. eta vs tors. theta energy: -24.446
Dist. restrs. and SS energy: 0.419 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -277.696627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.696627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.175336 (E_RNA)
where:
Base-Base interactions energy: -192.935
where: short stacking energy: -75.315
Base-Backbone interact. energy: 0.856
local terms energy: -87.096114
where:
bonds (distance) C4'-P energy: -21.662
bonds (distance) P-C4' energy: -13.621
flat angles C4'-P-C4' energy: -18.013
flat angles P-C4'-P energy: -10.303
tors. eta vs tors. theta energy: -23.497
Dist. restrs. and SS energy: 1.479 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -419.229415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.229415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.254867 (E_RNA)
where:
Base-Base interactions energy: -284.274
where: short stacking energy: -115.346
Base-Backbone interact. energy: 0.243
local terms energy: -135.224008
where:
bonds (distance) C4'-P energy: -26.998
bonds (distance) P-C4' energy: -26.620
flat angles C4'-P-C4' energy: -28.920
flat angles P-C4'-P energy: -14.844
tors. eta vs tors. theta energy: -37.842
Dist. restrs. and SS energy: 0.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -418.900282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.900282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.395258 (E_RNA)
where:
Base-Base interactions energy: -286.717
where: short stacking energy: -116.758
Base-Backbone interact. energy: -0.585
local terms energy: -132.093637
where:
bonds (distance) C4'-P energy: -24.560
bonds (distance) P-C4' energy: -30.481
flat angles C4'-P-C4' energy: -26.910
flat angles P-C4'-P energy: -19.032
tors. eta vs tors. theta energy: -31.110
Dist. restrs. and SS energy: 0.495 (S_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: 12
Temperature: 1.000000
Total energy: -395.914116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.914116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.036527 (E_RNA)
where:
Base-Base interactions energy: -271.209
where: short stacking energy: -116.774
Base-Backbone interact. energy: 2.124
local terms energy: -126.952078
where:
bonds (distance) C4'-P energy: -23.206
bonds (distance) P-C4' energy: -30.148
flat angles C4'-P-C4' energy: -28.903
flat angles P-C4'-P energy: -15.351
tors. eta vs tors. theta energy: -29.345
Dist. restrs. and SS energy: 0.122 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -385.843879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.843879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.911066 (E_RNA)
where:
Base-Base interactions energy: -254.119
where: short stacking energy: -104.772
Base-Backbone interact. energy: -0.227
local terms energy: -131.564445
where:
bonds (distance) C4'-P energy: -26.518
bonds (distance) P-C4' energy: -24.462
flat angles C4'-P-C4' energy: -27.464
flat angles P-C4'-P energy: -19.633
tors. eta vs tors. theta energy: -33.487
Dist. restrs. and SS energy: 0.067 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -340.619478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.619478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.239385 (E_RNA)
where:
Base-Base interactions energy: -227.230
where: short stacking energy: -101.328
Base-Backbone interact. energy: -0.104
local terms energy: -114.904593
where:
bonds (distance) C4'-P energy: -21.817
bonds (distance) P-C4' energy: -22.818
flat angles C4'-P-C4' energy: -29.430
flat angles P-C4'-P energy: -18.132
tors. eta vs tors. theta energy: -22.708
Dist. restrs. and SS energy: 1.620 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -318.710722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.710722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.419736 (E_RNA)
where:
Base-Base interactions energy: -220.281
where: short stacking energy: -88.033
Base-Backbone interact. energy: -0.176
local terms energy: -100.962902
where:
bonds (distance) C4'-P energy: -17.334
bonds (distance) P-C4' energy: -27.046
flat angles C4'-P-C4' energy: -26.655
flat angles P-C4'-P energy: -7.023
tors. eta vs tors. theta energy: -22.904
Dist. restrs. and SS energy: 2.709 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -343.257603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.257603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.442649 (E_RNA)
where:
Base-Base interactions energy: -224.144
where: short stacking energy: -91.027
Base-Backbone interact. energy: -0.545
local terms energy: -118.753950
where:
bonds (distance) C4'-P energy: -28.729
bonds (distance) P-C4' energy: -22.292
flat angles C4'-P-C4' energy: -23.838
flat angles P-C4'-P energy: -18.052
tors. eta vs tors. theta energy: -25.843
Dist. restrs. and SS energy: 0.185 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -290.015999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.015999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.792709 (E_RNA)
where:
Base-Base interactions energy: -193.838
where: short stacking energy: -79.251
Base-Backbone interact. energy: -0.280
local terms energy: -100.674237
where:
bonds (distance) C4'-P energy: -27.631
bonds (distance) P-C4' energy: -23.534
flat angles C4'-P-C4' energy: -22.401
flat angles P-C4'-P energy: -11.076
tors. eta vs tors. theta energy: -16.032
Dist. restrs. and SS energy: 4.777 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -327.781065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.781065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.345695 (E_RNA)
where:
Base-Base interactions energy: -220.121
where: short stacking energy: -88.757
Base-Backbone interact. energy: -1.617
local terms energy: -106.607411
where:
bonds (distance) C4'-P energy: -22.242
bonds (distance) P-C4' energy: -22.368
flat angles C4'-P-C4' energy: -21.423
flat angles P-C4'-P energy: -14.317
tors. eta vs tors. theta energy: -26.256
Dist. restrs. and SS energy: 0.565 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -322.901775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.901775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.550768 (E_RNA)
where:
Base-Base interactions energy: -217.448
where: short stacking energy: -91.896
Base-Backbone interact. energy: -0.213
local terms energy: -105.890146
where:
bonds (distance) C4'-P energy: -21.968
bonds (distance) P-C4' energy: -21.730
flat angles C4'-P-C4' energy: -19.502
flat angles P-C4'-P energy: -17.500
tors. eta vs tors. theta energy: -25.190
Dist. restrs. and SS energy: 0.649 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -417.952133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.952133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.991628 (E_RNA)
where:
Base-Base interactions energy: -283.090
where: short stacking energy: -121.398
Base-Backbone interact. energy: -0.829
local terms energy: -134.072034
where:
bonds (distance) C4'-P energy: -25.383
bonds (distance) P-C4' energy: -28.092
flat angles C4'-P-C4' energy: -31.813
flat angles P-C4'-P energy: -16.647
tors. eta vs tors. theta energy: -32.137
Dist. restrs. and SS energy: 0.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -422.547873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.547873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.604516 (E_RNA)
where:
Base-Base interactions energy: -283.810
where: short stacking energy: -120.540
Base-Backbone interact. energy: -0.422
local terms energy: -138.372048
where:
bonds (distance) C4'-P energy: -26.978
bonds (distance) P-C4' energy: -30.529
flat angles C4'-P-C4' energy: -27.580
flat angles P-C4'-P energy: -17.131
tors. eta vs tors. theta energy: -36.155
Dist. restrs. and SS energy: 0.057 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -414.958259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.958259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.727080 (E_RNA)
where:
Base-Base interactions energy: -278.811
where: short stacking energy: -121.374
Base-Backbone interact. energy: -1.350
local terms energy: -135.566259
where:
bonds (distance) C4'-P energy: -27.017
bonds (distance) P-C4' energy: -21.922
flat angles C4'-P-C4' energy: -28.572
flat angles P-C4'-P energy: -23.167
tors. eta vs tors. theta energy: -34.888
Dist. restrs. and SS energy: 0.769 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -352.084835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.084835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.678256 (E_RNA)
where:
Base-Base interactions energy: -223.544
where: short stacking energy: -90.190
Base-Backbone interact. energy: -1.795
local terms energy: -130.339170
where:
bonds (distance) C4'-P energy: -20.550
bonds (distance) P-C4' energy: -32.495
flat angles C4'-P-C4' energy: -30.884
flat angles P-C4'-P energy: -17.608
tors. eta vs tors. theta energy: -28.802
Dist. restrs. and SS energy: 3.593 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -364.770925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.770925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.955417 (E_RNA)
where:
Base-Base interactions energy: -264.726
where: short stacking energy: -88.187
Base-Backbone interact. energy: 0.162
local terms energy: -100.391634
where:
bonds (distance) C4'-P energy: -15.964
bonds (distance) P-C4' energy: -17.922
flat angles C4'-P-C4' energy: -29.861
flat angles P-C4'-P energy: -11.916
tors. eta vs tors. theta energy: -24.729
Dist. restrs. and SS energy: 0.184 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -348.026972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.026972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.522530 (E_RNA)
where:
Base-Base interactions energy: -240.734
where: short stacking energy: -100.061
Base-Backbone interact. energy: -0.223
local terms energy: -107.565075
where:
bonds (distance) C4'-P energy: -18.745
bonds (distance) P-C4' energy: -23.810
flat angles C4'-P-C4' energy: -24.112
flat angles P-C4'-P energy: -14.454
tors. eta vs tors. theta energy: -26.444
Dist. restrs. and SS energy: 0.496 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -312.839448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.839448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.354282 (E_RNA)
where:
Base-Base interactions energy: -208.179
where: short stacking energy: -78.044
Base-Backbone interact. energy: -0.445
local terms energy: -104.730209
where:
bonds (distance) C4'-P energy: -29.072
bonds (distance) P-C4' energy: -28.077
flat angles C4'-P-C4' energy: -16.847
flat angles P-C4'-P energy: -10.579
tors. eta vs tors. theta energy: -20.155
Dist. restrs. and SS energy: 0.515 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -321.390900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.390900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.522637 (E_RNA)
where:
Base-Base interactions energy: -213.232
where: short stacking energy: -80.915
Base-Backbone interact. energy: -0.255
local terms energy: -108.036100
where:
bonds (distance) C4'-P energy: -23.683
bonds (distance) P-C4' energy: -27.280
flat angles C4'-P-C4' energy: -24.432
flat angles P-C4'-P energy: -12.678
tors. eta vs tors. theta energy: -19.964
Dist. restrs. and SS energy: 0.132 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -293.631464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.631464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.857097 (E_RNA)
where:
Base-Base interactions energy: -196.837
where: short stacking energy: -76.970
Base-Backbone interact. energy: -0.485
local terms energy: -99.535295
where:
bonds (distance) C4'-P energy: -22.089
bonds (distance) P-C4' energy: -27.080
flat angles C4'-P-C4' energy: -22.538
flat angles P-C4'-P energy: -13.546
tors. eta vs tors. theta energy: -14.282
Dist. restrs. and SS energy: 3.226 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -307.715538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.715538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.166416 (E_RNA)
where:
Base-Base interactions energy: -201.740
where: short stacking energy: -80.522
Base-Backbone interact. energy: 0.547
local terms energy: -106.974197
where:
bonds (distance) C4'-P energy: -22.002
bonds (distance) P-C4' energy: -27.703
flat angles C4'-P-C4' energy: -25.415
flat angles P-C4'-P energy: -15.775
tors. eta vs tors. theta energy: -16.080
Dist. restrs. and SS energy: 0.451 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -421.825004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.825004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.932372 (E_RNA)
where:
Base-Base interactions energy: -287.302
where: short stacking energy: -127.443
Base-Backbone interact. energy: -0.165
local terms energy: -134.464884
where:
bonds (distance) C4'-P energy: -25.803
bonds (distance) P-C4' energy: -27.761
flat angles C4'-P-C4' energy: -29.540
flat angles P-C4'-P energy: -15.683
tors. eta vs tors. theta energy: -35.678
Dist. restrs. and SS energy: 0.107 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -401.552299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.552299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.839748 (E_RNA)
where:
Base-Base interactions energy: -273.789
where: short stacking energy: -111.723
Base-Backbone interact. energy: -1.272
local terms energy: -126.778524
where:
bonds (distance) C4'-P energy: -24.805
bonds (distance) P-C4' energy: -25.275
flat angles C4'-P-C4' energy: -24.128
flat angles P-C4'-P energy: -18.977
tors. eta vs tors. theta energy: -33.594
Dist. restrs. and SS energy: 0.287 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -409.649571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.649571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.834894 (E_RNA)
where:
Base-Base interactions energy: -290.663
where: short stacking energy: -116.638
Base-Backbone interact. energy: -1.102
local terms energy: -118.070145
where:
bonds (distance) C4'-P energy: -20.669
bonds (distance) P-C4' energy: -20.687
flat angles C4'-P-C4' energy: -26.616
flat angles P-C4'-P energy: -16.397
tors. eta vs tors. theta energy: -33.700
Dist. restrs. and SS energy: 0.185 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -337.797922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.797922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.144083 (E_RNA)
where:
Base-Base interactions energy: -225.178
where: short stacking energy: -93.438
Base-Backbone interact. energy: -0.659
local terms energy: -113.306728
where:
bonds (distance) C4'-P energy: -19.741
bonds (distance) P-C4' energy: -22.201
flat angles C4'-P-C4' energy: -27.915
flat angles P-C4'-P energy: -18.059
tors. eta vs tors. theta energy: -25.390
Dist. restrs. and SS energy: 1.346 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -371.678385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.678385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.146486 (E_RNA)
where:
Base-Base interactions energy: -241.048
where: short stacking energy: -99.968
Base-Backbone interact. energy: -0.616
local terms energy: -130.482113
where:
bonds (distance) C4'-P energy: -25.960
bonds (distance) P-C4' energy: -26.282
flat angles C4'-P-C4' energy: -31.479
flat angles P-C4'-P energy: -19.782
tors. eta vs tors. theta energy: -26.979
Dist. restrs. and SS energy: 0.468 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -363.582311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.582311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.872349 (E_RNA)
where:
Base-Base interactions energy: -243.415
where: short stacking energy: -92.352
Base-Backbone interact. energy: -0.284
local terms energy: -120.174015
where:
bonds (distance) C4'-P energy: -19.580
bonds (distance) P-C4' energy: -28.157
flat angles C4'-P-C4' energy: -28.187
flat angles P-C4'-P energy: -14.368
tors. eta vs tors. theta energy: -29.882
Dist. restrs. and SS energy: 0.290 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -336.327020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.327020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.918573 (E_RNA)
where:
Base-Base interactions energy: -224.174
where: short stacking energy: -90.630
Base-Backbone interact. energy: -1.468
local terms energy: -111.276763
where:
bonds (distance) C4'-P energy: -22.234
bonds (distance) P-C4' energy: -18.086
flat angles C4'-P-C4' energy: -23.350
flat angles P-C4'-P energy: -22.716
tors. eta vs tors. theta energy: -24.889
Dist. restrs. and SS energy: 0.592 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -302.450035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.450035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.618124 (E_RNA)
where:
Base-Base interactions energy: -205.180
where: short stacking energy: -76.217
Base-Backbone interact. energy: -0.074
local terms energy: -98.364252
where:
bonds (distance) C4'-P energy: -21.745
bonds (distance) P-C4' energy: -24.592
flat angles C4'-P-C4' energy: -21.426
flat angles P-C4'-P energy: -12.874
tors. eta vs tors. theta energy: -17.727
Dist. restrs. and SS energy: 1.168 (S_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: 14
Temperature: 1.300000
Total energy: -327.351672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.351672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.634396 (E_RNA)
where:
Base-Base interactions energy: -221.441
where: short stacking energy: -84.913
Base-Backbone interact. energy: -0.221
local terms energy: -105.972501
where:
bonds (distance) C4'-P energy: -22.950
bonds (distance) P-C4' energy: -21.658
flat angles C4'-P-C4' energy: -26.732
flat angles P-C4'-P energy: -17.509
tors. eta vs tors. theta energy: -17.123
Dist. restrs. and SS energy: 0.283 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -268.305420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.305420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.829628 (E_RNA)
where:
Base-Base interactions energy: -184.224
where: short stacking energy: -64.972
Base-Backbone interact. energy: -0.239
local terms energy: -86.365779
where:
bonds (distance) C4'-P energy: -22.386
bonds (distance) P-C4' energy: -23.754
flat angles C4'-P-C4' energy: -17.038
flat angles P-C4'-P energy: -13.001
tors. eta vs tors. theta energy: -10.187
Dist. restrs. and SS energy: 2.524 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -417.069846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.069846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.203403 (E_RNA)
where:
Base-Base interactions energy: -280.286
where: short stacking energy: -123.060
Base-Backbone interact. energy: -1.564
local terms energy: -135.352969
where:
bonds (distance) C4'-P energy: -28.655
bonds (distance) P-C4' energy: -28.901
flat angles C4'-P-C4' energy: -27.411
flat angles P-C4'-P energy: -15.688
tors. eta vs tors. theta energy: -34.698
Dist. restrs. and SS energy: 0.134 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -406.495520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.495520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.546965 (E_RNA)
where:
Base-Base interactions energy: -278.887
where: short stacking energy: -103.811
Base-Backbone interact. energy: -2.005
local terms energy: -125.655377
where:
bonds (distance) C4'-P energy: -26.005
bonds (distance) P-C4' energy: -29.143
flat angles C4'-P-C4' energy: -27.316
flat angles P-C4'-P energy: -16.782
tors. eta vs tors. theta energy: -26.410
Dist. restrs. and SS energy: 0.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -391.704547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.704547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.998917 (E_RNA)
where:
Base-Base interactions energy: -270.085
where: short stacking energy: -106.993
Base-Backbone interact. energy: -0.369
local terms energy: -121.544402
where:
bonds (distance) C4'-P energy: -26.599
bonds (distance) P-C4' energy: -23.972
flat angles C4'-P-C4' energy: -22.529
flat angles P-C4'-P energy: -15.667
tors. eta vs tors. theta energy: -32.778
Dist. restrs. and SS energy: 0.294 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -379.198904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.198904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.705278 (E_RNA)
where:
Base-Base interactions energy: -252.728
where: short stacking energy: -101.969
Base-Backbone interact. energy: 0.735
local terms energy: -127.712310
where:
bonds (distance) C4'-P energy: -27.412
bonds (distance) P-C4' energy: -26.072
flat angles C4'-P-C4' energy: -25.437
flat angles P-C4'-P energy: -18.802
tors. eta vs tors. theta energy: -29.989
Dist. restrs. and SS energy: 0.506 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -337.743542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.743542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.206990 (E_RNA)
where:
Base-Base interactions energy: -226.815
where: short stacking energy: -88.329
Base-Backbone interact. energy: -0.694
local terms energy: -111.697841
where:
bonds (distance) C4'-P energy: -19.060
bonds (distance) P-C4' energy: -26.556
flat angles C4'-P-C4' energy: -27.425
flat angles P-C4'-P energy: -15.441
tors. eta vs tors. theta energy: -23.215
Dist. restrs. and SS energy: 1.463 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -365.285767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.285767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.633014 (E_RNA)
where:
Base-Base interactions energy: -238.534
where: short stacking energy: -96.909
Base-Backbone interact. energy: -0.329
local terms energy: -126.770238
where:
bonds (distance) C4'-P energy: -26.338
bonds (distance) P-C4' energy: -25.658
flat angles C4'-P-C4' energy: -26.464
flat angles P-C4'-P energy: -19.741
tors. eta vs tors. theta energy: -28.569
Dist. restrs. and SS energy: 0.347 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -345.022992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.022992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.312356 (E_RNA)
where:
Base-Base interactions energy: -224.831
where: short stacking energy: -90.920
Base-Backbone interact. energy: -0.118
local terms energy: -120.363793
where:
bonds (distance) C4'-P energy: -25.476
bonds (distance) P-C4' energy: -23.745
flat angles C4'-P-C4' energy: -26.802
flat angles P-C4'-P energy: -18.932
tors. eta vs tors. theta energy: -25.408
Dist. restrs. and SS energy: 0.289 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -331.644790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.644790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.972962 (E_RNA)
where:
Base-Base interactions energy: -226.144
where: short stacking energy: -86.391
Base-Backbone interact. energy: -0.057
local terms energy: -105.772036
where:
bonds (distance) C4'-P energy: -25.360
bonds (distance) P-C4' energy: -19.988
flat angles C4'-P-C4' energy: -27.395
flat angles P-C4'-P energy: -13.282
tors. eta vs tors. theta energy: -19.747
Dist. restrs. and SS energy: 0.328 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -318.811211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.811211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.176466 (E_RNA)
where:
Base-Base interactions energy: -219.713
where: short stacking energy: -94.016
Base-Backbone interact. energy: -0.153
local terms energy: -100.310679
where:
bonds (distance) C4'-P energy: -21.888
bonds (distance) P-C4' energy: -20.626
flat angles C4'-P-C4' energy: -18.191
flat angles P-C4'-P energy: -19.428
tors. eta vs tors. theta energy: -20.178
Dist. restrs. and SS energy: 1.365 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -272.247479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.247479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.233189 (E_RNA)
where:
Base-Base interactions energy: -184.114
where: short stacking energy: -71.519
Base-Backbone interact. energy: -0.273
local terms energy: -89.845357
where:
bonds (distance) C4'-P energy: -20.566
bonds (distance) P-C4' energy: -23.049
flat angles C4'-P-C4' energy: -20.645
flat angles P-C4'-P energy: -8.797
tors. eta vs tors. theta energy: -16.789
Dist. restrs. and SS energy: 1.986 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -417.361636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.361636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.527563 (E_RNA)
where:
Base-Base interactions energy: -278.778
where: short stacking energy: -125.872
Base-Backbone interact. energy: -0.183
local terms energy: -138.566382
where:
bonds (distance) C4'-P energy: -26.117
bonds (distance) P-C4' energy: -26.748
flat angles C4'-P-C4' energy: -32.427
flat angles P-C4'-P energy: -20.255
tors. eta vs tors. theta energy: -33.019
Dist. restrs. and SS energy: 0.166 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -409.428159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.428159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.615898 (E_RNA)
where:
Base-Base interactions energy: -279.179
where: short stacking energy: -110.543
Base-Backbone interact. energy: -0.878
local terms energy: -129.558815
where:
bonds (distance) C4'-P energy: -28.092
bonds (distance) P-C4' energy: -23.091
flat angles C4'-P-C4' energy: -30.222
flat angles P-C4'-P energy: -17.324
tors. eta vs tors. theta energy: -30.830
Dist. restrs. and SS energy: 0.188 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -379.764944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.764944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.996967 (E_RNA)
where:
Base-Base interactions energy: -257.596
where: short stacking energy: -110.663
Base-Backbone interact. energy: -0.281
local terms energy: -122.120251
where:
bonds (distance) C4'-P energy: -23.006
bonds (distance) P-C4' energy: -28.010
flat angles C4'-P-C4' energy: -23.581
flat angles P-C4'-P energy: -22.770
tors. eta vs tors. theta energy: -24.754
Dist. restrs. and SS energy: 0.232 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -372.742706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.742706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.123555 (E_RNA)
where:
Base-Base interactions energy: -247.259
where: short stacking energy: -100.341
Base-Backbone interact. energy: -0.343
local terms energy: -125.521020
where:
bonds (distance) C4'-P energy: -22.259
bonds (distance) P-C4' energy: -30.845
flat angles C4'-P-C4' energy: -26.727
flat angles P-C4'-P energy: -20.968
tors. eta vs tors. theta energy: -24.722
Dist. restrs. and SS energy: 0.381 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -381.787013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.787013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.066447 (E_RNA)
where:
Base-Base interactions energy: -261.558
where: short stacking energy: -117.169
Base-Backbone interact. energy: -0.796
local terms energy: -119.712448
where:
bonds (distance) C4'-P energy: -23.226
bonds (distance) P-C4' energy: -18.081
flat angles C4'-P-C4' energy: -31.167
flat angles P-C4'-P energy: -15.050
tors. eta vs tors. theta energy: -32.188
Dist. restrs. and SS energy: 0.279 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -314.304748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.304748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.110813 (E_RNA)
where:
Base-Base interactions energy: -217.341
where: short stacking energy: -85.623
Base-Backbone interact. energy: 0.013
local terms energy: -99.782119
where:
bonds (distance) C4'-P energy: -26.054
bonds (distance) P-C4' energy: -21.989
flat angles C4'-P-C4' energy: -22.077
flat angles P-C4'-P energy: -11.975
tors. eta vs tors. theta energy: -17.688
Dist. restrs. and SS energy: 2.806 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -363.775822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.775822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.009902 (E_RNA)
where:
Base-Base interactions energy: -251.715
where: short stacking energy: -103.887
Base-Backbone interact. energy: -0.021
local terms energy: -112.274602
where:
bonds (distance) C4'-P energy: -24.107
bonds (distance) P-C4' energy: -26.953
flat angles C4'-P-C4' energy: -21.559
flat angles P-C4'-P energy: -9.394
tors. eta vs tors. theta energy: -30.261
Dist. restrs. and SS energy: 0.234 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -332.423896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.423896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.514296 (E_RNA)
where:
Base-Base interactions energy: -223.516
where: short stacking energy: -88.071
Base-Backbone interact. energy: -0.246
local terms energy: -108.753039
where:
bonds (distance) C4'-P energy: -30.045
bonds (distance) P-C4' energy: -27.330
flat angles C4'-P-C4' energy: -21.972
flat angles P-C4'-P energy: -13.521
tors. eta vs tors. theta energy: -15.885
Dist. restrs. and SS energy: 0.090 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -328.745229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.745229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.157824 (E_RNA)
where:
Base-Base interactions energy: -211.600
where: short stacking energy: -85.484
Base-Backbone interact. energy: -0.405
local terms energy: -117.152406
where:
bonds (distance) C4'-P energy: -25.003
bonds (distance) P-C4' energy: -30.268
flat angles C4'-P-C4' energy: -24.018
flat angles P-C4'-P energy: -12.614
tors. eta vs tors. theta energy: -25.250
Dist. restrs. and SS energy: 0.413 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -270.469338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.469338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.958735 (E_RNA)
where:
Base-Base interactions energy: -181.290
where: short stacking energy: -79.250
Base-Backbone interact. energy: -0.264
local terms energy: -91.404744
where:
bonds (distance) C4'-P energy: -15.105
bonds (distance) P-C4' energy: -18.731
flat angles C4'-P-C4' energy: -22.590
flat angles P-C4'-P energy: -12.011
tors. eta vs tors. theta energy: -22.967
Dist. restrs. and SS energy: 2.489 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -426.800479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.800479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.212945 (E_RNA)
where:
Base-Base interactions energy: -289.857
where: short stacking energy: -125.625
Base-Backbone interact. energy: 0.855
local terms energy: -138.211486
where:
bonds (distance) C4'-P energy: -27.434
bonds (distance) P-C4' energy: -24.370
flat angles C4'-P-C4' energy: -30.654
flat angles P-C4'-P energy: -19.560
tors. eta vs tors. theta energy: -36.194
Dist. restrs. and SS energy: 0.412 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -412.967512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.967512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.332186 (E_RNA)
where:
Base-Base interactions energy: -291.067
where: short stacking energy: -115.160
Base-Backbone interact. energy: -1.107
local terms energy: -121.157835
where:
bonds (distance) C4'-P energy: -24.804
bonds (distance) P-C4' energy: -28.135
flat angles C4'-P-C4' energy: -25.607
flat angles P-C4'-P energy: -9.482
tors. eta vs tors. theta energy: -33.129
Dist. restrs. and SS energy: 0.365 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -379.294833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.294833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.377285 (E_RNA)
where:
Base-Base interactions energy: -256.305
where: short stacking energy: -101.611
Base-Backbone interact. energy: -0.477
local terms energy: -122.594809
where:
bonds (distance) C4'-P energy: -25.042
bonds (distance) P-C4' energy: -22.977
flat angles C4'-P-C4' energy: -29.361
flat angles P-C4'-P energy: -20.394
tors. eta vs tors. theta energy: -24.821
Dist. restrs. and SS energy: 0.082 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -390.705606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.705606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.779845 (E_RNA)
where:
Base-Base interactions energy: -256.984
where: short stacking energy: -106.711
Base-Backbone interact. energy: -1.274
local terms energy: -132.521123
where:
bonds (distance) C4'-P energy: -27.129
bonds (distance) P-C4' energy: -28.324
flat angles C4'-P-C4' energy: -26.640
flat angles P-C4'-P energy: -19.847
tors. eta vs tors. theta energy: -30.580
Dist. restrs. and SS energy: 0.074 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -367.493869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.493869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.620568 (E_RNA)
where:
Base-Base interactions energy: -244.211
where: short stacking energy: -96.818
Base-Backbone interact. energy: 1.622
local terms energy: -125.031310
where:
bonds (distance) C4'-P energy: -25.083
bonds (distance) P-C4' energy: -29.242
flat angles C4'-P-C4' energy: -26.366
flat angles P-C4'-P energy: -19.543
tors. eta vs tors. theta energy: -24.797
Dist. restrs. and SS energy: 0.127 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -360.011812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.011812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.138155 (E_RNA)
where:
Base-Base interactions energy: -233.125
where: short stacking energy: -98.952
Base-Backbone interact. energy: -0.587
local terms energy: -126.426719
where:
bonds (distance) C4'-P energy: -31.723
bonds (distance) P-C4' energy: -26.909
flat angles C4'-P-C4' energy: -23.766
flat angles P-C4'-P energy: -17.245
tors. eta vs tors. theta energy: -26.783
Dist. restrs. and SS energy: 0.126 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -303.822746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.822746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.277205 (E_RNA)
where:
Base-Base interactions energy: -211.265
where: short stacking energy: -81.432
Base-Backbone interact. energy: 3.302
local terms energy: -102.314457
where:
bonds (distance) C4'-P energy: -15.457
bonds (distance) P-C4' energy: -22.828
flat angles C4'-P-C4' energy: -27.088
flat angles P-C4'-P energy: -18.269
tors. eta vs tors. theta energy: -18.672
Dist. restrs. and SS energy: 6.454 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -346.877844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.877844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.051049 (E_RNA)
where:
Base-Base interactions energy: -239.739
where: short stacking energy: -85.945
Base-Backbone interact. energy: -0.233
local terms energy: -107.079113
where:
bonds (distance) C4'-P energy: -23.649
bonds (distance) P-C4' energy: -26.030
flat angles C4'-P-C4' energy: -26.200
flat angles P-C4'-P energy: -10.259
tors. eta vs tors. theta energy: -20.941
Dist. restrs. and SS energy: 0.173 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -326.006867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.006867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.345731 (E_RNA)
where:
Base-Base interactions energy: -210.304
where: short stacking energy: -81.025
Base-Backbone interact. energy: -0.417
local terms energy: -115.624300
where:
bonds (distance) C4'-P energy: -24.437
bonds (distance) P-C4' energy: -28.004
flat angles C4'-P-C4' energy: -24.676
flat angles P-C4'-P energy: -18.491
tors. eta vs tors. theta energy: -20.016
Dist. restrs. and SS energy: 0.339 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -275.100468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.100468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.137011 (E_RNA)
where:
Base-Base interactions energy: -190.023
where: short stacking energy: -73.783
Base-Backbone interact. energy: -2.144
local terms energy: -86.969856
where:
bonds (distance) C4'-P energy: -13.447
bonds (distance) P-C4' energy: -22.677
flat angles C4'-P-C4' energy: -25.805
flat angles P-C4'-P energy: -9.536
tors. eta vs tors. theta energy: -15.504
Dist. restrs. and SS energy: 4.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -418.301305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.301305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.336036 (E_RNA)
where:
Base-Base interactions energy: -285.657
where: short stacking energy: -113.362
Base-Backbone interact. energy: -0.323
local terms energy: -132.356400
where:
bonds (distance) C4'-P energy: -29.638
bonds (distance) P-C4' energy: -24.294
flat angles C4'-P-C4' energy: -30.625
flat angles P-C4'-P energy: -18.392
tors. eta vs tors. theta energy: -29.408
Dist. restrs. and SS energy: 0.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -409.804415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.804415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.916666 (E_RNA)
where:
Base-Base interactions energy: -277.156
where: short stacking energy: -122.486
Base-Backbone interact. energy: 0.451
local terms energy: -133.211787
where:
bonds (distance) C4'-P energy: -25.766
bonds (distance) P-C4' energy: -26.265
flat angles C4'-P-C4' energy: -32.716
flat angles P-C4'-P energy: -12.729
tors. eta vs tors. theta energy: -35.736
Dist. restrs. and SS energy: 0.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -394.278799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.278799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.521590 (E_RNA)
where:
Base-Base interactions energy: -258.372
where: short stacking energy: -107.044
Base-Backbone interact. energy: -0.608
local terms energy: -135.541562
where:
bonds (distance) C4'-P energy: -31.063
bonds (distance) P-C4' energy: -27.641
flat angles C4'-P-C4' energy: -28.135
flat angles P-C4'-P energy: -17.686
tors. eta vs tors. theta energy: -31.017
Dist. restrs. and SS energy: 0.243 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -366.989261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.989261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.104463 (E_RNA)
where:
Base-Base interactions energy: -248.653
where: short stacking energy: -97.165
Base-Backbone interact. energy: -0.874
local terms energy: -117.577872
where:
bonds (distance) C4'-P energy: -26.630
bonds (distance) P-C4' energy: -24.971
flat angles C4'-P-C4' energy: -23.101
flat angles P-C4'-P energy: -21.625
tors. eta vs tors. theta energy: -21.251
Dist. restrs. and SS energy: 0.115 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -360.905713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.905713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.355375 (E_RNA)
where:
Base-Base interactions energy: -245.916
where: short stacking energy: -104.670
Base-Backbone interact. energy: -0.544
local terms energy: -114.894996
where:
bonds (distance) C4'-P energy: -22.163
bonds (distance) P-C4' energy: -27.846
flat angles C4'-P-C4' energy: -21.591
flat angles P-C4'-P energy: -16.093
tors. eta vs tors. theta energy: -27.202
Dist. restrs. and SS energy: 0.450 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -364.760893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.760893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.806335 (E_RNA)
where:
Base-Base interactions energy: -246.565
where: short stacking energy: -96.702
Base-Backbone interact. energy: -0.582
local terms energy: -117.659613
where:
bonds (distance) C4'-P energy: -20.146
bonds (distance) P-C4' energy: -22.503
flat angles C4'-P-C4' energy: -29.947
flat angles P-C4'-P energy: -15.156
tors. eta vs tors. theta energy: -29.907
Dist. restrs. and SS energy: 0.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -345.401323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.401323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.667014 (E_RNA)
where:
Base-Base interactions energy: -240.246
where: short stacking energy: -97.675
Base-Backbone interact. energy: -0.383
local terms energy: -105.037608
where:
bonds (distance) C4'-P energy: -24.507
bonds (distance) P-C4' energy: -24.561
flat angles C4'-P-C4' energy: -25.610
flat angles P-C4'-P energy: -7.669
tors. eta vs tors. theta energy: -22.690
Dist. restrs. and SS energy: 0.266 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -285.052478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.052478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.606125 (E_RNA)
where:
Base-Base interactions energy: -188.550
where: short stacking energy: -62.235
Base-Backbone interact. energy: -0.005
local terms energy: -98.051130
where:
bonds (distance) C4'-P energy: -25.703
bonds (distance) P-C4' energy: -23.462
flat angles C4'-P-C4' energy: -19.252
flat angles P-C4'-P energy: -12.330
tors. eta vs tors. theta energy: -17.303
Dist. restrs. and SS energy: 1.554 (S_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: 18
Temperature: 1.300000
Total energy: -302.148463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.148463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.535905 (E_RNA)
where:
Base-Base interactions energy: -206.187
where: short stacking energy: -89.963
Base-Backbone interact. energy: -0.218
local terms energy: -97.131201
where:
bonds (distance) C4'-P energy: -17.960
bonds (distance) P-C4' energy: -21.172
flat angles C4'-P-C4' energy: -22.964
flat angles P-C4'-P energy: -14.591
tors. eta vs tors. theta energy: -20.445
Dist. restrs. and SS energy: 1.387 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -323.010230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.010230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.053050 (E_RNA)
where:
Base-Base interactions energy: -214.673
where: short stacking energy: -82.078
Base-Backbone interact. energy: 0.989
local terms energy: -109.368756
where:
bonds (distance) C4'-P energy: -17.443
bonds (distance) P-C4' energy: -22.361
flat angles C4'-P-C4' energy: -27.135
flat angles P-C4'-P energy: -17.396
tors. eta vs tors. theta energy: -25.034
Dist. restrs. and SS energy: 0.043 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -428.797420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.797420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.090690 (E_RNA)
where:
Base-Base interactions energy: -290.100
where: short stacking energy: -114.068
Base-Backbone interact. energy: -0.152
local terms energy: -138.838155
where:
bonds (distance) C4'-P energy: -21.711
bonds (distance) P-C4' energy: -32.795
flat angles C4'-P-C4' energy: -29.662
flat angles P-C4'-P energy: -23.095
tors. eta vs tors. theta energy: -31.574
Dist. restrs. and SS energy: 0.293 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -411.059386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.059386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.110995 (E_RNA)
where:
Base-Base interactions energy: -283.499
where: short stacking energy: -122.850
Base-Backbone interact. energy: -0.985
local terms energy: -126.626641
where:
bonds (distance) C4'-P energy: -29.827
bonds (distance) P-C4' energy: -23.158
flat angles C4'-P-C4' energy: -24.046
flat angles P-C4'-P energy: -14.440
tors. eta vs tors. theta energy: -35.155
Dist. restrs. and SS energy: 0.052 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -399.245186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.245186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.476034 (E_RNA)
where:
Base-Base interactions energy: -262.117
where: short stacking energy: -103.938
Base-Backbone interact. energy: -0.737
local terms energy: -136.621516
where:
bonds (distance) C4'-P energy: -28.603
bonds (distance) P-C4' energy: -24.792
flat angles C4'-P-C4' energy: -29.802
flat angles P-C4'-P energy: -18.713
tors. eta vs tors. theta energy: -34.711
Dist. restrs. and SS energy: 0.231 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -373.007377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.007377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.188928 (E_RNA)
where:
Base-Base interactions energy: -256.196
where: short stacking energy: -98.330
Base-Backbone interact. energy: -0.484
local terms energy: -116.509024
where:
bonds (distance) C4'-P energy: -26.670
bonds (distance) P-C4' energy: -29.201
flat angles C4'-P-C4' energy: -20.708
flat angles P-C4'-P energy: -14.932
tors. eta vs tors. theta energy: -24.998
Dist. restrs. and SS energy: 0.182 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -362.288258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.288258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.625578 (E_RNA)
where:
Base-Base interactions energy: -233.208
where: short stacking energy: -91.894
Base-Backbone interact. energy: -0.338
local terms energy: -129.079621
where:
bonds (distance) C4'-P energy: -29.509
bonds (distance) P-C4' energy: -26.815
flat angles C4'-P-C4' energy: -26.993
flat angles P-C4'-P energy: -19.081
tors. eta vs tors. theta energy: -26.683
Dist. restrs. and SS energy: 0.337 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -374.936831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.936831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.359947 (E_RNA)
where:
Base-Base interactions energy: -263.760
where: short stacking energy: -109.082
Base-Backbone interact. energy: -0.510
local terms energy: -111.090022
where:
bonds (distance) C4'-P energy: -25.300
bonds (distance) P-C4' energy: -21.851
flat angles C4'-P-C4' energy: -23.818
flat angles P-C4'-P energy: -9.661
tors. eta vs tors. theta energy: -30.459
Dist. restrs. and SS energy: 0.423 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -346.356674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.356674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.971297 (E_RNA)
where:
Base-Base interactions energy: -237.299
where: short stacking energy: -90.962
Base-Backbone interact. energy: 3.058
local terms energy: -112.730934
where:
bonds (distance) C4'-P energy: -24.025
bonds (distance) P-C4' energy: -26.063
flat angles C4'-P-C4' energy: -29.104
flat angles P-C4'-P energy: -13.815
tors. eta vs tors. theta energy: -19.724
Dist. restrs. and SS energy: 0.615 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -311.810676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.810676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.747620 (E_RNA)
where:
Base-Base interactions energy: -210.229
where: short stacking energy: -81.199
Base-Backbone interact. energy: -1.368
local terms energy: -106.150042
where:
bonds (distance) C4'-P energy: -23.342
bonds (distance) P-C4' energy: -25.137
flat angles C4'-P-C4' energy: -19.504
flat angles P-C4'-P energy: -16.947
tors. eta vs tors. theta energy: -21.220
Dist. restrs. and SS energy: 5.937 (S_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: 19
Temperature: 1.300000
Total energy: -323.987695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.987695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.445632 (E_RNA)
where:
Base-Base interactions energy: -226.138
where: short stacking energy: -85.597
Base-Backbone interact. energy: 1.367
local terms energy: -99.675323
where:
bonds (distance) C4'-P energy: -18.014
bonds (distance) P-C4' energy: -24.386
flat angles C4'-P-C4' energy: -24.464
flat angles P-C4'-P energy: -10.546
tors. eta vs tors. theta energy: -22.265
Dist. restrs. and SS energy: 0.458 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -320.775573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.775573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.220056 (E_RNA)
where:
Base-Base interactions energy: -220.263
where: short stacking energy: -82.053
Base-Backbone interact. energy: -0.493
local terms energy: -100.464045
where:
bonds (distance) C4'-P energy: -23.100
bonds (distance) P-C4' energy: -25.235
flat angles C4'-P-C4' energy: -19.369
flat angles P-C4'-P energy: -10.539
tors. eta vs tors. theta energy: -22.221
Dist. restrs. and SS energy: 0.444 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -430.813406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.813406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.910622 (E_RNA)
where:
Base-Base interactions energy: -305.376
where: short stacking energy: -120.472
Base-Backbone interact. energy: 0.177
local terms energy: -125.712156
where:
bonds (distance) C4'-P energy: -23.953
bonds (distance) P-C4' energy: -25.784
flat angles C4'-P-C4' energy: -31.153
flat angles P-C4'-P energy: -13.964
tors. eta vs tors. theta energy: -30.859
Dist. restrs. and SS energy: 0.097 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -403.730865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.730865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.843275 (E_RNA)
where:
Base-Base interactions energy: -269.879
where: short stacking energy: -107.984
Base-Backbone interact. energy: -0.415
local terms energy: -133.549386
where:
bonds (distance) C4'-P energy: -25.510
bonds (distance) P-C4' energy: -28.574
flat angles C4'-P-C4' energy: -28.307
flat angles P-C4'-P energy: -18.403
tors. eta vs tors. theta energy: -32.756
Dist. restrs. and SS energy: 0.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -411.779317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.779317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.927509 (E_RNA)
where:
Base-Base interactions energy: -283.676
where: short stacking energy: -114.573
Base-Backbone interact. energy: 0.453
local terms energy: -128.704839
where:
bonds (distance) C4'-P energy: -25.654
bonds (distance) P-C4' energy: -26.102
flat angles C4'-P-C4' energy: -26.529
flat angles P-C4'-P energy: -24.526
tors. eta vs tors. theta energy: -25.893
Dist. restrs. and SS energy: 0.148 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -387.425552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.425552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.503189 (E_RNA)
where:
Base-Base interactions energy: -258.112
where: short stacking energy: -100.450
Base-Backbone interact. energy: -0.453
local terms energy: -128.937531
where:
bonds (distance) C4'-P energy: -27.302
bonds (distance) P-C4' energy: -24.092
flat angles C4'-P-C4' energy: -29.239
flat angles P-C4'-P energy: -17.758
tors. eta vs tors. theta energy: -30.547
Dist. restrs. and SS energy: 0.078 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -383.148027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.148027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.269103 (E_RNA)
where:
Base-Base interactions energy: -264.664
where: short stacking energy: -104.040
Base-Backbone interact. energy: -1.202
local terms energy: -117.403304
where:
bonds (distance) C4'-P energy: -23.517
bonds (distance) P-C4' energy: -24.821
flat angles C4'-P-C4' energy: -28.208
flat angles P-C4'-P energy: -16.347
tors. eta vs tors. theta energy: -24.509
Dist. restrs. and SS energy: 0.121 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -350.815869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.815869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.911919 (E_RNA)
where:
Base-Base interactions energy: -240.478
where: short stacking energy: -89.036
Base-Backbone interact. energy: -0.745
local terms energy: -109.688684
where:
bonds (distance) C4'-P energy: -24.694
bonds (distance) P-C4' energy: -25.128
flat angles C4'-P-C4' energy: -25.360
flat angles P-C4'-P energy: -14.110
tors. eta vs tors. theta energy: -20.397
Dist. restrs. and SS energy: 0.096 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -344.969599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.969599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.065366 (E_RNA)
where:
Base-Base interactions energy: -248.658
where: short stacking energy: -77.646
Base-Backbone interact. energy: -0.624
local terms energy: -95.783320
where:
bonds (distance) C4'-P energy: -20.241
bonds (distance) P-C4' energy: -19.349
flat angles C4'-P-C4' energy: -23.894
flat angles P-C4'-P energy: -14.024
tors. eta vs tors. theta energy: -18.276
Dist. restrs. and SS energy: 0.096 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -320.937931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.937931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.828179 (E_RNA)
where:
Base-Base interactions energy: -214.598
where: short stacking energy: -91.070
Base-Backbone interact. energy: 1.671
local terms energy: -110.900689
where:
bonds (distance) C4'-P energy: -25.880
bonds (distance) P-C4' energy: -14.554
flat angles C4'-P-C4' energy: -27.356
flat angles P-C4'-P energy: -18.406
tors. eta vs tors. theta energy: -24.705
Dist. restrs. and SS energy: 2.890 (S_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: 20
Temperature: 1.300000
Total energy: -325.902445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.902445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.358346 (E_RNA)
where:
Base-Base interactions energy: -216.370
where: short stacking energy: -90.249
Base-Backbone interact. energy: 1.159
local terms energy: -111.147084
where:
bonds (distance) C4'-P energy: -23.974
bonds (distance) P-C4' energy: -19.657
flat angles C4'-P-C4' energy: -25.570
flat angles P-C4'-P energy: -13.342
tors. eta vs tors. theta energy: -28.604
Dist. restrs. and SS energy: 0.456 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -314.859295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.859295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.078888 (E_RNA)
where:
Base-Base interactions energy: -212.687
where: short stacking energy: -76.646
Base-Backbone interact. energy: -0.802
local terms energy: -101.590013
where:
bonds (distance) C4'-P energy: -22.722
bonds (distance) P-C4' energy: -22.325
flat angles C4'-P-C4' energy: -26.410
flat angles P-C4'-P energy: -14.093
tors. eta vs tors. theta energy: -16.040
Dist. restrs. and SS energy: 0.220 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -428.552767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.552767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.618204 (E_RNA)
where:
Base-Base interactions energy: -298.272
where: short stacking energy: -116.180
Base-Backbone interact. energy: -0.788
local terms energy: -129.558186
where:
bonds (distance) C4'-P energy: -24.669
bonds (distance) P-C4' energy: -27.681
flat angles C4'-P-C4' energy: -28.469
flat angles P-C4'-P energy: -17.093
tors. eta vs tors. theta energy: -31.647
Dist. restrs. and SS energy: 0.065 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -400.964344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.964344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.213314 (E_RNA)
where:
Base-Base interactions energy: -268.345
where: short stacking energy: -97.147
Base-Backbone interact. energy: -0.733
local terms energy: -132.135291
where:
bonds (distance) C4'-P energy: -28.126
bonds (distance) P-C4' energy: -27.670
flat angles C4'-P-C4' energy: -31.599
flat angles P-C4'-P energy: -20.044
tors. eta vs tors. theta energy: -24.696
Dist. restrs. and SS energy: 0.249 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -388.104498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.104498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.205696 (E_RNA)
where:
Base-Base interactions energy: -258.412
where: short stacking energy: -107.091
Base-Backbone interact. energy: -0.605
local terms energy: -129.188572
where:
bonds (distance) C4'-P energy: -27.616
bonds (distance) P-C4' energy: -24.419
flat angles C4'-P-C4' energy: -32.046
flat angles P-C4'-P energy: -15.115
tors. eta vs tors. theta energy: -29.992
Dist. restrs. and SS energy: 0.101 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -384.416104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.416104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.745387 (E_RNA)
where:
Base-Base interactions energy: -257.026
where: short stacking energy: -109.940
Base-Backbone interact. energy: -0.734
local terms energy: -126.984871
where:
bonds (distance) C4'-P energy: -27.160
bonds (distance) P-C4' energy: -21.461
flat angles C4'-P-C4' energy: -28.486
flat angles P-C4'-P energy: -18.833
tors. eta vs tors. theta energy: -31.045
Dist. restrs. and SS energy: 0.329 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -382.896812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.896812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.228926 (E_RNA)
where:
Base-Base interactions energy: -244.949
where: short stacking energy: -98.937
Base-Backbone interact. energy: -0.193
local terms energy: -138.086263
where:
bonds (distance) C4'-P energy: -26.466
bonds (distance) P-C4' energy: -29.129
flat angles C4'-P-C4' energy: -29.010
flat angles P-C4'-P energy: -22.294
tors. eta vs tors. theta energy: -31.187
Dist. restrs. and SS energy: 0.332 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -347.011534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.011534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.227277 (E_RNA)
where:
Base-Base interactions energy: -225.400
where: short stacking energy: -86.772
Base-Backbone interact. energy: -1.375
local terms energy: -120.452286
where:
bonds (distance) C4'-P energy: -22.758
bonds (distance) P-C4' energy: -28.576
flat angles C4'-P-C4' energy: -31.043
flat angles P-C4'-P energy: -18.565
tors. eta vs tors. theta energy: -19.510
Dist. restrs. and SS energy: 0.216 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -350.601455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.601455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.703653 (E_RNA)
where:
Base-Base interactions energy: -240.842
where: short stacking energy: -79.274
Base-Backbone interact. energy: -0.285
local terms energy: -109.575809
where:
bonds (distance) C4'-P energy: -27.136
bonds (distance) P-C4' energy: -23.014
flat angles C4'-P-C4' energy: -21.685
flat angles P-C4'-P energy: -20.444
tors. eta vs tors. theta energy: -17.297
Dist. restrs. and SS energy: 0.102 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -341.526456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.526456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.711092 (E_RNA)
where:
Base-Base interactions energy: -231.903
where: short stacking energy: -86.154
Base-Backbone interact. energy: 0.648
local terms energy: -110.455461
where:
bonds (distance) C4'-P energy: -21.143
bonds (distance) P-C4' energy: -24.281
flat angles C4'-P-C4' energy: -26.803
flat angles P-C4'-P energy: -13.847
tors. eta vs tors. theta energy: -24.381
Dist. restrs. and SS energy: 0.185 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -321.468004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.468004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.834714 (E_RNA)
where:
Base-Base interactions energy: -221.184
where: short stacking energy: -87.453
Base-Backbone interact. energy: -0.178
local terms energy: -100.472245
where:
bonds (distance) C4'-P energy: -17.278
bonds (distance) P-C4' energy: -23.518
flat angles C4'-P-C4' energy: -23.661
flat angles P-C4'-P energy: -15.101
tors. eta vs tors. theta energy: -20.913
Dist. restrs. and SS energy: 0.367 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -312.037651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.037651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.624152 (E_RNA)
where:
Base-Base interactions energy: -207.438
where: short stacking energy: -84.189
Base-Backbone interact. energy: -0.124
local terms energy: -105.062166
where:
bonds (distance) C4'-P energy: -27.343
bonds (distance) P-C4' energy: -20.236
flat angles C4'-P-C4' energy: -23.532
flat angles P-C4'-P energy: -12.164
tors. eta vs tors. theta energy: -21.787
Dist. restrs. and SS energy: 0.587 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -431.202221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.202221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.365330 (E_RNA)
where:
Base-Base interactions energy: -296.140
where: short stacking energy: -118.467
Base-Backbone interact. energy: 0.162
local terms energy: -135.387725
where:
bonds (distance) C4'-P energy: -24.397
bonds (distance) P-C4' energy: -30.143
flat angles C4'-P-C4' energy: -30.562
flat angles P-C4'-P energy: -16.731
tors. eta vs tors. theta energy: -33.554
Dist. restrs. and SS energy: 0.163 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -408.072490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.072490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.123015 (E_RNA)
where:
Base-Base interactions energy: -274.860
where: short stacking energy: -109.114
Base-Backbone interact. energy: 0.566
local terms energy: -133.829725
where:
bonds (distance) C4'-P energy: -27.063
bonds (distance) P-C4' energy: -27.676
flat angles C4'-P-C4' energy: -27.910
flat angles P-C4'-P energy: -17.602
tors. eta vs tors. theta energy: -33.579
Dist. restrs. and SS energy: 0.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -403.638760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.638760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.738804 (E_RNA)
where:
Base-Base interactions energy: -272.139
where: short stacking energy: -122.358
Base-Backbone interact. energy: -0.224
local terms energy: -131.376291
where:
bonds (distance) C4'-P energy: -28.522
bonds (distance) P-C4' energy: -24.048
flat angles C4'-P-C4' energy: -32.106
flat angles P-C4'-P energy: -14.296
tors. eta vs tors. theta energy: -32.404
Dist. restrs. and SS energy: 0.100 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -381.595552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.595552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.932650 (E_RNA)
where:
Base-Base interactions energy: -254.245
where: short stacking energy: -98.675
Base-Backbone interact. energy: -0.500
local terms energy: -127.187452
where:
bonds (distance) C4'-P energy: -24.283
bonds (distance) P-C4' energy: -24.693
flat angles C4'-P-C4' energy: -27.013
flat angles P-C4'-P energy: -22.760
tors. eta vs tors. theta energy: -28.439
Dist. restrs. and SS energy: 0.337 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -375.039683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.039683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.090126 (E_RNA)
where:
Base-Base interactions energy: -259.045
where: short stacking energy: -106.044
Base-Backbone interact. energy: 1.464
local terms energy: -117.509175
where:
bonds (distance) C4'-P energy: -20.131
bonds (distance) P-C4' energy: -30.775
flat angles C4'-P-C4' energy: -19.326
flat angles P-C4'-P energy: -15.699
tors. eta vs tors. theta energy: -31.578
Dist. restrs. and SS energy: 0.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -352.790487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.790487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.931553 (E_RNA)
where:
Base-Base interactions energy: -240.938
where: short stacking energy: -93.332
Base-Backbone interact. energy: -0.731
local terms energy: -111.262349
where:
bonds (distance) C4'-P energy: -28.870
bonds (distance) P-C4' energy: -18.544
flat angles C4'-P-C4' energy: -29.363
flat angles P-C4'-P energy: -12.661
tors. eta vs tors. theta energy: -21.824
Dist. restrs. and SS energy: 0.141 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -346.782589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.782589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.177858 (E_RNA)
where:
Base-Base interactions energy: -240.610
where: short stacking energy: -97.701
Base-Backbone interact. energy: 0.189
local terms energy: -106.756266
where:
bonds (distance) C4'-P energy: -16.097
bonds (distance) P-C4' energy: -24.948
flat angles C4'-P-C4' energy: -26.509
flat angles P-C4'-P energy: -14.287
tors. eta vs tors. theta energy: -24.916
Dist. restrs. and SS energy: 0.395 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -351.831556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.831556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.189260 (E_RNA)
where:
Base-Base interactions energy: -240.531
where: short stacking energy: -98.549
Base-Backbone interact. energy: -0.713
local terms energy: -110.944857
where:
bonds (distance) C4'-P energy: -24.756
bonds (distance) P-C4' energy: -26.535
flat angles C4'-P-C4' energy: -22.859
flat angles P-C4'-P energy: -7.209
tors. eta vs tors. theta energy: -29.586
Dist. restrs. and SS energy: 0.358 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -326.578394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.578394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.928629 (E_RNA)
where:
Base-Base interactions energy: -230.325
where: short stacking energy: -92.978
Base-Backbone interact. energy: -0.414
local terms energy: -96.189520
where:
bonds (distance) C4'-P energy: -16.367
bonds (distance) P-C4' energy: -21.598
flat angles C4'-P-C4' energy: -22.631
flat angles P-C4'-P energy: -11.134
tors. eta vs tors. theta energy: -24.460
Dist. restrs. and SS energy: 0.350 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -306.348497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.348497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.277995 (E_RNA)
where:
Base-Base interactions energy: -204.114
where: short stacking energy: -73.423
Base-Backbone interact. energy: -0.852
local terms energy: -102.311568
where:
bonds (distance) C4'-P energy: -22.855
bonds (distance) P-C4' energy: -25.390
flat angles C4'-P-C4' energy: -23.680
flat angles P-C4'-P energy: -12.120
tors. eta vs tors. theta energy: -18.266
Dist. restrs. and SS energy: 0.929 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -413.485961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.485961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.762495 (E_RNA)
where:
Base-Base interactions energy: -272.470
where: short stacking energy: -109.645
Base-Backbone interact. energy: 0.265
local terms energy: -141.557875
where:
bonds (distance) C4'-P energy: -30.231
bonds (distance) P-C4' energy: -27.428
flat angles C4'-P-C4' energy: -32.143
flat angles P-C4'-P energy: -20.519
tors. eta vs tors. theta energy: -31.237
Dist. restrs. and SS energy: 0.277 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -405.183287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.183287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.336041 (E_RNA)
where:
Base-Base interactions energy: -267.152
where: short stacking energy: -102.071
Base-Backbone interact. energy: -0.354
local terms energy: -137.830199
where:
bonds (distance) C4'-P energy: -27.103
bonds (distance) P-C4' energy: -28.612
flat angles C4'-P-C4' energy: -31.293
flat angles P-C4'-P energy: -19.031
tors. eta vs tors. theta energy: -31.791
Dist. restrs. and SS energy: 0.153 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -389.857275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.857275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.183983 (E_RNA)
where:
Base-Base interactions energy: -270.103
where: short stacking energy: -111.734
Base-Backbone interact. energy: 0.363
local terms energy: -120.443710
where:
bonds (distance) C4'-P energy: -24.414
bonds (distance) P-C4' energy: -25.176
flat angles C4'-P-C4' energy: -29.172
flat angles P-C4'-P energy: -9.335
tors. eta vs tors. theta energy: -32.346
Dist. restrs. and SS energy: 0.327 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -383.391433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.391433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.176994 (E_RNA)
where:
Base-Base interactions energy: -247.531
where: short stacking energy: -109.310
Base-Backbone interact. energy: 0.461
local terms energy: -137.106979
where:
bonds (distance) C4'-P energy: -23.522
bonds (distance) P-C4' energy: -29.866
flat angles C4'-P-C4' energy: -30.574
flat angles P-C4'-P energy: -22.102
tors. eta vs tors. theta energy: -31.043
Dist. restrs. and SS energy: 0.786 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -384.593800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.593800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.051660 (E_RNA)
where:
Base-Base interactions energy: -256.247
where: short stacking energy: -104.128
Base-Backbone interact. energy: -0.775
local terms energy: -128.030285
where:
bonds (distance) C4'-P energy: -29.090
bonds (distance) P-C4' energy: -26.768
flat angles C4'-P-C4' energy: -27.867
flat angles P-C4'-P energy: -14.781
tors. eta vs tors. theta energy: -29.524
Dist. restrs. and SS energy: 0.458 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -367.293047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.293047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.743998 (E_RNA)
where:
Base-Base interactions energy: -244.310
where: short stacking energy: -101.673
Base-Backbone interact. energy: 3.125
local terms energy: -126.559224
where:
bonds (distance) C4'-P energy: -28.390
bonds (distance) P-C4' energy: -24.859
flat angles C4'-P-C4' energy: -27.947
flat angles P-C4'-P energy: -18.209
tors. eta vs tors. theta energy: -27.154
Dist. restrs. and SS energy: 0.451 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -335.511665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.511665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.217259 (E_RNA)
where:
Base-Base interactions energy: -223.237
where: short stacking energy: -89.184
Base-Backbone interact. energy: -0.698
local terms energy: -112.282914
where:
bonds (distance) C4'-P energy: -23.397
bonds (distance) P-C4' energy: -21.869
flat angles C4'-P-C4' energy: -26.482
flat angles P-C4'-P energy: -16.159
tors. eta vs tors. theta energy: -24.376
Dist. restrs. and SS energy: 0.706 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -321.290853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.290853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.454523 (E_RNA)
where:
Base-Base interactions energy: -222.839
where: short stacking energy: -87.316
Base-Backbone interact. energy: -0.161
local terms energy: -98.455171
where:
bonds (distance) C4'-P energy: -19.741
bonds (distance) P-C4' energy: -22.538
flat angles C4'-P-C4' energy: -21.256
flat angles P-C4'-P energy: -16.027
tors. eta vs tors. theta energy: -18.894
Dist. restrs. and SS energy: 0.164 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -323.561811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.561811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.813477 (E_RNA)
where:
Base-Base interactions energy: -213.996
where: short stacking energy: -77.422
Base-Backbone interact. energy: -0.340
local terms energy: -109.477499
where:
bonds (distance) C4'-P energy: -19.037
bonds (distance) P-C4' energy: -23.122
flat angles C4'-P-C4' energy: -27.773
flat angles P-C4'-P energy: -18.716
tors. eta vs tors. theta energy: -20.829
Dist. restrs. and SS energy: 0.252 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -311.677575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.677575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.840721 (E_RNA)
where:
Base-Base interactions energy: -217.444
where: short stacking energy: -88.346
Base-Backbone interact. energy: -0.412
local terms energy: -93.984262
where:
bonds (distance) C4'-P energy: -21.908
bonds (distance) P-C4' energy: -21.066
flat angles C4'-P-C4' energy: -22.219
flat angles P-C4'-P energy: -12.606
tors. eta vs tors. theta energy: -16.187
Dist. restrs. and SS energy: 0.163 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -428.498584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.498584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.781413 (E_RNA)
where:
Base-Base interactions energy: -287.715
where: short stacking energy: -119.688
Base-Backbone interact. energy: -2.080
local terms energy: -138.986807
where:
bonds (distance) C4'-P energy: -27.814
bonds (distance) P-C4' energy: -27.440
flat angles C4'-P-C4' energy: -30.116
flat angles P-C4'-P energy: -19.563
tors. eta vs tors. theta energy: -34.054
Dist. restrs. and SS energy: 0.283 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -404.533881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.533881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.823098 (E_RNA)
where:
Base-Base interactions energy: -274.024
where: short stacking energy: -122.500
Base-Backbone interact. energy: -0.176
local terms energy: -130.622809
where:
bonds (distance) C4'-P energy: -27.145
bonds (distance) P-C4' energy: -27.399
flat angles C4'-P-C4' energy: -28.619
flat angles P-C4'-P energy: -19.541
tors. eta vs tors. theta energy: -27.919
Dist. restrs. and SS energy: 0.289 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -413.604999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.604999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.010688 (E_RNA)
where:
Base-Base interactions energy: -281.537
where: short stacking energy: -101.247
Base-Backbone interact. energy: -0.280
local terms energy: -132.193194
where:
bonds (distance) C4'-P energy: -26.375
bonds (distance) P-C4' energy: -25.748
flat angles C4'-P-C4' energy: -30.004
flat angles P-C4'-P energy: -18.653
tors. eta vs tors. theta energy: -31.414
Dist. restrs. and SS energy: 0.406 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -393.732583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.732583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.008311 (E_RNA)
where:
Base-Base interactions energy: -258.930
where: short stacking energy: -104.155
Base-Backbone interact. energy: -1.728
local terms energy: -133.349892
where:
bonds (distance) C4'-P energy: -21.880
bonds (distance) P-C4' energy: -28.516
flat angles C4'-P-C4' energy: -28.573
flat angles P-C4'-P energy: -22.471
tors. eta vs tors. theta energy: -31.910
Dist. restrs. and SS energy: 0.276 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -380.756358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.756358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.191949 (E_RNA)
where:
Base-Base interactions energy: -257.379
where: short stacking energy: -108.753
Base-Backbone interact. energy: -0.622
local terms energy: -123.190795
where:
bonds (distance) C4'-P energy: -30.820
bonds (distance) P-C4' energy: -26.128
flat angles C4'-P-C4' energy: -27.612
flat angles P-C4'-P energy: -6.457
tors. eta vs tors. theta energy: -32.173
Dist. restrs. and SS energy: 0.436 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -348.055210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.055210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.389027 (E_RNA)
where:
Base-Base interactions energy: -240.769
where: short stacking energy: -111.665
Base-Backbone interact. energy: -0.282
local terms energy: -107.337337
where:
bonds (distance) C4'-P energy: -21.231
bonds (distance) P-C4' energy: -18.488
flat angles C4'-P-C4' energy: -29.855
flat angles P-C4'-P energy: -11.166
tors. eta vs tors. theta energy: -26.598
Dist. restrs. and SS energy: 0.334 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -336.076321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.076321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.318824 (E_RNA)
where:
Base-Base interactions energy: -221.244
where: short stacking energy: -86.359
Base-Backbone interact. energy: -0.659
local terms energy: -114.415538
where:
bonds (distance) C4'-P energy: -23.655
bonds (distance) P-C4' energy: -21.816
flat angles C4'-P-C4' energy: -27.404
flat angles P-C4'-P energy: -14.031
tors. eta vs tors. theta energy: -27.510
Dist. restrs. and SS energy: 0.243 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -315.231438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.231438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.453157 (E_RNA)
where:
Base-Base interactions energy: -213.077
where: short stacking energy: -74.987
Base-Backbone interact. energy: 0.099
local terms energy: -102.475633
where:
bonds (distance) C4'-P energy: -24.870
bonds (distance) P-C4' energy: -26.088
flat angles C4'-P-C4' energy: -24.099
flat angles P-C4'-P energy: -10.782
tors. eta vs tors. theta energy: -16.636
Dist. restrs. and SS energy: 0.222 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -319.389727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.389727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.644777 (E_RNA)
where:
Base-Base interactions energy: -218.268
where: short stacking energy: -90.107
Base-Backbone interact. energy: -0.748
local terms energy: -100.628504
where:
bonds (distance) C4'-P energy: -17.329
bonds (distance) P-C4' energy: -24.935
flat angles C4'-P-C4' energy: -17.098
flat angles P-C4'-P energy: -21.644
tors. eta vs tors. theta energy: -19.623
Dist. restrs. and SS energy: 0.255 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -303.476804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.476804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.517762 (E_RNA)
where:
Base-Base interactions energy: -199.092
where: short stacking energy: -76.625
Base-Backbone interact. energy: 1.232
local terms energy: -106.657825
where:
bonds (distance) C4'-P energy: -25.907
bonds (distance) P-C4' energy: -23.760
flat angles C4'-P-C4' energy: -19.659
flat angles P-C4'-P energy: -18.296
tors. eta vs tors. theta energy: -19.036
Dist. restrs. and SS energy: 1.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -430.577469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.577469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.890988 (E_RNA)
where:
Base-Base interactions energy: -289.470
where: short stacking energy: -126.215
Base-Backbone interact. energy: 0.086
local terms energy: -141.507132
where:
bonds (distance) C4'-P energy: -26.890
bonds (distance) P-C4' energy: -25.873
flat angles C4'-P-C4' energy: -33.915
flat angles P-C4'-P energy: -18.454
tors. eta vs tors. theta energy: -36.375
Dist. restrs. and SS energy: 0.314 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -413.964995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.964995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.073677 (E_RNA)
where:
Base-Base interactions energy: -282.950
where: short stacking energy: -110.985
Base-Backbone interact. energy: 0.131
local terms energy: -131.253922
where:
bonds (distance) C4'-P energy: -23.205
bonds (distance) P-C4' energy: -29.199
flat angles C4'-P-C4' energy: -30.178
flat angles P-C4'-P energy: -18.285
tors. eta vs tors. theta energy: -30.387
Dist. restrs. and SS energy: 0.109 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -411.085937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.085937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.211155 (E_RNA)
where:
Base-Base interactions energy: -277.523
where: short stacking energy: -116.577
Base-Backbone interact. energy: 0.158
local terms energy: -133.845801
where:
bonds (distance) C4'-P energy: -27.765
bonds (distance) P-C4' energy: -25.833
flat angles C4'-P-C4' energy: -31.067
flat angles P-C4'-P energy: -14.011
tors. eta vs tors. theta energy: -35.169
Dist. restrs. and SS energy: 0.125 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -379.802697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.802697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.976401 (E_RNA)
where:
Base-Base interactions energy: -255.275
where: short stacking energy: -110.312
Base-Backbone interact. energy: -0.306
local terms energy: -124.395238
where:
bonds (distance) C4'-P energy: -25.812
bonds (distance) P-C4' energy: -24.027
flat angles C4'-P-C4' energy: -29.606
flat angles P-C4'-P energy: -11.749
tors. eta vs tors. theta energy: -33.201
Dist. restrs. and SS energy: 0.174 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -384.024801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.024801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.038694 (E_RNA)
where:
Base-Base interactions energy: -255.552
where: short stacking energy: -105.800
Base-Backbone interact. energy: -0.140
local terms energy: -128.347341
where:
bonds (distance) C4'-P energy: -28.115
bonds (distance) P-C4' energy: -22.148
flat angles C4'-P-C4' energy: -30.416
flat angles P-C4'-P energy: -16.470
tors. eta vs tors. theta energy: -31.197
Dist. restrs. and SS energy: 0.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -345.313741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.313741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.572712 (E_RNA)
where:
Base-Base interactions energy: -224.514
where: short stacking energy: -94.826
Base-Backbone interact. energy: -1.021
local terms energy: -120.038036
where:
bonds (distance) C4'-P energy: -23.329
bonds (distance) P-C4' energy: -27.489
flat angles C4'-P-C4' energy: -26.023
flat angles P-C4'-P energy: -19.263
tors. eta vs tors. theta energy: -23.934
Dist. restrs. and SS energy: 0.259 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -346.646478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.646478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.703678 (E_RNA)
where:
Base-Base interactions energy: -232.458
where: short stacking energy: -93.161
Base-Backbone interact. energy: -0.162
local terms energy: -114.084435
where:
bonds (distance) C4'-P energy: -25.898
bonds (distance) P-C4' energy: -27.751
flat angles C4'-P-C4' energy: -19.860
flat angles P-C4'-P energy: -9.719
tors. eta vs tors. theta energy: -30.856
Dist. restrs. and SS energy: 0.057 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -347.752175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.752175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.863091 (E_RNA)
where:
Base-Base interactions energy: -241.960
where: short stacking energy: -96.441
Base-Backbone interact. energy: -0.919
local terms energy: -104.984413
where:
bonds (distance) C4'-P energy: -21.187
bonds (distance) P-C4' energy: -19.222
flat angles C4'-P-C4' energy: -24.272
flat angles P-C4'-P energy: -13.887
tors. eta vs tors. theta energy: -26.416
Dist. restrs. and SS energy: 0.111 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -327.348927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.348927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.651369 (E_RNA)
where:
Base-Base interactions energy: -222.024
where: short stacking energy: -93.568
Base-Backbone interact. energy: -0.073
local terms energy: -106.554172
where:
bonds (distance) C4'-P energy: -19.523
bonds (distance) P-C4' energy: -27.065
flat angles C4'-P-C4' energy: -23.579
flat angles P-C4'-P energy: -14.186
tors. eta vs tors. theta energy: -22.202
Dist. restrs. and SS energy: 1.302 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -300.563560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.563560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.869323 (E_RNA)
where:
Base-Base interactions energy: -206.491
where: short stacking energy: -69.672
Base-Backbone interact. energy: 2.084
local terms energy: -96.462163
where:
bonds (distance) C4'-P energy: -21.298
bonds (distance) P-C4' energy: -21.795
flat angles C4'-P-C4' energy: -23.660
flat angles P-C4'-P energy: -7.379
tors. eta vs tors. theta energy: -22.329
Dist. restrs. and SS energy: 0.306 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -424.116015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.116015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.128313 (E_RNA)
where:
Base-Base interactions energy: -288.584
where: short stacking energy: -118.928
Base-Backbone interact. energy: 0.272
local terms energy: -135.816595
where:
bonds (distance) C4'-P energy: -25.259
bonds (distance) P-C4' energy: -27.786
flat angles C4'-P-C4' energy: -29.638
flat angles P-C4'-P energy: -18.423
tors. eta vs tors. theta energy: -34.710
Dist. restrs. and SS energy: 0.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -414.550838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.550838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.736409 (E_RNA)
where:
Base-Base interactions energy: -274.449
where: short stacking energy: -113.538
Base-Backbone interact. energy: -0.394
local terms energy: -139.892943
where:
bonds (distance) C4'-P energy: -27.574
bonds (distance) P-C4' energy: -27.648
flat angles C4'-P-C4' energy: -32.185
flat angles P-C4'-P energy: -19.909
tors. eta vs tors. theta energy: -32.577
Dist. restrs. and SS energy: 0.186 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -405.064831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.064831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.240978 (E_RNA)
where:
Base-Base interactions energy: -276.325
where: short stacking energy: -108.922
Base-Backbone interact. energy: -0.367
local terms energy: -128.548484
where:
bonds (distance) C4'-P energy: -20.610
bonds (distance) P-C4' energy: -31.327
flat angles C4'-P-C4' energy: -25.784
flat angles P-C4'-P energy: -18.040
tors. eta vs tors. theta energy: -32.788
Dist. restrs. and SS energy: 0.176 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -383.684490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.684490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.011710 (E_RNA)
where:
Base-Base interactions energy: -250.862
where: short stacking energy: -103.407
Base-Backbone interact. energy: -0.229
local terms energy: -132.920094
where:
bonds (distance) C4'-P energy: -29.189
bonds (distance) P-C4' energy: -29.793
flat angles C4'-P-C4' energy: -29.176
flat angles P-C4'-P energy: -15.415
tors. eta vs tors. theta energy: -29.347
Dist. restrs. and SS energy: 0.327 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -361.702987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.702987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.600933 (E_RNA)
where:
Base-Base interactions energy: -240.690
where: short stacking energy: -91.124
Base-Backbone interact. energy: -0.135
local terms energy: -121.776857
where:
bonds (distance) C4'-P energy: -24.379
bonds (distance) P-C4' energy: -29.063
flat angles C4'-P-C4' energy: -21.133
flat angles P-C4'-P energy: -17.642
tors. eta vs tors. theta energy: -29.560
Dist. restrs. and SS energy: 0.898 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -372.706843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.706843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.207487 (E_RNA)
where:
Base-Base interactions energy: -256.293
where: short stacking energy: -94.156
Base-Backbone interact. energy: -0.547
local terms energy: -116.366536
where:
bonds (distance) C4'-P energy: -19.856
bonds (distance) P-C4' energy: -30.817
flat angles C4'-P-C4' energy: -27.625
flat angles P-C4'-P energy: -7.292
tors. eta vs tors. theta energy: -30.776
Dist. restrs. and SS energy: 0.501 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -345.578534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.578534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.863319 (E_RNA)
where:
Base-Base interactions energy: -234.356
where: short stacking energy: -102.288
Base-Backbone interact. energy: -0.456
local terms energy: -111.050786
where:
bonds (distance) C4'-P energy: -20.221
bonds (distance) P-C4' energy: -22.346
flat angles C4'-P-C4' energy: -29.965
flat angles P-C4'-P energy: -10.482
tors. eta vs tors. theta energy: -28.037
Dist. restrs. and SS energy: 0.285 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -338.098785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.098785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.402973 (E_RNA)
where:
Base-Base interactions energy: -220.164
where: short stacking energy: -88.179
Base-Backbone interact. energy: -0.373
local terms energy: -117.865941
where:
bonds (distance) C4'-P energy: -28.246
bonds (distance) P-C4' energy: -28.925
flat angles C4'-P-C4' energy: -21.045
flat angles P-C4'-P energy: -13.832
tors. eta vs tors. theta energy: -25.818
Dist. restrs. and SS energy: 0.304 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -327.558976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.558976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.160042 (E_RNA)
where:
Base-Base interactions energy: -214.881
where: short stacking energy: -83.354
Base-Backbone interact. energy: -0.836
local terms energy: -112.442947
where:
bonds (distance) C4'-P energy: -23.908
bonds (distance) P-C4' energy: -24.385
flat angles C4'-P-C4' energy: -19.118
flat angles P-C4'-P energy: -18.909
tors. eta vs tors. theta energy: -26.123
Dist. restrs. and SS energy: 0.601 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -316.536456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.536456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.606982 (E_RNA)
where:
Base-Base interactions energy: -221.275
where: short stacking energy: -81.747
Base-Backbone interact. energy: -0.598
local terms energy: -94.734542
where:
bonds (distance) C4'-P energy: -17.755
bonds (distance) P-C4' energy: -21.046
flat angles C4'-P-C4' energy: -22.092
flat angles P-C4'-P energy: -16.839
tors. eta vs tors. theta energy: -17.003
Dist. restrs. and SS energy: 0.071 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -419.070181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.070181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.155181 (E_RNA)
where:
Base-Base interactions energy: -284.778
where: short stacking energy: -118.578
Base-Backbone interact. energy: -1.082
local terms energy: -133.295865
where:
bonds (distance) C4'-P energy: -25.870
bonds (distance) P-C4' energy: -25.879
flat angles C4'-P-C4' energy: -28.502
flat angles P-C4'-P energy: -21.214
tors. eta vs tors. theta energy: -31.831
Dist. restrs. and SS energy: 0.085 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -406.252829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.252829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.429164 (E_RNA)
where:
Base-Base interactions energy: -281.050
where: short stacking energy: -104.208
Base-Backbone interact. energy: -0.965
local terms energy: -124.414291
where:
bonds (distance) C4'-P energy: -20.471
bonds (distance) P-C4' energy: -28.221
flat angles C4'-P-C4' energy: -22.706
flat angles P-C4'-P energy: -19.649
tors. eta vs tors. theta energy: -33.368
Dist. restrs. and SS energy: 0.176 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -408.022171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.022171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.299668 (E_RNA)
where:
Base-Base interactions energy: -279.749
where: short stacking energy: -115.118
Base-Backbone interact. energy: -0.188
local terms energy: -128.362592
where:
bonds (distance) C4'-P energy: -23.534
bonds (distance) P-C4' energy: -30.489
flat angles C4'-P-C4' energy: -28.587
flat angles P-C4'-P energy: -13.648
tors. eta vs tors. theta energy: -32.105
Dist. restrs. and SS energy: 0.277 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -371.221592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.221592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.644886 (E_RNA)
where:
Base-Base interactions energy: -250.933
where: short stacking energy: -109.695
Base-Backbone interact. energy: -0.708
local terms energy: -120.003718
where:
bonds (distance) C4'-P energy: -27.679
bonds (distance) P-C4' energy: -24.667
flat angles C4'-P-C4' energy: -23.547
flat angles P-C4'-P energy: -16.489
tors. eta vs tors. theta energy: -27.621
Dist. restrs. and SS energy: 0.423 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -365.378820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.378820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.688455 (E_RNA)
where:
Base-Base interactions energy: -247.501
where: short stacking energy: -94.265
Base-Backbone interact. energy: -0.457
local terms energy: -117.730579
where:
bonds (distance) C4'-P energy: -18.368
bonds (distance) P-C4' energy: -23.058
flat angles C4'-P-C4' energy: -30.389
flat angles P-C4'-P energy: -19.750
tors. eta vs tors. theta energy: -26.165
Dist. restrs. and SS energy: 0.310 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -367.561095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.561095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.865880 (E_RNA)
where:
Base-Base interactions energy: -243.600
where: short stacking energy: -98.223
Base-Backbone interact. energy: -0.219
local terms energy: -124.047400
where:
bonds (distance) C4'-P energy: -24.499
bonds (distance) P-C4' energy: -27.822
flat angles C4'-P-C4' energy: -23.157
flat angles P-C4'-P energy: -17.062
tors. eta vs tors. theta energy: -31.507
Dist. restrs. and SS energy: 0.305 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -344.604532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.604532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.625278 (E_RNA)
where:
Base-Base interactions energy: -222.477
where: short stacking energy: -85.048
Base-Backbone interact. energy: -0.346
local terms energy: -121.802420
where:
bonds (distance) C4'-P energy: -29.702
bonds (distance) P-C4' energy: -22.256
flat angles C4'-P-C4' energy: -27.387
flat angles P-C4'-P energy: -16.583
tors. eta vs tors. theta energy: -25.875
Dist. restrs. and SS energy: 0.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -349.223937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.223937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.324301 (E_RNA)
where:
Base-Base interactions energy: -232.790
where: short stacking energy: -93.993
Base-Backbone interact. energy: -0.188
local terms energy: -116.346757
where:
bonds (distance) C4'-P energy: -29.044
bonds (distance) P-C4' energy: -20.730
flat angles C4'-P-C4' energy: -31.666
flat angles P-C4'-P energy: -9.974
tors. eta vs tors. theta energy: -24.933
Dist. restrs. and SS energy: 0.100 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -310.083577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.083577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.553557 (E_RNA)
where:
Base-Base interactions energy: -214.648
where: short stacking energy: -79.942
Base-Backbone interact. energy: -0.128
local terms energy: -95.777015
where:
bonds (distance) C4'-P energy: -26.152
bonds (distance) P-C4' energy: -10.744
flat angles C4'-P-C4' energy: -23.536
flat angles P-C4'-P energy: -16.753
tors. eta vs tors. theta energy: -18.592
Dist. restrs. and SS energy: 0.470 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -322.855404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.855404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.105279 (E_RNA)
where:
Base-Base interactions energy: -220.826
where: short stacking energy: -86.666
Base-Backbone interact. energy: -0.562
local terms energy: -101.717081
where:
bonds (distance) C4'-P energy: -20.316
bonds (distance) P-C4' energy: -19.296
flat angles C4'-P-C4' energy: -21.091
flat angles P-C4'-P energy: -20.506
tors. eta vs tors. theta energy: -20.508
Dist. restrs. and SS energy: 0.250 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -420.291756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.291756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.759644 (E_RNA)
where:
Base-Base interactions energy: -278.820
where: short stacking energy: -116.647
Base-Backbone interact. energy: -2.624
local terms energy: -139.315004
where:
bonds (distance) C4'-P energy: -25.437
bonds (distance) P-C4' energy: -25.717
flat angles C4'-P-C4' energy: -31.236
flat angles P-C4'-P energy: -23.358
tors. eta vs tors. theta energy: -33.567
Dist. restrs. and SS energy: 0.468 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -412.712952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.712952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.744460 (E_RNA)
where:
Base-Base interactions energy: -278.035
where: short stacking energy: -107.346
Base-Backbone interact. energy: -0.876
local terms energy: -133.833612
where:
bonds (distance) C4'-P energy: -25.170
bonds (distance) P-C4' energy: -33.177
flat angles C4'-P-C4' energy: -26.985
flat angles P-C4'-P energy: -16.053
tors. eta vs tors. theta energy: -32.449
Dist. restrs. and SS energy: 0.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -398.825252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.825252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.175070 (E_RNA)
where:
Base-Base interactions energy: -265.762
where: short stacking energy: -120.601
Base-Backbone interact. energy: -1.241
local terms energy: -132.172255
where:
bonds (distance) C4'-P energy: -28.067
bonds (distance) P-C4' energy: -28.542
flat angles C4'-P-C4' energy: -25.313
flat angles P-C4'-P energy: -17.701
tors. eta vs tors. theta energy: -32.549
Dist. restrs. and SS energy: 0.350 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -365.516611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.516611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.723364 (E_RNA)
where:
Base-Base interactions energy: -242.555
where: short stacking energy: -106.651
Base-Backbone interact. energy: -0.704
local terms energy: -122.463857
where:
bonds (distance) C4'-P energy: -23.241
bonds (distance) P-C4' energy: -22.582
flat angles C4'-P-C4' energy: -26.804
flat angles P-C4'-P energy: -21.583
tors. eta vs tors. theta energy: -28.254
Dist. restrs. and SS energy: 0.207 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -382.373745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.373745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.744950 (E_RNA)
where:
Base-Base interactions energy: -268.435
where: short stacking energy: -111.293
Base-Backbone interact. energy: -1.362
local terms energy: -112.948276
where:
bonds (distance) C4'-P energy: -22.442
bonds (distance) P-C4' energy: -19.658
flat angles C4'-P-C4' energy: -26.981
flat angles P-C4'-P energy: -12.556
tors. eta vs tors. theta energy: -31.312
Dist. restrs. and SS energy: 0.371 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -385.957776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.957776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.244705 (E_RNA)
where:
Base-Base interactions energy: -261.611
where: short stacking energy: -107.118
Base-Backbone interact. energy: -0.454
local terms energy: -124.180545
where:
bonds (distance) C4'-P energy: -26.295
bonds (distance) P-C4' energy: -28.209
flat angles C4'-P-C4' energy: -26.735
flat angles P-C4'-P energy: -9.388
tors. eta vs tors. theta energy: -33.554
Dist. restrs. and SS energy: 0.287 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -335.953009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.953009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.069814 (E_RNA)
where:
Base-Base interactions energy: -225.502
where: short stacking energy: -87.784
Base-Backbone interact. energy: 0.746
local terms energy: -111.313790
where:
bonds (distance) C4'-P energy: -22.467
bonds (distance) P-C4' energy: -29.050
flat angles C4'-P-C4' energy: -25.713
flat angles P-C4'-P energy: -14.610
tors. eta vs tors. theta energy: -19.474
Dist. restrs. and SS energy: 0.117 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -323.339161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.339161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.642373 (E_RNA)
where:
Base-Base interactions energy: -213.359
where: short stacking energy: -89.116
Base-Backbone interact. energy: -0.263
local terms energy: -110.020441
where:
bonds (distance) C4'-P energy: -26.091
bonds (distance) P-C4' energy: -24.644
flat angles C4'-P-C4' energy: -25.362
flat angles P-C4'-P energy: -11.961
tors. eta vs tors. theta energy: -21.962
Dist. restrs. and SS energy: 0.303 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -327.395036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.395036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.585685 (E_RNA)
where:
Base-Base interactions energy: -222.599
where: short stacking energy: -77.640
Base-Backbone interact. energy: -0.147
local terms energy: -104.840045
where:
bonds (distance) C4'-P energy: -25.554
bonds (distance) P-C4' energy: -23.122
flat angles C4'-P-C4' energy: -15.609
flat angles P-C4'-P energy: -15.616
tors. eta vs tors. theta energy: -24.939
Dist. restrs. and SS energy: 0.191 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -312.408365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.408365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.898914 (E_RNA)
where:
Base-Base interactions energy: -204.775
where: short stacking energy: -83.204
Base-Backbone interact. energy: -0.528
local terms energy: -107.595925
where:
bonds (distance) C4'-P energy: -18.773
bonds (distance) P-C4' energy: -26.899
flat angles C4'-P-C4' energy: -25.738
flat angles P-C4'-P energy: -13.873
tors. eta vs tors. theta energy: -22.314
Dist. restrs. and SS energy: 0.491 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -423.686807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.686807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.110989 (E_RNA)
where:
Base-Base interactions energy: -285.336
where: short stacking energy: -119.010
Base-Backbone interact. energy: -0.321
local terms energy: -138.453944
where:
bonds (distance) C4'-P energy: -28.956
bonds (distance) P-C4' energy: -25.219
flat angles C4'-P-C4' energy: -33.537
flat angles P-C4'-P energy: -13.297
tors. eta vs tors. theta energy: -37.445
Dist. restrs. and SS energy: 0.424 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -408.881374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.881374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.172059 (E_RNA)
where:
Base-Base interactions energy: -280.740
where: short stacking energy: -118.186
Base-Backbone interact. energy: 0.558
local terms energy: -128.989717
where:
bonds (distance) C4'-P energy: -26.413
bonds (distance) P-C4' energy: -28.570
flat angles C4'-P-C4' energy: -27.170
flat angles P-C4'-P energy: -13.039
tors. eta vs tors. theta energy: -33.797
Dist. restrs. and SS energy: 0.291 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -406.339877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.339877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.418748 (E_RNA)
where:
Base-Base interactions energy: -273.756
where: short stacking energy: -111.963
Base-Backbone interact. energy: -0.035
local terms energy: -132.628129
where:
bonds (distance) C4'-P energy: -22.843
bonds (distance) P-C4' energy: -30.145
flat angles C4'-P-C4' energy: -29.955
flat angles P-C4'-P energy: -19.030
tors. eta vs tors. theta energy: -30.655
Dist. restrs. and SS energy: 0.079 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -399.514583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.514583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.714822 (E_RNA)
where:
Base-Base interactions energy: -269.294
where: short stacking energy: -109.206
Base-Backbone interact. energy: -0.384
local terms energy: -130.036248
where:
bonds (distance) C4'-P energy: -26.126
bonds (distance) P-C4' energy: -27.905
flat angles C4'-P-C4' energy: -27.796
flat angles P-C4'-P energy: -18.587
tors. eta vs tors. theta energy: -29.622
Dist. restrs. and SS energy: 0.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -350.042072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.042072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.317142 (E_RNA)
where:
Base-Base interactions energy: -234.951
where: short stacking energy: -99.816
Base-Backbone interact. energy: -1.190
local terms energy: -114.176951
where:
bonds (distance) C4'-P energy: -23.338
bonds (distance) P-C4' energy: -22.381
flat angles C4'-P-C4' energy: -24.633
flat angles P-C4'-P energy: -14.859
tors. eta vs tors. theta energy: -28.966
Dist. restrs. and SS energy: 0.275 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -381.387505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.387505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.985346 (E_RNA)
where:
Base-Base interactions energy: -272.540
where: short stacking energy: -118.037
Base-Backbone interact. energy: -0.654
local terms energy: -108.791122
where:
bonds (distance) C4'-P energy: -18.549
bonds (distance) P-C4' energy: -19.949
flat angles C4'-P-C4' energy: -21.621
flat angles P-C4'-P energy: -18.761
tors. eta vs tors. theta energy: -29.911
Dist. restrs. and SS energy: 0.598 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -355.125066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.125066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.210758 (E_RNA)
where:
Base-Base interactions energy: -239.292
where: short stacking energy: -101.473
Base-Backbone interact. energy: -0.770
local terms energy: -115.147833
where:
bonds (distance) C4'-P energy: -23.116
bonds (distance) P-C4' energy: -22.061
flat angles C4'-P-C4' energy: -22.807
flat angles P-C4'-P energy: -16.625
tors. eta vs tors. theta energy: -30.539
Dist. restrs. and SS energy: 0.086 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -334.029276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.029276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.438686 (E_RNA)
where:
Base-Base interactions energy: -221.172
where: short stacking energy: -83.899
Base-Backbone interact. energy: -0.203
local terms energy: -113.063638
where:
bonds (distance) C4'-P energy: -23.725
bonds (distance) P-C4' energy: -18.009
flat angles C4'-P-C4' energy: -25.554
flat angles P-C4'-P energy: -20.898
tors. eta vs tors. theta energy: -24.877
Dist. restrs. and SS energy: 0.409 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -316.106879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.106879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.505371 (E_RNA)
where:
Base-Base interactions energy: -205.052
where: short stacking energy: -74.288
Base-Backbone interact. energy: 1.364
local terms energy: -112.817151
where:
bonds (distance) C4'-P energy: -23.430
bonds (distance) P-C4' energy: -29.617
flat angles C4'-P-C4' energy: -25.570
flat angles P-C4'-P energy: -13.111
tors. eta vs tors. theta energy: -21.089
Dist. restrs. and SS energy: 0.398 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -310.146379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.146379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.337665 (E_RNA)
where:
Base-Base interactions energy: -216.588
where: short stacking energy: -81.738
Base-Backbone interact. energy: -0.485
local terms energy: -93.264967
where:
bonds (distance) C4'-P energy: -10.156
bonds (distance) P-C4' energy: -18.697
flat angles C4'-P-C4' energy: -28.171
flat angles P-C4'-P energy: -16.420
tors. eta vs tors. theta energy: -19.822
Dist. restrs. and SS energy: 0.191 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -427.245857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.245857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.789416 (E_RNA)
where:
Base-Base interactions energy: -292.108
where: short stacking energy: -122.282
Base-Backbone interact. energy: -0.449
local terms energy: -135.232052
where:
bonds (distance) C4'-P energy: -26.175
bonds (distance) P-C4' energy: -31.427
flat angles C4'-P-C4' energy: -25.791
flat angles P-C4'-P energy: -17.364
tors. eta vs tors. theta energy: -34.475
Dist. restrs. and SS energy: 0.544 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -422.854147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.854147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.743199 (E_RNA)
where:
Base-Base interactions energy: -287.607
where: short stacking energy: -132.135
Base-Backbone interact. energy: -0.636
local terms energy: -135.500205
where:
bonds (distance) C4'-P energy: -25.861
bonds (distance) P-C4' energy: -29.325
flat angles C4'-P-C4' energy: -27.882
flat angles P-C4'-P energy: -19.511
tors. eta vs tors. theta energy: -32.922
Dist. restrs. and SS energy: 0.889 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -406.022612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.022612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.319462 (E_RNA)
where:
Base-Base interactions energy: -276.925
where: short stacking energy: -114.992
Base-Backbone interact. energy: -0.239
local terms energy: -129.154852
where:
bonds (distance) C4'-P energy: -23.737
bonds (distance) P-C4' energy: -24.534
flat angles C4'-P-C4' energy: -33.498
flat angles P-C4'-P energy: -13.863
tors. eta vs tors. theta energy: -33.522
Dist. restrs. and SS energy: 0.297 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -398.801605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.801605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.824607 (E_RNA)
where:
Base-Base interactions energy: -280.795
where: short stacking energy: -106.574
Base-Backbone interact. energy: -0.440
local terms energy: -117.589481
where:
bonds (distance) C4'-P energy: -20.390
bonds (distance) P-C4' energy: -25.335
flat angles C4'-P-C4' energy: -27.426
flat angles P-C4'-P energy: -13.045
tors. eta vs tors. theta energy: -31.394
Dist. restrs. and SS energy: 0.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -352.096700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.096700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.494794 (E_RNA)
where:
Base-Base interactions energy: -238.691
where: short stacking energy: -104.333
Base-Backbone interact. energy: 0.106
local terms energy: -113.909763
where:
bonds (distance) C4'-P energy: -21.609
bonds (distance) P-C4' energy: -25.455
flat angles C4'-P-C4' energy: -23.790
flat angles P-C4'-P energy: -15.641
tors. eta vs tors. theta energy: -27.414
Dist. restrs. and SS energy: 0.398 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -352.842227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.842227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.908207 (E_RNA)
where:
Base-Base interactions energy: -229.057
where: short stacking energy: -96.570
Base-Backbone interact. energy: -2.287
local terms energy: -121.564219
where:
bonds (distance) C4'-P energy: -13.788
bonds (distance) P-C4' energy: -24.316
flat angles C4'-P-C4' energy: -31.997
flat angles P-C4'-P energy: -24.676
tors. eta vs tors. theta energy: -26.787
Dist. restrs. and SS energy: 0.066 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -348.747126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.747126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.869993 (E_RNA)
where:
Base-Base interactions energy: -235.616
where: short stacking energy: -91.786
Base-Backbone interact. energy: -0.522
local terms energy: -113.732186
where:
bonds (distance) C4'-P energy: -25.553
bonds (distance) P-C4' energy: -25.424
flat angles C4'-P-C4' energy: -21.172
flat angles P-C4'-P energy: -14.305
tors. eta vs tors. theta energy: -27.277
Dist. restrs. and SS energy: 1.123 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -352.942955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.942955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.009965 (E_RNA)
where:
Base-Base interactions energy: -241.848
where: short stacking energy: -93.123
Base-Backbone interact. energy: -0.846
local terms energy: -110.315905
where:
bonds (distance) C4'-P energy: -24.294
bonds (distance) P-C4' energy: -20.406
flat angles C4'-P-C4' energy: -27.307
flat angles P-C4'-P energy: -11.208
tors. eta vs tors. theta energy: -27.101
Dist. restrs. and SS energy: 0.067 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -311.051932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.051932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.425023 (E_RNA)
where:
Base-Base interactions energy: -205.309
where: short stacking energy: -75.445
Base-Backbone interact. energy: 0.285
local terms energy: -106.401522
where:
bonds (distance) C4'-P energy: -21.956
bonds (distance) P-C4' energy: -27.756
flat angles C4'-P-C4' energy: -24.076
flat angles P-C4'-P energy: -16.640
tors. eta vs tors. theta energy: -15.973
Dist. restrs. and SS energy: 0.373 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -332.092175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.092175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.138659 (E_RNA)
where:
Base-Base interactions energy: -226.599
where: short stacking energy: -90.627
Base-Backbone interact. energy: -0.170
local terms energy: -106.369210
where:
bonds (distance) C4'-P energy: -21.998
bonds (distance) P-C4' energy: -15.564
flat angles C4'-P-C4' energy: -29.208
flat angles P-C4'-P energy: -15.316
tors. eta vs tors. theta energy: -24.283
Dist. restrs. and SS energy: 1.046 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -415.480237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.480237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.582749 (E_RNA)
where:
Base-Base interactions energy: -280.123
where: short stacking energy: -118.553
Base-Backbone interact. energy: -0.447
local terms energy: -135.012532
where:
bonds (distance) C4'-P energy: -28.937
bonds (distance) P-C4' energy: -31.113
flat angles C4'-P-C4' energy: -25.843
flat angles P-C4'-P energy: -19.713
tors. eta vs tors. theta energy: -29.407
Dist. restrs. and SS energy: 0.103 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -415.460456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.460456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.543062 (E_RNA)
where:
Base-Base interactions energy: -272.847
where: short stacking energy: -115.903
Base-Backbone interact. energy: -0.760
local terms energy: -141.936104
where:
bonds (distance) C4'-P energy: -25.190
bonds (distance) P-C4' energy: -29.076
flat angles C4'-P-C4' energy: -30.776
flat angles P-C4'-P energy: -21.029
tors. eta vs tors. theta energy: -35.866
Dist. restrs. and SS energy: 0.083 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -403.127125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.127125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.649797 (E_RNA)
where:
Base-Base interactions energy: -273.991
where: short stacking energy: -111.644
Base-Backbone interact. energy: -1.459
local terms energy: -128.199922
where:
bonds (distance) C4'-P energy: -27.435
bonds (distance) P-C4' energy: -28.162
flat angles C4'-P-C4' energy: -26.564
flat angles P-C4'-P energy: -11.891
tors. eta vs tors. theta energy: -34.148
Dist. restrs. and SS energy: 0.523 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -364.573340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.573340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.004255 (E_RNA)
where:
Base-Base interactions energy: -250.994
where: short stacking energy: -95.707
Base-Backbone interact. energy: 0.150
local terms energy: -114.160355
where:
bonds (distance) C4'-P energy: -20.237
bonds (distance) P-C4' energy: -25.644
flat angles C4'-P-C4' energy: -26.203
flat angles P-C4'-P energy: -13.858
tors. eta vs tors. theta energy: -28.217
Dist. restrs. and SS energy: 0.431 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -403.125295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.125295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.364643 (E_RNA)
where:
Base-Base interactions energy: -277.835
where: short stacking energy: -111.439
Base-Backbone interact. energy: -0.498
local terms energy: -125.031552
where:
bonds (distance) C4'-P energy: -25.334
bonds (distance) P-C4' energy: -21.459
flat angles C4'-P-C4' energy: -28.609
flat angles P-C4'-P energy: -19.829
tors. eta vs tors. theta energy: -29.801
Dist. restrs. and SS energy: 0.239 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -360.036158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.036158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.102459 (E_RNA)
where:
Base-Base interactions energy: -234.085
where: short stacking energy: -94.220
Base-Backbone interact. energy: -0.354
local terms energy: -125.664348
where:
bonds (distance) C4'-P energy: -28.386
bonds (distance) P-C4' energy: -25.649
flat angles C4'-P-C4' energy: -26.243
flat angles P-C4'-P energy: -17.935
tors. eta vs tors. theta energy: -27.452
Dist. restrs. and SS energy: 0.066 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -347.483243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.483243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.412103 (E_RNA)
where:
Base-Base interactions energy: -242.008
where: short stacking energy: -102.585
Base-Backbone interact. energy: -0.401
local terms energy: -106.003585
where:
bonds (distance) C4'-P energy: -16.553
bonds (distance) P-C4' energy: -19.447
flat angles C4'-P-C4' energy: -24.224
flat angles P-C4'-P energy: -13.398
tors. eta vs tors. theta energy: -32.382
Dist. restrs. and SS energy: 0.929 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -330.454060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.454060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.843909 (E_RNA)
where:
Base-Base interactions energy: -221.724
where: short stacking energy: -91.178
Base-Backbone interact. energy: -0.634
local terms energy: -108.485817
where:
bonds (distance) C4'-P energy: -23.828
bonds (distance) P-C4' energy: -23.725
flat angles C4'-P-C4' energy: -26.543
flat angles P-C4'-P energy: -10.915
tors. eta vs tors. theta energy: -23.475
Dist. restrs. and SS energy: 0.390 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -320.068627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.068627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.527317 (E_RNA)
where:
Base-Base interactions energy: -212.349
where: short stacking energy: -84.121
Base-Backbone interact. energy: -0.369
local terms energy: -107.809015
where:
bonds (distance) C4'-P energy: -20.440
bonds (distance) P-C4' energy: -23.652
flat angles C4'-P-C4' energy: -23.142
flat angles P-C4'-P energy: -14.132
tors. eta vs tors. theta energy: -26.443
Dist. restrs. and SS energy: 0.459 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -337.541203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.541203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.865233 (E_RNA)
where:
Base-Base interactions energy: -220.267
where: short stacking energy: -81.188
Base-Backbone interact. energy: -0.298
local terms energy: -117.300110
where:
bonds (distance) C4'-P energy: -29.889
bonds (distance) P-C4' energy: -23.941
flat angles C4'-P-C4' energy: -21.874
flat angles P-C4'-P energy: -19.121
tors. eta vs tors. theta energy: -22.475
Dist. restrs. and SS energy: 0.324 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -422.925062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.925062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.018702 (E_RNA)
where:
Base-Base interactions energy: -284.403
where: short stacking energy: -124.809
Base-Backbone interact. energy: -0.590
local terms energy: -138.026010
where:
bonds (distance) C4'-P energy: -28.144
bonds (distance) P-C4' energy: -30.208
flat angles C4'-P-C4' energy: -28.063
flat angles P-C4'-P energy: -14.722
tors. eta vs tors. theta energy: -36.889
Dist. restrs. and SS energy: 0.094 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -408.588250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.588250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.761382 (E_RNA)
where:
Base-Base interactions energy: -277.243
where: short stacking energy: -116.666
Base-Backbone interact. energy: -0.749
local terms energy: -130.769475
where:
bonds (distance) C4'-P energy: -29.232
bonds (distance) P-C4' energy: -27.175
flat angles C4'-P-C4' energy: -23.832
flat angles P-C4'-P energy: -19.599
tors. eta vs tors. theta energy: -30.931
Dist. restrs. and SS energy: 0.173 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -380.514446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.514446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.533005 (E_RNA)
where:
Base-Base interactions energy: -253.008
where: short stacking energy: -97.616
Base-Backbone interact. energy: -0.494
local terms energy: -127.030250
where:
bonds (distance) C4'-P energy: -28.967
bonds (distance) P-C4' energy: -29.720
flat angles C4'-P-C4' energy: -29.009
flat angles P-C4'-P energy: -18.235
tors. eta vs tors. theta energy: -21.099
Dist. restrs. and SS energy: 0.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -381.170276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.170276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.342702 (E_RNA)
where:
Base-Base interactions energy: -257.460
where: short stacking energy: -106.402
Base-Backbone interact. energy: 0.142
local terms energy: -124.025081
where:
bonds (distance) C4'-P energy: -26.011
bonds (distance) P-C4' energy: -27.695
flat angles C4'-P-C4' energy: -30.657
flat angles P-C4'-P energy: -14.952
tors. eta vs tors. theta energy: -24.709
Dist. restrs. and SS energy: 0.172 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -399.461140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.461140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.566547 (E_RNA)
where:
Base-Base interactions energy: -270.841
where: short stacking energy: -106.986
Base-Backbone interact. energy: -0.873
local terms energy: -127.853087
where:
bonds (distance) C4'-P energy: -24.958
bonds (distance) P-C4' energy: -29.378
flat angles C4'-P-C4' energy: -25.560
flat angles P-C4'-P energy: -17.743
tors. eta vs tors. theta energy: -30.215
Dist. restrs. and SS energy: 0.105 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -378.895745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.895745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.983873 (E_RNA)
where:
Base-Base interactions energy: -257.818
where: short stacking energy: -97.686
Base-Backbone interact. energy: -0.586
local terms energy: -120.579422
where:
bonds (distance) C4'-P energy: -23.833
bonds (distance) P-C4' energy: -24.646
flat angles C4'-P-C4' energy: -27.087
flat angles P-C4'-P energy: -16.988
tors. eta vs tors. theta energy: -28.025
Dist. restrs. and SS energy: 0.088 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -334.595199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.595199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.910150 (E_RNA)
where:
Base-Base interactions energy: -222.937
where: short stacking energy: -85.556
Base-Backbone interact. energy: -0.322
local terms energy: -111.651590
where:
bonds (distance) C4'-P energy: -22.109
bonds (distance) P-C4' energy: -21.802
flat angles C4'-P-C4' energy: -31.040
flat angles P-C4'-P energy: -16.523
tors. eta vs tors. theta energy: -20.178
Dist. restrs. and SS energy: 0.315 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -321.686746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.686746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.756921 (E_RNA)
where:
Base-Base interactions energy: -220.090
where: short stacking energy: -83.858
Base-Backbone interact. energy: -0.139
local terms energy: -101.528092
where:
bonds (distance) C4'-P energy: -23.930
bonds (distance) P-C4' energy: -25.390
flat angles C4'-P-C4' energy: -27.105
flat angles P-C4'-P energy: -7.793
tors. eta vs tors. theta energy: -17.309
Dist. restrs. and SS energy: 0.070 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -333.239947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.239947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.534748 (E_RNA)
where:
Base-Base interactions energy: -221.735
where: short stacking energy: -82.979
Base-Backbone interact. energy: -0.140
local terms energy: -111.659535
where:
bonds (distance) C4'-P energy: -19.073
bonds (distance) P-C4' energy: -22.033
flat angles C4'-P-C4' energy: -31.762
flat angles P-C4'-P energy: -10.898
tors. eta vs tors. theta energy: -27.894
Dist. restrs. and SS energy: 0.295 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -301.337478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.337478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.572574 (E_RNA)
where:
Base-Base interactions energy: -191.662
where: short stacking energy: -61.735
Base-Backbone interact. energy: -0.462
local terms energy: -109.448912
where:
bonds (distance) C4'-P energy: -26.811
bonds (distance) P-C4' energy: -27.282
flat angles C4'-P-C4' energy: -21.323
flat angles P-C4'-P energy: -10.404
tors. eta vs tors. theta energy: -23.629
Dist. restrs. and SS energy: 0.235 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -422.562918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.562918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.567500 (E_RNA)
where:
Base-Base interactions energy: -287.471
where: short stacking energy: -110.568
Base-Backbone interact. energy: -2.165
local terms energy: -132.931676
where:
bonds (distance) C4'-P energy: -23.632
bonds (distance) P-C4' energy: -32.173
flat angles C4'-P-C4' energy: -20.721
flat angles P-C4'-P energy: -22.393
tors. eta vs tors. theta energy: -34.014
Dist. restrs. and SS energy: 0.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -412.066710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.066710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.310400 (E_RNA)
where:
Base-Base interactions energy: -278.392
where: short stacking energy: -113.867
Base-Backbone interact. energy: -0.367
local terms energy: -133.551312
where:
bonds (distance) C4'-P energy: -29.918
bonds (distance) P-C4' energy: -26.750
flat angles C4'-P-C4' energy: -25.707
flat angles P-C4'-P energy: -13.852
tors. eta vs tors. theta energy: -37.324
Dist. restrs. and SS energy: 0.244 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -401.890905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.890905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.938801 (E_RNA)
where:
Base-Base interactions energy: -277.385
where: short stacking energy: -108.335
Base-Backbone interact. energy: -0.311
local terms energy: -124.242331
where:
bonds (distance) C4'-P energy: -26.666
bonds (distance) P-C4' energy: -24.982
flat angles C4'-P-C4' energy: -27.226
flat angles P-C4'-P energy: -17.124
tors. eta vs tors. theta energy: -28.245
Dist. restrs. and SS energy: 0.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -399.140005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.140005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.315018 (E_RNA)
where:
Base-Base interactions energy: -270.573
where: short stacking energy: -108.873
Base-Backbone interact. energy: -0.592
local terms energy: -128.150264
where:
bonds (distance) C4'-P energy: -24.725
bonds (distance) P-C4' energy: -23.651
flat angles C4'-P-C4' energy: -27.957
flat angles P-C4'-P energy: -21.414
tors. eta vs tors. theta energy: -30.404
Dist. restrs. and SS energy: 0.175 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -367.152716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.152716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.475959 (E_RNA)
where:
Base-Base interactions energy: -252.760
where: short stacking energy: -97.112
Base-Backbone interact. energy: 2.682
local terms energy: -117.397617
where:
bonds (distance) C4'-P energy: -21.438
bonds (distance) P-C4' energy: -26.185
flat angles C4'-P-C4' energy: -26.537
flat angles P-C4'-P energy: -18.059
tors. eta vs tors. theta energy: -25.179
Dist. restrs. and SS energy: 0.323 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -348.583194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.583194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.175404 (E_RNA)
where:
Base-Base interactions energy: -232.327
where: short stacking energy: -91.442
Base-Backbone interact. energy: -1.075
local terms energy: -115.773982
where:
bonds (distance) C4'-P energy: -24.074
bonds (distance) P-C4' energy: -24.196
flat angles C4'-P-C4' energy: -27.189
flat angles P-C4'-P energy: -17.713
tors. eta vs tors. theta energy: -22.603
Dist. restrs. and SS energy: 0.592 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -347.858053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.858053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.682888 (E_RNA)
where:
Base-Base interactions energy: -241.178
where: short stacking energy: -82.394
Base-Backbone interact. energy: 0.496
local terms energy: -108.000713
where:
bonds (distance) C4'-P energy: -22.338
bonds (distance) P-C4' energy: -26.293
flat angles C4'-P-C4' energy: -26.537
flat angles P-C4'-P energy: -12.791
tors. eta vs tors. theta energy: -20.042
Dist. restrs. and SS energy: 0.825 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -352.894905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.894905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.176738 (E_RNA)
where:
Base-Base interactions energy: -237.525
where: short stacking energy: -94.911
Base-Backbone interact. energy: -0.337
local terms energy: -115.315044
where:
bonds (distance) C4'-P energy: -22.741
bonds (distance) P-C4' energy: -17.439
flat angles C4'-P-C4' energy: -27.422
flat angles P-C4'-P energy: -19.160
tors. eta vs tors. theta energy: -28.553
Dist. restrs. and SS energy: 0.282 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -325.549385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.549385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.717843 (E_RNA)
where:
Base-Base interactions energy: -218.466
where: short stacking energy: -91.632
Base-Backbone interact. energy: -0.264
local terms energy: -106.988584
where:
bonds (distance) C4'-P energy: -19.149
bonds (distance) P-C4' energy: -20.985
flat angles C4'-P-C4' energy: -29.681
flat angles P-C4'-P energy: -8.864
tors. eta vs tors. theta energy: -28.310
Dist. restrs. and SS energy: 0.168 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -308.647554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.647554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.491290 (E_RNA)
where:
Base-Base interactions energy: -204.435
where: short stacking energy: -79.869
Base-Backbone interact. energy: -0.264
local terms energy: -104.792552
where:
bonds (distance) C4'-P energy: -24.590
bonds (distance) P-C4' energy: -21.380
flat angles C4'-P-C4' energy: -25.172
flat angles P-C4'-P energy: -13.778
tors. eta vs tors. theta energy: -19.873
Dist. restrs. and SS energy: 0.844 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -418.097594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.097594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.395790 (E_RNA)
where:
Base-Base interactions energy: -286.015
where: short stacking energy: -114.297
Base-Backbone interact. energy: -0.094
local terms energy: -132.287330
where:
bonds (distance) C4'-P energy: -29.095
bonds (distance) P-C4' energy: -26.760
flat angles C4'-P-C4' energy: -29.543
flat angles P-C4'-P energy: -13.215
tors. eta vs tors. theta energy: -33.674
Dist. restrs. and SS energy: 0.298 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -411.235087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.235087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.255584 (E_RNA)
where:
Base-Base interactions energy: -287.140
where: short stacking energy: -117.123
Base-Backbone interact. energy: -0.821
local terms energy: -123.294283
where:
bonds (distance) C4'-P energy: -27.069
bonds (distance) P-C4' energy: -24.117
flat angles C4'-P-C4' energy: -25.424
flat angles P-C4'-P energy: -13.046
tors. eta vs tors. theta energy: -33.639
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -398.313662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.313662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.315700 (E_RNA)
where:
Base-Base interactions energy: -274.019
where: short stacking energy: -101.445
Base-Backbone interact. energy: -0.834
local terms energy: -123.462969
where:
bonds (distance) C4'-P energy: -26.924
bonds (distance) P-C4' energy: -26.263
flat angles C4'-P-C4' energy: -26.217
flat angles P-C4'-P energy: -13.577
tors. eta vs tors. theta energy: -30.481
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -391.895963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.895963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.052687 (E_RNA)
where:
Base-Base interactions energy: -263.146
where: short stacking energy: -108.024
Base-Backbone interact. energy: -0.426
local terms energy: -128.481052
where:
bonds (distance) C4'-P energy: -29.777
bonds (distance) P-C4' energy: -22.394
flat angles C4'-P-C4' energy: -25.889
flat angles P-C4'-P energy: -18.301
tors. eta vs tors. theta energy: -32.121
Dist. restrs. and SS energy: 0.157 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -367.349757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.349757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.672742 (E_RNA)
where:
Base-Base interactions energy: -237.301
where: short stacking energy: -109.872
Base-Backbone interact. energy: -0.245
local terms energy: -130.127074
where:
bonds (distance) C4'-P energy: -28.780
bonds (distance) P-C4' energy: -29.622
flat angles C4'-P-C4' energy: -27.937
flat angles P-C4'-P energy: -12.203
tors. eta vs tors. theta energy: -31.585
Dist. restrs. and SS energy: 0.323 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -354.746649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.746649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.077401 (E_RNA)
where:
Base-Base interactions energy: -244.762
where: short stacking energy: -104.204
Base-Backbone interact. energy: -0.115
local terms energy: -110.200278
where:
bonds (distance) C4'-P energy: -18.632
bonds (distance) P-C4' energy: -22.005
flat angles C4'-P-C4' energy: -23.050
flat angles P-C4'-P energy: -15.882
tors. eta vs tors. theta energy: -30.631
Dist. restrs. and SS energy: 0.331 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -348.182105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.182105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.690186 (E_RNA)
where:
Base-Base interactions energy: -237.213
where: short stacking energy: -93.079
Base-Backbone interact. energy: -0.162
local terms energy: -111.315737
where:
bonds (distance) C4'-P energy: -21.059
bonds (distance) P-C4' energy: -27.980
flat angles C4'-P-C4' energy: -27.355
flat angles P-C4'-P energy: -9.004
tors. eta vs tors. theta energy: -25.918
Dist. restrs. and SS energy: 0.508 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -360.628719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.628719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.228474 (E_RNA)
where:
Base-Base interactions energy: -246.082
where: short stacking energy: -91.332
Base-Backbone interact. energy: -0.586
local terms energy: -114.560164
where:
bonds (distance) C4'-P energy: -20.110
bonds (distance) P-C4' energy: -19.331
flat angles C4'-P-C4' energy: -26.572
flat angles P-C4'-P energy: -22.371
tors. eta vs tors. theta energy: -26.175
Dist. restrs. and SS energy: 0.600 (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: 34
Temperature: 1.300000
Total energy: -312.089259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.089259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.120533 (E_RNA)
where:
Base-Base interactions energy: -196.561
where: short stacking energy: -70.085
Base-Backbone interact. energy: -0.201
local terms energy: -115.358807
where:
bonds (distance) C4'-P energy: -23.476
bonds (distance) P-C4' energy: -28.935
flat angles C4'-P-C4' energy: -21.643
flat angles P-C4'-P energy: -22.567
tors. eta vs tors. theta energy: -18.738
Dist. restrs. and SS energy: 0.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -311.105765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.105765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.252844 (E_RNA)
where:
Base-Base interactions energy: -204.869
where: short stacking energy: -72.130
Base-Backbone interact. energy: 0.438
local terms energy: -106.821788
where:
bonds (distance) C4'-P energy: -24.825
bonds (distance) P-C4' energy: -29.970
flat angles C4'-P-C4' energy: -20.730
flat angles P-C4'-P energy: -10.006
tors. eta vs tors. theta energy: -21.290
Dist. restrs. and SS energy: 0.147 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -424.367061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.367061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.502583 (E_RNA)
where:
Base-Base interactions energy: -279.888
where: short stacking energy: -114.794
Base-Backbone interact. energy: 0.715
local terms energy: -145.329539
where:
bonds (distance) C4'-P energy: -28.679
bonds (distance) P-C4' energy: -30.328
flat angles C4'-P-C4' energy: -31.182
flat angles P-C4'-P energy: -19.553
tors. eta vs tors. theta energy: -35.588
Dist. restrs. and SS energy: 0.136 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -415.819645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.819645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.122030 (E_RNA)
where:
Base-Base interactions energy: -289.907
where: short stacking energy: -115.844
Base-Backbone interact. energy: -0.915
local terms energy: -125.299647
where:
bonds (distance) C4'-P energy: -24.700
bonds (distance) P-C4' energy: -24.248
flat angles C4'-P-C4' energy: -31.060
flat angles P-C4'-P energy: -17.119
tors. eta vs tors. theta energy: -28.173
Dist. restrs. and SS energy: 0.302 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -410.983202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.983202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.151828 (E_RNA)
where:
Base-Base interactions energy: -277.679
where: short stacking energy: -114.993
Base-Backbone interact. energy: 2.848
local terms energy: -136.320743
where:
bonds (distance) C4'-P energy: -28.649
bonds (distance) P-C4' energy: -29.573
flat angles C4'-P-C4' energy: -29.483
flat angles P-C4'-P energy: -15.312
tors. eta vs tors. theta energy: -33.303
Dist. restrs. and SS energy: 0.169 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -380.740804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.740804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.744206 (E_RNA)
where:
Base-Base interactions energy: -254.605
where: short stacking energy: -107.102
Base-Backbone interact. energy: 0.845
local terms energy: -126.984602
where:
bonds (distance) C4'-P energy: -26.090
bonds (distance) P-C4' energy: -25.953
flat angles C4'-P-C4' energy: -28.689
flat angles P-C4'-P energy: -19.302
tors. eta vs tors. theta energy: -26.951
Dist. restrs. and SS energy: 0.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -391.127528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.127528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.401689 (E_RNA)
where:
Base-Base interactions energy: -264.931
where: short stacking energy: -100.493
Base-Backbone interact. energy: -0.492
local terms energy: -125.978947
where:
bonds (distance) C4'-P energy: -26.635
bonds (distance) P-C4' energy: -24.145
flat angles C4'-P-C4' energy: -27.870
flat angles P-C4'-P energy: -18.905
tors. eta vs tors. theta energy: -28.423
Dist. restrs. and SS energy: 0.274 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -359.546980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.546980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.620503 (E_RNA)
where:
Base-Base interactions energy: -247.826
where: short stacking energy: -104.319
Base-Backbone interact. energy: 2.208
local terms energy: -114.003141
where:
bonds (distance) C4'-P energy: -22.626
bonds (distance) P-C4' energy: -21.886
flat angles C4'-P-C4' energy: -26.997
flat angles P-C4'-P energy: -15.833
tors. eta vs tors. theta energy: -26.662
Dist. restrs. and SS energy: 0.074 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -355.214590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.214590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.430404 (E_RNA)
where:
Base-Base interactions energy: -240.987
where: short stacking energy: -100.481
Base-Backbone interact. energy: -0.260
local terms energy: -114.183149
where:
bonds (distance) C4'-P energy: -15.245
bonds (distance) P-C4' energy: -25.446
flat angles C4'-P-C4' energy: -29.987
flat angles P-C4'-P energy: -15.853
tors. eta vs tors. theta energy: -27.653
Dist. restrs. and SS energy: 0.216 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -343.517901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.517901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.208341 (E_RNA)
where:
Base-Base interactions energy: -225.778
where: short stacking energy: -85.605
Base-Backbone interact. energy: 0.643
local terms energy: -119.072685
where:
bonds (distance) C4'-P energy: -23.133
bonds (distance) P-C4' energy: -30.912
flat angles C4'-P-C4' energy: -30.026
flat angles P-C4'-P energy: -12.925
tors. eta vs tors. theta energy: -22.077
Dist. restrs. and SS energy: 0.690 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -316.098718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.098718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.214621 (E_RNA)
where:
Base-Base interactions energy: -233.160
where: short stacking energy: -89.237
Base-Backbone interact. energy: 1.167
local terms energy: -84.221636
where:
bonds (distance) C4'-P energy: -12.949
bonds (distance) P-C4' energy: -17.984
flat angles C4'-P-C4' energy: -23.313
flat angles P-C4'-P energy: -12.513
tors. eta vs tors. theta energy: -17.462
Dist. restrs. and SS energy: 0.116 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -301.725020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.725020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.185578 (E_RNA)
where:
Base-Base interactions energy: -211.614
where: short stacking energy: -73.212
Base-Backbone interact. energy: -0.136
local terms energy: -90.435679
where:
bonds (distance) C4'-P energy: -24.126
bonds (distance) P-C4' energy: -21.231
flat angles C4'-P-C4' energy: -15.088
flat angles P-C4'-P energy: -14.146
tors. eta vs tors. theta energy: -15.845
Dist. restrs. and SS energy: 0.461 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -422.338528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.338528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.824525 (E_RNA)
where:
Base-Base interactions energy: -291.921
where: short stacking energy: -108.731
Base-Backbone interact. energy: -0.782
local terms energy: -130.121646
where:
bonds (distance) C4'-P energy: -27.139
bonds (distance) P-C4' energy: -25.403
flat angles C4'-P-C4' energy: -26.726
flat angles P-C4'-P energy: -19.399
tors. eta vs tors. theta energy: -31.454
Dist. restrs. and SS energy: 0.486 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -420.792802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.792802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.794177 (E_RNA)
where:
Base-Base interactions energy: -299.091
where: short stacking energy: -105.678
Base-Backbone interact. energy: -0.843
local terms energy: -120.859448
where:
bonds (distance) C4'-P energy: -22.421
bonds (distance) P-C4' energy: -25.962
flat angles C4'-P-C4' energy: -26.697
flat angles P-C4'-P energy: -14.339
tors. eta vs tors. theta energy: -31.439
Dist. restrs. and SS energy: 0.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -396.729079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.729079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.129225 (E_RNA)
where:
Base-Base interactions energy: -263.977
where: short stacking energy: -105.985
Base-Backbone interact. energy: -0.604
local terms energy: -132.548363
where:
bonds (distance) C4'-P energy: -25.687
bonds (distance) P-C4' energy: -30.366
flat angles C4'-P-C4' energy: -31.215
flat angles P-C4'-P energy: -17.310
tors. eta vs tors. theta energy: -27.971
Dist. restrs. and SS energy: 0.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -374.329326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.329326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.641613 (E_RNA)
where:
Base-Base interactions energy: -246.187
where: short stacking energy: -97.321
Base-Backbone interact. energy: 0.817
local terms energy: -129.271561
where:
bonds (distance) C4'-P energy: -25.123
bonds (distance) P-C4' energy: -27.036
flat angles C4'-P-C4' energy: -30.801
flat angles P-C4'-P energy: -15.704
tors. eta vs tors. theta energy: -30.607
Dist. restrs. and SS energy: 0.312 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -357.540391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.540391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.602091 (E_RNA)
where:
Base-Base interactions energy: -235.088
where: short stacking energy: -89.250
Base-Backbone interact. energy: 1.541
local terms energy: -124.055117
where:
bonds (distance) C4'-P energy: -27.628
bonds (distance) P-C4' energy: -29.397
flat angles C4'-P-C4' energy: -24.912
flat angles P-C4'-P energy: -14.271
tors. eta vs tors. theta energy: -27.847
Dist. restrs. and SS energy: 0.062 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -380.300584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.300584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.463473 (E_RNA)
where:
Base-Base interactions energy: -260.229
where: short stacking energy: -104.286
Base-Backbone interact. energy: -0.248
local terms energy: -119.986556
where:
bonds (distance) C4'-P energy: -21.371
bonds (distance) P-C4' energy: -27.834
flat angles C4'-P-C4' energy: -23.122
flat angles P-C4'-P energy: -23.290
tors. eta vs tors. theta energy: -24.370
Dist. restrs. and SS energy: 0.163 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -359.337880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.337880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.761778 (E_RNA)
where:
Base-Base interactions energy: -240.908
where: short stacking energy: -98.075
Base-Backbone interact. energy: -0.325
local terms energy: -118.528598
where:
bonds (distance) C4'-P energy: -20.848
bonds (distance) P-C4' energy: -28.889
flat angles C4'-P-C4' energy: -30.385
flat angles P-C4'-P energy: -10.335
tors. eta vs tors. theta energy: -28.071
Dist. restrs. and SS energy: 0.424 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -358.148207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.148207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.709742 (E_RNA)
where:
Base-Base interactions energy: -234.951
where: short stacking energy: -96.962
Base-Backbone interact. energy: -0.086
local terms energy: -123.672032
where:
bonds (distance) C4'-P energy: -25.273
bonds (distance) P-C4' energy: -22.245
flat angles C4'-P-C4' energy: -28.612
flat angles P-C4'-P energy: -15.046
tors. eta vs tors. theta energy: -32.497
Dist. restrs. and SS energy: 0.562 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -322.950752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.950752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.760345 (E_RNA)
where:
Base-Base interactions energy: -208.919
where: short stacking energy: -85.951
Base-Backbone interact. energy: 0.967
local terms energy: -115.808816
where:
bonds (distance) C4'-P energy: -24.622
bonds (distance) P-C4' energy: -22.654
flat angles C4'-P-C4' energy: -27.343
flat angles P-C4'-P energy: -16.289
tors. eta vs tors. theta energy: -24.901
Dist. restrs. and SS energy: 0.810 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -332.683559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.683559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.098972 (E_RNA)
where:
Base-Base interactions energy: -221.038
where: short stacking energy: -88.156
Base-Backbone interact. energy: 0.382
local terms energy: -112.442924
where:
bonds (distance) C4'-P energy: -21.890
bonds (distance) P-C4' energy: -28.637
flat angles C4'-P-C4' energy: -22.832
flat angles P-C4'-P energy: -15.109
tors. eta vs tors. theta energy: -23.975
Dist. restrs. and SS energy: 0.415 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -431.034838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.034838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.390951 (E_RNA)
where:
Base-Base interactions energy: -293.103
where: short stacking energy: -127.924
Base-Backbone interact. energy: -0.934
local terms energy: -137.354321
where:
bonds (distance) C4'-P energy: -27.959
bonds (distance) P-C4' energy: -20.926
flat angles C4'-P-C4' energy: -28.745
flat angles P-C4'-P energy: -24.178
tors. eta vs tors. theta energy: -35.546
Dist. restrs. and SS energy: 0.356 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -416.990918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.990918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.218067 (E_RNA)
where:
Base-Base interactions energy: -298.141
where: short stacking energy: -116.720
Base-Backbone interact. energy: -0.281
local terms energy: -118.796649
where:
bonds (distance) C4'-P energy: -16.824
bonds (distance) P-C4' energy: -26.993
flat angles C4'-P-C4' energy: -27.430
flat angles P-C4'-P energy: -15.174
tors. eta vs tors. theta energy: -32.377
Dist. restrs. and SS energy: 0.227 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -395.889100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.889100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.952641 (E_RNA)
where:
Base-Base interactions energy: -267.980
where: short stacking energy: -121.349
Base-Backbone interact. energy: -0.112
local terms energy: -127.860872
where:
bonds (distance) C4'-P energy: -23.025
bonds (distance) P-C4' energy: -24.963
flat angles C4'-P-C4' energy: -30.173
flat angles P-C4'-P energy: -16.438
tors. eta vs tors. theta energy: -33.261
Dist. restrs. and SS energy: 0.064 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -375.322367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.322367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.540548 (E_RNA)
where:
Base-Base interactions energy: -247.295
where: short stacking energy: -104.787
Base-Backbone interact. energy: -0.466
local terms energy: -127.779540
where:
bonds (distance) C4'-P energy: -21.405
bonds (distance) P-C4' energy: -25.053
flat angles C4'-P-C4' energy: -28.379
flat angles P-C4'-P energy: -19.708
tors. eta vs tors. theta energy: -33.235
Dist. restrs. and SS energy: 0.218 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -376.688539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.688539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.037625 (E_RNA)
where:
Base-Base interactions energy: -253.089
where: short stacking energy: -101.789
Base-Backbone interact. energy: 0.016
local terms energy: -123.964767
where:
bonds (distance) C4'-P energy: -22.914
bonds (distance) P-C4' energy: -23.176
flat angles C4'-P-C4' energy: -25.331
flat angles P-C4'-P energy: -21.278
tors. eta vs tors. theta energy: -31.266
Dist. restrs. and SS energy: 0.349 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -376.803580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.803580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.440836 (E_RNA)
where:
Base-Base interactions energy: -257.053
where: short stacking energy: -94.739
Base-Backbone interact. energy: -0.955
local terms energy: -119.433404
where:
bonds (distance) C4'-P energy: -26.233
bonds (distance) P-C4' energy: -23.744
flat angles C4'-P-C4' energy: -20.423
flat angles P-C4'-P energy: -20.472
tors. eta vs tors. theta energy: -28.562
Dist. restrs. and SS energy: 0.637 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -356.583653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.583653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.871377 (E_RNA)
where:
Base-Base interactions energy: -250.210
where: short stacking energy: -96.961
Base-Backbone interact. energy: -0.496
local terms energy: -106.165508
where:
bonds (distance) C4'-P energy: -16.287
bonds (distance) P-C4' energy: -21.421
flat angles C4'-P-C4' energy: -26.427
flat angles P-C4'-P energy: -12.936
tors. eta vs tors. theta energy: -29.095
Dist. restrs. and SS energy: 0.288 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -324.617940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.617940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.060077 (E_RNA)
where:
Base-Base interactions energy: -218.237
where: short stacking energy: -83.524
Base-Backbone interact. energy: -0.818
local terms energy: -106.004366
where:
bonds (distance) C4'-P energy: -23.796
bonds (distance) P-C4' energy: -26.122
flat angles C4'-P-C4' energy: -20.443
flat angles P-C4'-P energy: -17.942
tors. eta vs tors. theta energy: -17.702
Dist. restrs. and SS energy: 0.442 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -332.859017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.859017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.110732 (E_RNA)
where:
Base-Base interactions energy: -226.218
where: short stacking energy: -90.939
Base-Backbone interact. energy: 0.706
local terms energy: -107.598822
where:
bonds (distance) C4'-P energy: -24.213
bonds (distance) P-C4' energy: -20.127
flat angles C4'-P-C4' energy: -27.186
flat angles P-C4'-P energy: -14.045
tors. eta vs tors. theta energy: -22.028
Dist. restrs. and SS energy: 0.252 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -314.087720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.087720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.210435 (E_RNA)
where:
Base-Base interactions energy: -207.357
where: short stacking energy: -64.212
Base-Backbone interact. energy: -0.446
local terms energy: -106.406685
where:
bonds (distance) C4'-P energy: -21.169
bonds (distance) P-C4' energy: -25.423
flat angles C4'-P-C4' energy: -28.081
flat angles P-C4'-P energy: -10.990
tors. eta vs tors. theta energy: -20.742
Dist. restrs. and SS energy: 0.123 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -425.146169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.146169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.303768 (E_RNA)
where:
Base-Base interactions energy: -289.737
where: short stacking energy: -113.793
Base-Backbone interact. energy: -0.747
local terms energy: -134.820416
where:
bonds (distance) C4'-P energy: -27.310
bonds (distance) P-C4' energy: -31.005
flat angles C4'-P-C4' energy: -28.044
flat angles P-C4'-P energy: -18.985
tors. eta vs tors. theta energy: -29.477
Dist. restrs. and SS energy: 0.158 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -417.254121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.254121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.452709 (E_RNA)
where:
Base-Base interactions energy: -286.055
where: short stacking energy: -113.318
Base-Backbone interact. energy: -0.557
local terms energy: -130.840449
where:
bonds (distance) C4'-P energy: -25.616
bonds (distance) P-C4' energy: -28.046
flat angles C4'-P-C4' energy: -28.846
flat angles P-C4'-P energy: -14.693
tors. eta vs tors. theta energy: -33.639
Dist. restrs. and SS energy: 0.199 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -378.184662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.184662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.629700 (E_RNA)
where:
Base-Base interactions energy: -245.956
where: short stacking energy: -104.394
Base-Backbone interact. energy: -0.265
local terms energy: -132.408902
where:
bonds (distance) C4'-P energy: -23.434
bonds (distance) P-C4' energy: -25.765
flat angles C4'-P-C4' energy: -30.974
flat angles P-C4'-P energy: -20.844
tors. eta vs tors. theta energy: -31.392
Dist. restrs. and SS energy: 0.445 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -393.896836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.896836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.239837 (E_RNA)
where:
Base-Base interactions energy: -276.552
where: short stacking energy: -119.317
Base-Backbone interact. energy: -0.714
local terms energy: -116.974235
where:
bonds (distance) C4'-P energy: -26.132
bonds (distance) P-C4' energy: -15.236
flat angles C4'-P-C4' energy: -25.238
flat angles P-C4'-P energy: -18.930
tors. eta vs tors. theta energy: -31.438
Dist. restrs. and SS energy: 0.343 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -371.930948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.930948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.160169 (E_RNA)
where:
Base-Base interactions energy: -253.747
where: short stacking energy: -105.506
Base-Backbone interact. energy: 0.116
local terms energy: -118.529182
where:
bonds (distance) C4'-P energy: -22.356
bonds (distance) P-C4' energy: -26.953
flat angles C4'-P-C4' energy: -15.512
flat angles P-C4'-P energy: -19.716
tors. eta vs tors. theta energy: -33.992
Dist. restrs. and SS energy: 0.229 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -362.487127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.487127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.223735 (E_RNA)
where:
Base-Base interactions energy: -241.275
where: short stacking energy: -101.577
Base-Backbone interact. energy: -0.126
local terms energy: -121.822219
where:
bonds (distance) C4'-P energy: -25.996
bonds (distance) P-C4' energy: -32.169
flat angles C4'-P-C4' energy: -24.967
flat angles P-C4'-P energy: -10.465
tors. eta vs tors. theta energy: -28.225
Dist. restrs. and SS energy: 0.737 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -373.489953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.489953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.592082 (E_RNA)
where:
Base-Base interactions energy: -260.673
where: short stacking energy: -105.603
Base-Backbone interact. energy: -0.299
local terms energy: -112.619773
where:
bonds (distance) C4'-P energy: -19.111
bonds (distance) P-C4' energy: -21.710
flat angles C4'-P-C4' energy: -31.518
flat angles P-C4'-P energy: -12.830
tors. eta vs tors. theta energy: -27.450
Dist. restrs. and SS energy: 0.102 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -327.618219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.618219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.879019 (E_RNA)
where:
Base-Base interactions energy: -220.848
where: short stacking energy: -84.740
Base-Backbone interact. energy: 1.157
local terms energy: -108.188067
where:
bonds (distance) C4'-P energy: -28.928
bonds (distance) P-C4' energy: -21.203
flat angles C4'-P-C4' energy: -22.646
flat angles P-C4'-P energy: -16.946
tors. eta vs tors. theta energy: -18.464
Dist. restrs. and SS energy: 0.261 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -330.479613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.479613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.614734 (E_RNA)
where:
Base-Base interactions energy: -223.152
where: short stacking energy: -91.977
Base-Backbone interact. energy: 0.670
local terms energy: -108.133374
where:
bonds (distance) C4'-P energy: -23.264
bonds (distance) P-C4' energy: -28.583
flat angles C4'-P-C4' energy: -21.657
flat angles P-C4'-P energy: -15.854
tors. eta vs tors. theta energy: -18.776
Dist. restrs. and SS energy: 0.135 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -302.831690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.831690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.320230 (E_RNA)
where:
Base-Base interactions energy: -204.766
where: short stacking energy: -77.047
Base-Backbone interact. energy: -0.874
local terms energy: -97.679870
where:
bonds (distance) C4'-P energy: -23.165
bonds (distance) P-C4' energy: -21.979
flat angles C4'-P-C4' energy: -23.278
flat angles P-C4'-P energy: -15.025
tors. eta vs tors. theta energy: -14.233
Dist. restrs. and SS energy: 0.489 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -421.816768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.816768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.043407 (E_RNA)
where:
Base-Base interactions energy: -289.520
where: short stacking energy: -121.739
Base-Backbone interact. energy: -1.571
local terms energy: -130.952003
where:
bonds (distance) C4'-P energy: -28.341
bonds (distance) P-C4' energy: -27.459
flat angles C4'-P-C4' energy: -27.109
flat angles P-C4'-P energy: -21.426
tors. eta vs tors. theta energy: -26.617
Dist. restrs. and SS energy: 0.227 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -413.993297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.993297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.116338 (E_RNA)
where:
Base-Base interactions energy: -274.651
where: short stacking energy: -118.090
Base-Backbone interact. energy: -1.370
local terms energy: -138.095313
where:
bonds (distance) C4'-P energy: -24.817
bonds (distance) P-C4' energy: -31.381
flat angles C4'-P-C4' energy: -28.706
flat angles P-C4'-P energy: -19.766
tors. eta vs tors. theta energy: -33.425
Dist. restrs. and SS energy: 0.123 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -384.835614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.835614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.061149 (E_RNA)
where:
Base-Base interactions energy: -260.682
where: short stacking energy: -112.089
Base-Backbone interact. energy: -0.549
local terms energy: -123.830173
where:
bonds (distance) C4'-P energy: -25.656
bonds (distance) P-C4' energy: -26.243
flat angles C4'-P-C4' energy: -25.630
flat angles P-C4'-P energy: -19.742
tors. eta vs tors. theta energy: -26.559
Dist. restrs. and SS energy: 0.226 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -388.656691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.656691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.767085 (E_RNA)
where:
Base-Base interactions energy: -269.297
where: short stacking energy: -105.789
Base-Backbone interact. energy: -0.253
local terms energy: -119.217451
where:
bonds (distance) C4'-P energy: -26.864
bonds (distance) P-C4' energy: -23.150
flat angles C4'-P-C4' energy: -29.223
flat angles P-C4'-P energy: -12.556
tors. eta vs tors. theta energy: -27.426
Dist. restrs. and SS energy: 0.110 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -374.054657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.054657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.098205 (E_RNA)
where:
Base-Base interactions energy: -253.172
where: short stacking energy: -101.902
Base-Backbone interact. energy: -0.335
local terms energy: -120.590824
where:
bonds (distance) C4'-P energy: -28.804
bonds (distance) P-C4' energy: -28.480
flat angles C4'-P-C4' energy: -21.887
flat angles P-C4'-P energy: -10.228
tors. eta vs tors. theta energy: -31.192
Dist. restrs. and SS energy: 0.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -344.216511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.216511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.803038 (E_RNA)
where:
Base-Base interactions energy: -227.354
where: short stacking energy: -98.609
Base-Backbone interact. energy: 0.554
local terms energy: -118.002728
where:
bonds (distance) C4'-P energy: -22.787
bonds (distance) P-C4' energy: -23.283
flat angles C4'-P-C4' energy: -30.996
flat angles P-C4'-P energy: -16.834
tors. eta vs tors. theta energy: -24.103
Dist. restrs. and SS energy: 0.587 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -355.315272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.315272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.533523 (E_RNA)
where:
Base-Base interactions energy: -247.910
where: short stacking energy: -88.059
Base-Backbone interact. energy: -1.455
local terms energy: -106.168071
where:
bonds (distance) C4'-P energy: -14.100
bonds (distance) P-C4' energy: -24.890
flat angles C4'-P-C4' energy: -27.210
flat angles P-C4'-P energy: -14.213
tors. eta vs tors. theta energy: -25.756
Dist. restrs. and SS energy: 0.218 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -321.593260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.593260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.444309 (E_RNA)
where:
Base-Base interactions energy: -214.181
where: short stacking energy: -80.925
Base-Backbone interact. energy: -0.379
local terms energy: -107.883637
where:
bonds (distance) C4'-P energy: -23.720
bonds (distance) P-C4' energy: -25.147
flat angles C4'-P-C4' energy: -26.118
flat angles P-C4'-P energy: -12.960
tors. eta vs tors. theta energy: -19.939
Dist. restrs. and SS energy: 0.851 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -319.298787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.298787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.112757 (E_RNA)
where:
Base-Base interactions energy: -212.613
where: short stacking energy: -92.058
Base-Backbone interact. energy: 0.568
local terms energy: -108.068082
where:
bonds (distance) C4'-P energy: -23.775
bonds (distance) P-C4' energy: -23.578
flat angles C4'-P-C4' energy: -23.000
flat angles P-C4'-P energy: -21.067
tors. eta vs tors. theta energy: -16.648
Dist. restrs. and SS energy: 0.814 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -319.742078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.742078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.010687 (E_RNA)
where:
Base-Base interactions energy: -213.299
where: short stacking energy: -81.890
Base-Backbone interact. energy: -0.710
local terms energy: -106.000909
where:
bonds (distance) C4'-P energy: -24.681
bonds (distance) P-C4' energy: -24.245
flat angles C4'-P-C4' energy: -24.399
flat angles P-C4'-P energy: -14.368
tors. eta vs tors. theta energy: -18.308
Dist. restrs. and SS energy: 0.269 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -419.247785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.247785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.305850 (E_RNA)
where:
Base-Base interactions energy: -284.676
where: short stacking energy: -118.083
Base-Backbone interact. energy: -0.355
local terms energy: -134.274695
where:
bonds (distance) C4'-P energy: -27.115
bonds (distance) P-C4' energy: -27.085
flat angles C4'-P-C4' energy: -30.262
flat angles P-C4'-P energy: -15.953
tors. eta vs tors. theta energy: -33.860
Dist. restrs. and SS energy: 0.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -416.418328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.418328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.549768 (E_RNA)
where:
Base-Base interactions energy: -291.124
where: short stacking energy: -111.791
Base-Backbone interact. energy: 0.984
local terms energy: -126.410410
where:
bonds (distance) C4'-P energy: -24.996
bonds (distance) P-C4' energy: -27.862
flat angles C4'-P-C4' energy: -27.598
flat angles P-C4'-P energy: -18.729
tors. eta vs tors. theta energy: -27.225
Dist. restrs. and SS energy: 0.131 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -403.213792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.213792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.286164 (E_RNA)
where:
Base-Base interactions energy: -274.439
where: short stacking energy: -122.951
Base-Backbone interact. energy: -0.342
local terms energy: -128.504542
where:
bonds (distance) C4'-P energy: -22.529
bonds (distance) P-C4' energy: -28.750
flat angles C4'-P-C4' energy: -30.118
flat angles P-C4'-P energy: -14.275
tors. eta vs tors. theta energy: -32.834
Dist. restrs. and SS energy: 0.072 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -385.023163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.023163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.428633 (E_RNA)
where:
Base-Base interactions energy: -258.421
where: short stacking energy: -112.389
Base-Backbone interact. energy: -0.220
local terms energy: -126.787340
where:
bonds (distance) C4'-P energy: -24.018
bonds (distance) P-C4' energy: -24.710
flat angles C4'-P-C4' energy: -31.193
flat angles P-C4'-P energy: -16.977
tors. eta vs tors. theta energy: -29.890
Dist. restrs. and SS energy: 0.405 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -364.007664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.007664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.132646 (E_RNA)
where:
Base-Base interactions energy: -233.483
where: short stacking energy: -98.112
Base-Backbone interact. energy: -0.122
local terms energy: -130.527878
where:
bonds (distance) C4'-P energy: -25.498
bonds (distance) P-C4' energy: -23.122
flat angles C4'-P-C4' energy: -31.942
flat angles P-C4'-P energy: -24.572
tors. eta vs tors. theta energy: -25.394
Dist. restrs. and SS energy: 0.125 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -360.064274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.064274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.265289 (E_RNA)
where:
Base-Base interactions energy: -243.153
where: short stacking energy: -96.193
Base-Backbone interact. energy: -1.454
local terms energy: -115.658569
where:
bonds (distance) C4'-P energy: -21.724
bonds (distance) P-C4' energy: -22.441
flat angles C4'-P-C4' energy: -21.881
flat angles P-C4'-P energy: -22.888
tors. eta vs tors. theta energy: -26.724
Dist. restrs. and SS energy: 0.201 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -346.811444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.811444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.951922 (E_RNA)
where:
Base-Base interactions energy: -228.599
where: short stacking energy: -89.966
Base-Backbone interact. energy: 0.377
local terms energy: -118.730291
where:
bonds (distance) C4'-P energy: -24.731
bonds (distance) P-C4' energy: -23.957
flat angles C4'-P-C4' energy: -26.497
flat angles P-C4'-P energy: -22.479
tors. eta vs tors. theta energy: -21.066
Dist. restrs. and SS energy: 0.140 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -334.771052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.771052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.019330 (E_RNA)
where:
Base-Base interactions energy: -222.043
where: short stacking energy: -84.223
Base-Backbone interact. energy: -0.600
local terms energy: -112.375891
where:
bonds (distance) C4'-P energy: -20.797
bonds (distance) P-C4' energy: -27.886
flat angles C4'-P-C4' energy: -21.939
flat angles P-C4'-P energy: -14.900
tors. eta vs tors. theta energy: -26.854
Dist. restrs. and SS energy: 0.248 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -329.617318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.617318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.103243 (E_RNA)
where:
Base-Base interactions energy: -226.427
where: short stacking energy: -93.738
Base-Backbone interact. energy: -1.924
local terms energy: -101.751753
where:
bonds (distance) C4'-P energy: -25.793
bonds (distance) P-C4' energy: -18.075
flat angles C4'-P-C4' energy: -20.807
flat angles P-C4'-P energy: -14.951
tors. eta vs tors. theta energy: -22.126
Dist. restrs. and SS energy: 0.486 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -321.995019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.995019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.481277 (E_RNA)
where:
Base-Base interactions energy: -214.421
where: short stacking energy: -86.946
Base-Backbone interact. energy: -0.241
local terms energy: -107.818970
where:
bonds (distance) C4'-P energy: -19.881
bonds (distance) P-C4' energy: -20.367
flat angles C4'-P-C4' energy: -30.276
flat angles P-C4'-P energy: -15.364
tors. eta vs tors. theta energy: -21.931
Dist. restrs. and SS energy: 0.486 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -427.284281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.284281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.731269 (E_RNA)
where:
Base-Base interactions energy: -274.821
where: short stacking energy: -108.271
Base-Backbone interact. energy: -0.499
local terms energy: -152.410905
where:
bonds (distance) C4'-P energy: -30.989
bonds (distance) P-C4' energy: -29.902
flat angles C4'-P-C4' energy: -30.782
flat angles P-C4'-P energy: -23.287
tors. eta vs tors. theta energy: -37.451
Dist. restrs. and SS energy: 0.447 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -422.908037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.908037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.944245 (E_RNA)
where:
Base-Base interactions energy: -288.361
where: short stacking energy: -116.072
Base-Backbone interact. energy: -0.192
local terms energy: -134.390753
where:
bonds (distance) C4'-P energy: -27.246
bonds (distance) P-C4' energy: -23.243
flat angles C4'-P-C4' energy: -31.491
flat angles P-C4'-P energy: -21.564
tors. eta vs tors. theta energy: -30.847
Dist. restrs. and SS energy: 0.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -398.244391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.244391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.306839 (E_RNA)
where:
Base-Base interactions energy: -263.104
where: short stacking energy: -103.321
Base-Backbone interact. energy: -1.117
local terms energy: -134.086117
where:
bonds (distance) C4'-P energy: -26.279
bonds (distance) P-C4' energy: -29.581
flat angles C4'-P-C4' energy: -29.263
flat angles P-C4'-P energy: -18.230
tors. eta vs tors. theta energy: -30.732
Dist. restrs. and SS energy: 0.062 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -387.248082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.248082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.396206 (E_RNA)
where:
Base-Base interactions energy: -255.929
where: short stacking energy: -110.352
Base-Backbone interact. energy: -0.260
local terms energy: -131.207370
where:
bonds (distance) C4'-P energy: -29.243
bonds (distance) P-C4' energy: -25.392
flat angles C4'-P-C4' energy: -28.546
flat angles P-C4'-P energy: -20.753
tors. eta vs tors. theta energy: -27.272
Dist. restrs. and SS energy: 0.148 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -377.634767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.634767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.436038 (E_RNA)
where:
Base-Base interactions energy: -246.933
where: short stacking energy: -107.919
Base-Backbone interact. energy: 0.749
local terms energy: -132.251344
where:
bonds (distance) C4'-P energy: -24.474
bonds (distance) P-C4' energy: -26.299
flat angles C4'-P-C4' energy: -26.738
flat angles P-C4'-P energy: -20.984
tors. eta vs tors. theta energy: -33.756
Dist. restrs. and SS energy: 0.801 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -386.598800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.598800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.060167 (E_RNA)
where:
Base-Base interactions energy: -271.460
where: short stacking energy: -106.217
Base-Backbone interact. energy: -0.167
local terms energy: -115.433785
where:
bonds (distance) C4'-P energy: -18.131
bonds (distance) P-C4' energy: -27.540
flat angles C4'-P-C4' energy: -23.789
flat angles P-C4'-P energy: -17.459
tors. eta vs tors. theta energy: -28.516
Dist. restrs. and SS energy: 0.461 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -337.116302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.116302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.130262 (E_RNA)
where:
Base-Base interactions energy: -218.400
where: short stacking energy: -85.483
Base-Backbone interact. energy: 1.712
local terms energy: -120.442808
where:
bonds (distance) C4'-P energy: -22.073
bonds (distance) P-C4' energy: -27.670
flat angles C4'-P-C4' energy: -26.651
flat angles P-C4'-P energy: -19.001
tors. eta vs tors. theta energy: -25.048
Dist. restrs. and SS energy: 0.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -320.397299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.397299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.176947 (E_RNA)
where:
Base-Base interactions energy: -223.020
where: short stacking energy: -89.859
Base-Backbone interact. energy: -0.398
local terms energy: -97.759102
where:
bonds (distance) C4'-P energy: -27.245
bonds (distance) P-C4' energy: -17.931
flat angles C4'-P-C4' energy: -21.636
flat angles P-C4'-P energy: -9.834
tors. eta vs tors. theta energy: -21.113
Dist. restrs. and SS energy: 0.780 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -317.232476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.232476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.424959 (E_RNA)
where:
Base-Base interactions energy: -216.903
where: short stacking energy: -73.853
Base-Backbone interact. energy: 0.435
local terms energy: -100.956746
where:
bonds (distance) C4'-P energy: -18.197
bonds (distance) P-C4' energy: -27.745
flat angles C4'-P-C4' energy: -27.082
flat angles P-C4'-P energy: -12.767
tors. eta vs tors. theta energy: -15.166
Dist. restrs. and SS energy: 0.192 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -331.663254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.663254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.957964 (E_RNA)
where:
Base-Base interactions energy: -233.552
where: short stacking energy: -89.499
Base-Backbone interact. energy: -0.601
local terms energy: -97.805321
where:
bonds (distance) C4'-P energy: -23.828
bonds (distance) P-C4' energy: -11.862
flat angles C4'-P-C4' energy: -21.097
flat angles P-C4'-P energy: -13.530
tors. eta vs tors. theta energy: -27.488
Dist. restrs. and SS energy: 0.295 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -411.840746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.840746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.078124 (E_RNA)
where:
Base-Base interactions energy: -284.962
where: short stacking energy: -117.854
Base-Backbone interact. energy: -0.974
local terms energy: -126.142418
where:
bonds (distance) C4'-P energy: -27.103
bonds (distance) P-C4' energy: -25.281
flat angles C4'-P-C4' energy: -27.500
flat angles P-C4'-P energy: -18.176
tors. eta vs tors. theta energy: -28.082
Dist. restrs. and SS energy: 0.237 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -422.656165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.656165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.758465 (E_RNA)
where:
Base-Base interactions energy: -282.692
where: short stacking energy: -117.948
Base-Backbone interact. energy: -0.877
local terms energy: -139.188936
where:
bonds (distance) C4'-P energy: -27.143
bonds (distance) P-C4' energy: -24.355
flat angles C4'-P-C4' energy: -30.593
flat angles P-C4'-P energy: -18.684
tors. eta vs tors. theta energy: -38.414
Dist. restrs. and SS energy: 0.102 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -388.181123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.181123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.468977 (E_RNA)
where:
Base-Base interactions energy: -254.382
where: short stacking energy: -105.350
Base-Backbone interact. energy: -0.378
local terms energy: -133.709446
where:
bonds (distance) C4'-P energy: -27.086
bonds (distance) P-C4' energy: -25.706
flat angles C4'-P-C4' energy: -29.140
flat angles P-C4'-P energy: -21.336
tors. eta vs tors. theta energy: -30.441
Dist. restrs. and SS energy: 0.288 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -406.093339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.093339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.261903 (E_RNA)
where:
Base-Base interactions energy: -277.493
where: short stacking energy: -105.362
Base-Backbone interact. energy: -0.358
local terms energy: -128.410218
where:
bonds (distance) C4'-P energy: -22.843
bonds (distance) P-C4' energy: -28.757
flat angles C4'-P-C4' energy: -30.049
flat angles P-C4'-P energy: -12.249
tors. eta vs tors. theta energy: -34.513
Dist. restrs. and SS energy: 0.169 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -395.953239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.953239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.116863 (E_RNA)
where:
Base-Base interactions energy: -269.761
where: short stacking energy: -112.075
Base-Backbone interact. energy: -0.685
local terms energy: -125.670389
where:
bonds (distance) C4'-P energy: -23.411
bonds (distance) P-C4' energy: -23.608
flat angles C4'-P-C4' energy: -30.299
flat angles P-C4'-P energy: -17.739
tors. eta vs tors. theta energy: -30.614
Dist. restrs. and SS energy: 0.164 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -358.817418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.817418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.967559 (E_RNA)
where:
Base-Base interactions energy: -231.688
where: short stacking energy: -89.439
Base-Backbone interact. energy: -0.249
local terms energy: -127.030661
where:
bonds (distance) C4'-P energy: -22.970
bonds (distance) P-C4' energy: -28.135
flat angles C4'-P-C4' energy: -29.107
flat angles P-C4'-P energy: -20.039
tors. eta vs tors. theta energy: -26.780
Dist. restrs. and SS energy: 0.150 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -337.002452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.002452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.619142 (E_RNA)
where:
Base-Base interactions energy: -230.739
where: short stacking energy: -84.790
Base-Backbone interact. energy: -0.187
local terms energy: -106.692926
where:
bonds (distance) C4'-P energy: -23.537
bonds (distance) P-C4' energy: -18.184
flat angles C4'-P-C4' energy: -21.230
flat angles P-C4'-P energy: -16.481
tors. eta vs tors. theta energy: -27.261
Dist. restrs. and SS energy: 0.617 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -325.627774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.627774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.209691 (E_RNA)
where:
Base-Base interactions energy: -216.599
where: short stacking energy: -82.468
Base-Backbone interact. energy: 0.844
local terms energy: -110.454750
where:
bonds (distance) C4'-P energy: -26.393
bonds (distance) P-C4' energy: -29.141
flat angles C4'-P-C4' energy: -17.642
flat angles P-C4'-P energy: -15.127
tors. eta vs tors. theta energy: -22.151
Dist. restrs. and SS energy: 0.582 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -343.141140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.141140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.566284 (E_RNA)
where:
Base-Base interactions energy: -233.936
where: short stacking energy: -85.548
Base-Backbone interact. energy: -0.463
local terms energy: -109.168264
where:
bonds (distance) C4'-P energy: -25.451
bonds (distance) P-C4' energy: -20.899
flat angles C4'-P-C4' energy: -23.529
flat angles P-C4'-P energy: -12.465
tors. eta vs tors. theta energy: -26.825
Dist. restrs. and SS energy: 0.425 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -314.135072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.135072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.150001 (E_RNA)
where:
Base-Base interactions energy: -229.768
where: short stacking energy: -91.009
Base-Backbone interact. energy: -0.320
local terms energy: -84.061943
where:
bonds (distance) C4'-P energy: -22.659
bonds (distance) P-C4' energy: -11.210
flat angles C4'-P-C4' energy: -13.274
flat angles P-C4'-P energy: -16.791
tors. eta vs tors. theta energy: -20.128
Dist. restrs. and SS energy: 0.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -418.547452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.547452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.863887 (E_RNA)
where:
Base-Base interactions energy: -284.896
where: short stacking energy: -109.391
Base-Backbone interact. energy: -0.876
local terms energy: -133.091274
where:
bonds (distance) C4'-P energy: -30.493
bonds (distance) P-C4' energy: -24.112
flat angles C4'-P-C4' energy: -29.164
flat angles P-C4'-P energy: -18.142
tors. eta vs tors. theta energy: -31.180
Dist. restrs. and SS energy: 0.316 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -401.973473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.973473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.258879 (E_RNA)
where:
Base-Base interactions energy: -274.722
where: short stacking energy: -114.526
Base-Backbone interact. energy: -0.364
local terms energy: -127.172653
where:
bonds (distance) C4'-P energy: -23.170
bonds (distance) P-C4' energy: -27.502
flat angles C4'-P-C4' energy: -27.076
flat angles P-C4'-P energy: -16.614
tors. eta vs tors. theta energy: -32.811
Dist. restrs. and SS energy: 0.285 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -366.133580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.133580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.190726 (E_RNA)
where:
Base-Base interactions energy: -250.057
where: short stacking energy: -97.538
Base-Backbone interact. energy: -0.867
local terms energy: -115.266565
where:
bonds (distance) C4'-P energy: -25.665
bonds (distance) P-C4' energy: -26.772
flat angles C4'-P-C4' energy: -27.458
flat angles P-C4'-P energy: -14.344
tors. eta vs tors. theta energy: -21.027
Dist. restrs. and SS energy: 0.057 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -392.421325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.421325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.577055 (E_RNA)
where:
Base-Base interactions energy: -270.925
where: short stacking energy: -95.614
Base-Backbone interact. energy: -0.425
local terms energy: -121.227257
where:
bonds (distance) C4'-P energy: -25.290
bonds (distance) P-C4' energy: -26.943
flat angles C4'-P-C4' energy: -27.794
flat angles P-C4'-P energy: -15.179
tors. eta vs tors. theta energy: -26.021
Dist. restrs. and SS energy: 0.156 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -383.305924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.305924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.350645 (E_RNA)
where:
Base-Base interactions energy: -261.805
where: short stacking energy: -104.144
Base-Backbone interact. energy: -0.411
local terms energy: -121.134489
where:
bonds (distance) C4'-P energy: -25.700
bonds (distance) P-C4' energy: -21.485
flat angles C4'-P-C4' energy: -27.058
flat angles P-C4'-P energy: -15.086
tors. eta vs tors. theta energy: -31.806
Dist. restrs. and SS energy: 0.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -353.521655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.521655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.693523 (E_RNA)
where:
Base-Base interactions energy: -226.610
where: short stacking energy: -86.412
Base-Backbone interact. energy: -1.241
local terms energy: -125.841898
where:
bonds (distance) C4'-P energy: -26.458
bonds (distance) P-C4' energy: -28.643
flat angles C4'-P-C4' energy: -26.990
flat angles P-C4'-P energy: -18.670
tors. eta vs tors. theta energy: -25.081
Dist. restrs. and SS energy: 0.172 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -337.081190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.081190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.307161 (E_RNA)
where:
Base-Base interactions energy: -231.851
where: short stacking energy: -88.672
Base-Backbone interact. energy: -1.346
local terms energy: -104.109698
where:
bonds (distance) C4'-P energy: -18.766
bonds (distance) P-C4' energy: -23.350
flat angles C4'-P-C4' energy: -21.994
flat angles P-C4'-P energy: -19.397
tors. eta vs tors. theta energy: -20.603
Dist. restrs. and SS energy: 0.226 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -331.106715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.106715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.215656 (E_RNA)
where:
Base-Base interactions energy: -223.015
where: short stacking energy: -85.711
Base-Backbone interact. energy: -0.899
local terms energy: -107.302332
where:
bonds (distance) C4'-P energy: -21.708
bonds (distance) P-C4' energy: -23.856
flat angles C4'-P-C4' energy: -27.295
flat angles P-C4'-P energy: -13.523
tors. eta vs tors. theta energy: -20.920
Dist. restrs. and SS energy: 0.109 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -319.927667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.927667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.275303 (E_RNA)
where:
Base-Base interactions energy: -217.795
where: short stacking energy: -73.997
Base-Backbone interact. energy: 0.880
local terms energy: -103.360145
where:
bonds (distance) C4'-P energy: -25.653
bonds (distance) P-C4' energy: -26.609
flat angles C4'-P-C4' energy: -17.638
flat angles P-C4'-P energy: -16.976
tors. eta vs tors. theta energy: -16.484
Dist. restrs. and SS energy: 0.348 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -304.472407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.472407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.817778 (E_RNA)
where:
Base-Base interactions energy: -213.277
where: short stacking energy: -79.561
Base-Backbone interact. energy: -0.571
local terms energy: -90.969662
where:
bonds (distance) C4'-P energy: -19.706
bonds (distance) P-C4' energy: -23.482
flat angles C4'-P-C4' energy: -15.631
flat angles P-C4'-P energy: -17.706
tors. eta vs tors. theta energy: -14.445
Dist. restrs. and SS energy: 0.345 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -426.098470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.098470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.384382 (E_RNA)
where:
Base-Base interactions energy: -299.564
where: short stacking energy: -109.991
Base-Backbone interact. energy: 0.486
local terms energy: -127.306277
where:
bonds (distance) C4'-P energy: -26.493
bonds (distance) P-C4' energy: -28.637
flat angles C4'-P-C4' energy: -25.609
flat angles P-C4'-P energy: -15.994
tors. eta vs tors. theta energy: -30.574
Dist. restrs. and SS energy: 0.286 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -411.048853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.048853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.129061 (E_RNA)
where:
Base-Base interactions energy: -276.950
where: short stacking energy: -113.959
Base-Backbone interact. energy: -0.263
local terms energy: -133.916427
where:
bonds (distance) C4'-P energy: -25.584
bonds (distance) P-C4' energy: -31.017
flat angles C4'-P-C4' energy: -24.488
flat angles P-C4'-P energy: -16.791
tors. eta vs tors. theta energy: -36.036
Dist. restrs. and SS energy: 0.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -393.175789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.175789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.366261 (E_RNA)
where:
Base-Base interactions energy: -269.884
where: short stacking energy: -102.810
Base-Backbone interact. energy: -1.121
local terms energy: -122.361694
where:
bonds (distance) C4'-P energy: -18.329
bonds (distance) P-C4' energy: -24.081
flat angles C4'-P-C4' energy: -33.337
flat angles P-C4'-P energy: -16.566
tors. eta vs tors. theta energy: -30.048
Dist. restrs. and SS energy: 0.190 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -371.482555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.482555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.657681 (E_RNA)
where:
Base-Base interactions energy: -254.009
where: short stacking energy: -101.758
Base-Backbone interact. energy: -1.065
local terms energy: -116.584388
where:
bonds (distance) C4'-P energy: -27.166
bonds (distance) P-C4' energy: -25.264
flat angles C4'-P-C4' energy: -25.952
flat angles P-C4'-P energy: -14.664
tors. eta vs tors. theta energy: -23.540
Dist. restrs. and SS energy: 0.175 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -377.128644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.128644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.284377 (E_RNA)
where:
Base-Base interactions energy: -259.523
where: short stacking energy: -111.450
Base-Backbone interact. energy: -2.373
local terms energy: -115.388760
where:
bonds (distance) C4'-P energy: -23.680
bonds (distance) P-C4' energy: -22.224
flat angles C4'-P-C4' energy: -24.359
flat angles P-C4'-P energy: -16.622
tors. eta vs tors. theta energy: -28.504
Dist. restrs. and SS energy: 0.156 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -365.353023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.353023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.643977 (E_RNA)
where:
Base-Base interactions energy: -244.743
where: short stacking energy: -96.852
Base-Backbone interact. energy: -1.795
local terms energy: -119.106285
where:
bonds (distance) C4'-P energy: -23.199
bonds (distance) P-C4' energy: -30.223
flat angles C4'-P-C4' energy: -23.242
flat angles P-C4'-P energy: -19.912
tors. eta vs tors. theta energy: -22.531
Dist. restrs. and SS energy: 0.291 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -340.327102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.327102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.640285 (E_RNA)
where:
Base-Base interactions energy: -233.295
where: short stacking energy: -101.385
Base-Backbone interact. energy: 0.473
local terms energy: -107.817511
where:
bonds (distance) C4'-P energy: -21.951
bonds (distance) P-C4' energy: -20.517
flat angles C4'-P-C4' energy: -25.295
flat angles P-C4'-P energy: -13.501
tors. eta vs tors. theta energy: -26.553
Dist. restrs. and SS energy: 0.313 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -340.813784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.813784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.143344 (E_RNA)
where:
Base-Base interactions energy: -236.726
where: short stacking energy: -93.043
Base-Backbone interact. energy: -0.546
local terms energy: -103.871129
where:
bonds (distance) C4'-P energy: -22.063
bonds (distance) P-C4' energy: -21.540
flat angles C4'-P-C4' energy: -24.343
flat angles P-C4'-P energy: -14.847
tors. eta vs tors. theta energy: -21.078
Dist. restrs. and SS energy: 0.330 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -304.144637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.144637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.832824 (E_RNA)
where:
Base-Base interactions energy: -203.560
where: short stacking energy: -76.300
Base-Backbone interact. energy: -0.771
local terms energy: -100.501732
where:
bonds (distance) C4'-P energy: -29.623
bonds (distance) P-C4' energy: -23.166
flat angles C4'-P-C4' energy: -19.087
flat angles P-C4'-P energy: -11.547
tors. eta vs tors. theta energy: -17.078
Dist. restrs. and SS energy: 0.688 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -316.424083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.424083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.957718 (E_RNA)
where:
Base-Base interactions energy: -207.988
where: short stacking energy: -78.861
Base-Backbone interact. energy: -0.458
local terms energy: -108.511223
where:
bonds (distance) C4'-P energy: -19.869
bonds (distance) P-C4' energy: -24.231
flat angles C4'-P-C4' energy: -28.574
flat angles P-C4'-P energy: -17.002
tors. eta vs tors. theta energy: -18.835
Dist. restrs. and SS energy: 0.534 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -423.635789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.635789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.841115 (E_RNA)
where:
Base-Base interactions energy: -284.654
where: short stacking energy: -121.290
Base-Backbone interact. energy: -0.368
local terms energy: -138.818355
where:
bonds (distance) C4'-P energy: -30.269
bonds (distance) P-C4' energy: -29.710
flat angles C4'-P-C4' energy: -31.699
flat angles P-C4'-P energy: -16.486
tors. eta vs tors. theta energy: -30.654
Dist. restrs. and SS energy: 0.205 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -412.259348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.259348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.523963 (E_RNA)
where:
Base-Base interactions energy: -273.365
where: short stacking energy: -116.338
Base-Backbone interact. energy: -0.462
local terms energy: -138.696947
where:
bonds (distance) C4'-P energy: -25.094
bonds (distance) P-C4' energy: -27.552
flat angles C4'-P-C4' energy: -32.026
flat angles P-C4'-P energy: -18.320
tors. eta vs tors. theta energy: -35.706
Dist. restrs. and SS energy: 0.265 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -410.816884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.816884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.883248 (E_RNA)
where:
Base-Base interactions energy: -264.037
where: short stacking energy: -108.467
Base-Backbone interact. energy: -0.344
local terms energy: -146.502205
where:
bonds (distance) C4'-P energy: -31.156
bonds (distance) P-C4' energy: -32.263
flat angles C4'-P-C4' energy: -31.040
flat angles P-C4'-P energy: -19.527
tors. eta vs tors. theta energy: -32.517
Dist. restrs. and SS energy: 0.066 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -377.498259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.498259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.872235 (E_RNA)
where:
Base-Base interactions energy: -260.910
where: short stacking energy: -93.320
Base-Backbone interact. energy: -0.558
local terms energy: -116.403979
where:
bonds (distance) C4'-P energy: -24.352
bonds (distance) P-C4' energy: -25.173
flat angles C4'-P-C4' energy: -24.101
flat angles P-C4'-P energy: -16.811
tors. eta vs tors. theta energy: -25.967
Dist. restrs. and SS energy: 0.374 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -379.921414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.921414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.472256 (E_RNA)
where:
Base-Base interactions energy: -251.241
where: short stacking energy: -106.752
Base-Backbone interact. energy: -1.079
local terms energy: -128.151892
where:
bonds (distance) C4'-P energy: -21.506
bonds (distance) P-C4' energy: -30.633
flat angles C4'-P-C4' energy: -25.951
flat angles P-C4'-P energy: -22.003
tors. eta vs tors. theta energy: -28.060
Dist. restrs. and SS energy: 0.551 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -362.282514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.282514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.761036 (E_RNA)
where:
Base-Base interactions energy: -235.000
where: short stacking energy: -97.821
Base-Backbone interact. energy: -1.720
local terms energy: -126.041086
where:
bonds (distance) C4'-P energy: -23.760
bonds (distance) P-C4' energy: -31.732
flat angles C4'-P-C4' energy: -25.008
flat angles P-C4'-P energy: -19.412
tors. eta vs tors. theta energy: -26.129
Dist. restrs. and SS energy: 0.479 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -327.568869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.568869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.636788 (E_RNA)
where:
Base-Base interactions energy: -219.341
where: short stacking energy: -83.877
Base-Backbone interact. energy: 0.716
local terms energy: -109.012272
where:
bonds (distance) C4'-P energy: -25.773
bonds (distance) P-C4' energy: -20.837
flat angles C4'-P-C4' energy: -26.140
flat angles P-C4'-P energy: -13.258
tors. eta vs tors. theta energy: -23.004
Dist. restrs. and SS energy: 0.068 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -335.344998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.344998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.425151 (E_RNA)
where:
Base-Base interactions energy: -233.043
where: short stacking energy: -96.511
Base-Backbone interact. energy: 2.686
local terms energy: -105.068697
where:
bonds (distance) C4'-P energy: -17.518
bonds (distance) P-C4' energy: -19.298
flat angles C4'-P-C4' energy: -28.917
flat angles P-C4'-P energy: -16.746
tors. eta vs tors. theta energy: -22.590
Dist. restrs. and SS energy: 0.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -321.744647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.744647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.629403 (E_RNA)
where:
Base-Base interactions energy: -219.547
where: short stacking energy: -89.072
Base-Backbone interact. energy: 0.633
local terms energy: -103.715679
where:
bonds (distance) C4'-P energy: -21.197
bonds (distance) P-C4' energy: -20.973
flat angles C4'-P-C4' energy: -29.282
flat angles P-C4'-P energy: -9.762
tors. eta vs tors. theta energy: -22.502
Dist. restrs. and SS energy: 0.885 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -302.043357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.043357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.551616 (E_RNA)
where:
Base-Base interactions energy: -204.722
where: short stacking energy: -76.062
Base-Backbone interact. energy: 0.452
local terms energy: -98.281584
where:
bonds (distance) C4'-P energy: -24.010
bonds (distance) P-C4' energy: -22.517
flat angles C4'-P-C4' energy: -25.105
flat angles P-C4'-P energy: -13.303
tors. eta vs tors. theta energy: -13.346
Dist. restrs. and SS energy: 0.508 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -429.638596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.638596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.998098 (E_RNA)
where:
Base-Base interactions energy: -286.133
where: short stacking energy: -115.459
Base-Backbone interact. energy: -0.752
local terms energy: -143.112521
where:
bonds (distance) C4'-P energy: -28.597
bonds (distance) P-C4' energy: -30.048
flat angles C4'-P-C4' energy: -29.351
flat angles P-C4'-P energy: -21.597
tors. eta vs tors. theta energy: -33.520
Dist. restrs. and SS energy: 0.360 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -407.370160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.370160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.730494 (E_RNA)
where:
Base-Base interactions energy: -274.003
where: short stacking energy: -108.738
Base-Backbone interact. energy: -0.835
local terms energy: -132.892601
where:
bonds (distance) C4'-P energy: -20.846
bonds (distance) P-C4' energy: -27.142
flat angles C4'-P-C4' energy: -31.835
flat angles P-C4'-P energy: -19.533
tors. eta vs tors. theta energy: -33.536
Dist. restrs. and SS energy: 0.360 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -388.658040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.658040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.843072 (E_RNA)
where:
Base-Base interactions energy: -262.898
where: short stacking energy: -104.296
Base-Backbone interact. energy: -1.504
local terms energy: -124.440460
where:
bonds (distance) C4'-P energy: -25.018
bonds (distance) P-C4' energy: -27.610
flat angles C4'-P-C4' energy: -27.109
flat angles P-C4'-P energy: -18.040
tors. eta vs tors. theta energy: -26.663
Dist. restrs. and SS energy: 0.185 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -400.642115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.642115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.726531 (E_RNA)
where:
Base-Base interactions energy: -269.620
where: short stacking energy: -118.713
Base-Backbone interact. energy: -0.214
local terms energy: -130.892686
where:
bonds (distance) C4'-P energy: -23.338
bonds (distance) P-C4' energy: -25.173
flat angles C4'-P-C4' energy: -30.314
flat angles P-C4'-P energy: -15.386
tors. eta vs tors. theta energy: -36.681
Dist. restrs. and SS energy: 0.084 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -391.406232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.406232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.500506 (E_RNA)
where:
Base-Base interactions energy: -266.428
where: short stacking energy: -116.268
Base-Backbone interact. energy: -0.737
local terms energy: -124.335504
where:
bonds (distance) C4'-P energy: -22.461
bonds (distance) P-C4' energy: -20.649
flat angles C4'-P-C4' energy: -29.227
flat angles P-C4'-P energy: -15.024
tors. eta vs tors. theta energy: -36.975
Dist. restrs. and SS energy: 0.094 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -352.832175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.832175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.199977 (E_RNA)
where:
Base-Base interactions energy: -225.083
where: short stacking energy: -85.457
Base-Backbone interact. energy: -0.527
local terms energy: -127.590117
where:
bonds (distance) C4'-P energy: -29.999
bonds (distance) P-C4' energy: -34.403
flat angles C4'-P-C4' energy: -27.069
flat angles P-C4'-P energy: -15.678
tors. eta vs tors. theta energy: -20.442
Dist. restrs. and SS energy: 0.368 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -332.645671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.645671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.038356 (E_RNA)
where:
Base-Base interactions energy: -215.786
where: short stacking energy: -81.200
Base-Backbone interact. energy: -0.291
local terms energy: -116.961228
where:
bonds (distance) C4'-P energy: -31.826
bonds (distance) P-C4' energy: -21.297
flat angles C4'-P-C4' energy: -21.692
flat angles P-C4'-P energy: -17.260
tors. eta vs tors. theta energy: -24.886
Dist. restrs. and SS energy: 0.393 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -319.644456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.644456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.151373 (E_RNA)
where:
Base-Base interactions energy: -226.858
where: short stacking energy: -85.294
Base-Backbone interact. energy: -0.483
local terms energy: -92.809834
where:
bonds (distance) C4'-P energy: -19.492
bonds (distance) P-C4' energy: -21.346
flat angles C4'-P-C4' energy: -24.755
flat angles P-C4'-P energy: -11.317
tors. eta vs tors. theta energy: -15.900
Dist. restrs. and SS energy: 0.507 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -328.818712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.818712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.453714 (E_RNA)
where:
Base-Base interactions energy: -221.242
where: short stacking energy: -81.986
Base-Backbone interact. energy: -0.228
local terms energy: -107.983413
where:
bonds (distance) C4'-P energy: -23.513
bonds (distance) P-C4' energy: -22.721
flat angles C4'-P-C4' energy: -19.667
flat angles P-C4'-P energy: -18.022
tors. eta vs tors. theta energy: -24.061
Dist. restrs. and SS energy: 0.635 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -288.812819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.812819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.111936 (E_RNA)
where:
Base-Base interactions energy: -189.867
where: short stacking energy: -67.756
Base-Backbone interact. energy: -0.539
local terms energy: -98.706289
where:
bonds (distance) C4'-P energy: -28.336
bonds (distance) P-C4' energy: -24.254
flat angles C4'-P-C4' energy: -26.561
flat angles P-C4'-P energy: -8.699
tors. eta vs tors. theta energy: -10.856
Dist. restrs. and SS energy: 0.299 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -435.003489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.003489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.076532 (E_RNA)
where:
Base-Base interactions energy: -302.344
where: short stacking energy: -109.228
Base-Backbone interact. energy: -0.743
local terms energy: -131.989722
where:
bonds (distance) C4'-P energy: -26.687
bonds (distance) P-C4' energy: -25.979
flat angles C4'-P-C4' energy: -30.364
flat angles P-C4'-P energy: -15.111
tors. eta vs tors. theta energy: -33.848
Dist. restrs. and SS energy: 0.073 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -410.039993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.039993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.487579 (E_RNA)
where:
Base-Base interactions energy: -262.344
where: short stacking energy: -116.762
Base-Backbone interact. energy: -0.677
local terms energy: -147.466910
where:
bonds (distance) C4'-P energy: -30.724
bonds (distance) P-C4' energy: -32.315
flat angles C4'-P-C4' energy: -28.840
flat angles P-C4'-P energy: -16.063
tors. eta vs tors. theta energy: -39.525
Dist. restrs. and SS energy: 0.448 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -383.184431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.184431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.518198 (E_RNA)
where:
Base-Base interactions energy: -262.590
where: short stacking energy: -98.472
Base-Backbone interact. energy: -1.170
local terms energy: -119.758680
where:
bonds (distance) C4'-P energy: -20.461
bonds (distance) P-C4' energy: -25.534
flat angles C4'-P-C4' energy: -27.125
flat angles P-C4'-P energy: -21.482
tors. eta vs tors. theta energy: -25.157
Dist. restrs. and SS energy: 0.334 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -390.754801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.754801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.892177 (E_RNA)
where:
Base-Base interactions energy: -260.820
where: short stacking energy: -109.292
Base-Backbone interact. energy: -0.235
local terms energy: -129.837365
where:
bonds (distance) C4'-P energy: -25.848
bonds (distance) P-C4' energy: -23.729
flat angles C4'-P-C4' energy: -30.509
flat angles P-C4'-P energy: -15.871
tors. eta vs tors. theta energy: -33.880
Dist. restrs. and SS energy: 0.137 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -383.582577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.582577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.269964 (E_RNA)
where:
Base-Base interactions energy: -261.383
where: short stacking energy: -97.666
Base-Backbone interact. energy: -0.276
local terms energy: -122.611631
where:
bonds (distance) C4'-P energy: -24.490
bonds (distance) P-C4' energy: -24.825
flat angles C4'-P-C4' energy: -29.829
flat angles P-C4'-P energy: -12.111
tors. eta vs tors. theta energy: -31.356
Dist. restrs. and SS energy: 0.687 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -351.611709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.611709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.179026 (E_RNA)
where:
Base-Base interactions energy: -238.891
where: short stacking energy: -94.348
Base-Backbone interact. energy: -1.183
local terms energy: -112.105047
where:
bonds (distance) C4'-P energy: -17.314
bonds (distance) P-C4' energy: -27.645
flat angles C4'-P-C4' energy: -27.027
flat angles P-C4'-P energy: -16.229
tors. eta vs tors. theta energy: -23.890
Dist. restrs. and SS energy: 0.567 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -330.082010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.082010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.251756 (E_RNA)
where:
Base-Base interactions energy: -221.720
where: short stacking energy: -81.384
Base-Backbone interact. energy: -0.258
local terms energy: -108.273679
where:
bonds (distance) C4'-P energy: -23.872
bonds (distance) P-C4' energy: -21.692
flat angles C4'-P-C4' energy: -27.654
flat angles P-C4'-P energy: -11.448
tors. eta vs tors. theta energy: -23.607
Dist. restrs. and SS energy: 0.170 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -341.091899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.091899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.196900 (E_RNA)
where:
Base-Base interactions energy: -232.852
where: short stacking energy: -88.387
Base-Backbone interact. energy: 1.992
local terms energy: -110.337230
where:
bonds (distance) C4'-P energy: -22.599
bonds (distance) P-C4' energy: -22.530
flat angles C4'-P-C4' energy: -26.685
flat angles P-C4'-P energy: -15.264
tors. eta vs tors. theta energy: -23.260
Dist. restrs. and SS energy: 0.105 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -336.257024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.257024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.453257 (E_RNA)
where:
Base-Base interactions energy: -235.189
where: short stacking energy: -96.553
Base-Backbone interact. energy: 0.385
local terms energy: -101.648940
where:
bonds (distance) C4'-P energy: -16.098
bonds (distance) P-C4' energy: -22.870
flat angles C4'-P-C4' energy: -24.078
flat angles P-C4'-P energy: -15.667
tors. eta vs tors. theta energy: -22.935
Dist. restrs. and SS energy: 0.196 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -300.185153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.185153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.820863 (E_RNA)
where:
Base-Base interactions energy: -203.177
where: short stacking energy: -76.035
Base-Backbone interact. energy: -0.097
local terms energy: -97.546848
where:
bonds (distance) C4'-P energy: -25.972
bonds (distance) P-C4' energy: -20.642
flat angles C4'-P-C4' energy: -17.718
flat angles P-C4'-P energy: -20.147
tors. eta vs tors. theta energy: -13.068
Dist. restrs. and SS energy: 0.636 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -428.397244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.397244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.749904 (E_RNA)
where:
Base-Base interactions energy: -297.669
where: short stacking energy: -107.488
Base-Backbone interact. energy: -0.744
local terms energy: -130.336867
where:
bonds (distance) C4'-P energy: -29.312
bonds (distance) P-C4' energy: -24.578
flat angles C4'-P-C4' energy: -23.784
flat angles P-C4'-P energy: -19.918
tors. eta vs tors. theta energy: -32.745
Dist. restrs. and SS energy: 0.353 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -399.723086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.723086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.925956 (E_RNA)
where:
Base-Base interactions energy: -272.118
where: short stacking energy: -114.621
Base-Backbone interact. energy: -1.699
local terms energy: -126.108569
where:
bonds (distance) C4'-P energy: -21.663
bonds (distance) P-C4' energy: -28.979
flat angles C4'-P-C4' energy: -27.072
flat angles P-C4'-P energy: -16.572
tors. eta vs tors. theta energy: -31.823
Dist. restrs. and SS energy: 0.203 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -401.140357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.140357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.560304 (E_RNA)
where:
Base-Base interactions energy: -266.894
where: short stacking energy: -104.064
Base-Backbone interact. energy: -1.619
local terms energy: -133.047775
where:
bonds (distance) C4'-P energy: -22.140
bonds (distance) P-C4' energy: -29.091
flat angles C4'-P-C4' energy: -34.078
flat angles P-C4'-P energy: -15.137
tors. eta vs tors. theta energy: -32.601
Dist. restrs. and SS energy: 0.420 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -381.426909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.426909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.523718 (E_RNA)
where:
Base-Base interactions energy: -259.641
where: short stacking energy: -108.052
Base-Backbone interact. energy: -0.806
local terms energy: -121.077110
where:
bonds (distance) C4'-P energy: -27.480
bonds (distance) P-C4' energy: -23.168
flat angles C4'-P-C4' energy: -25.844
flat angles P-C4'-P energy: -13.558
tors. eta vs tors. theta energy: -31.026
Dist. restrs. and SS energy: 0.097 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -371.616811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.616811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.128468 (E_RNA)
where:
Base-Base interactions energy: -246.355
where: short stacking energy: -109.386
Base-Backbone interact. energy: -0.329
local terms energy: -125.444600
where:
bonds (distance) C4'-P energy: -23.282
bonds (distance) P-C4' energy: -29.319
flat angles C4'-P-C4' energy: -28.905
flat angles P-C4'-P energy: -16.699
tors. eta vs tors. theta energy: -27.240
Dist. restrs. and SS energy: 0.512 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -348.874293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.874293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.009387 (E_RNA)
where:
Base-Base interactions energy: -238.833
where: short stacking energy: -93.037
Base-Backbone interact. energy: -0.149
local terms energy: -110.027537
where:
bonds (distance) C4'-P energy: -28.985
bonds (distance) P-C4' energy: -26.179
flat angles C4'-P-C4' energy: -25.532
flat angles P-C4'-P energy: -9.415
tors. eta vs tors. theta energy: -19.916
Dist. restrs. and SS energy: 0.135 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -336.229632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.229632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.035143 (E_RNA)
where:
Base-Base interactions energy: -225.471
where: short stacking energy: -89.816
Base-Backbone interact. energy: -1.385
local terms energy: -110.178262
where:
bonds (distance) C4'-P energy: -21.966
bonds (distance) P-C4' energy: -24.553
flat angles C4'-P-C4' energy: -25.644
flat angles P-C4'-P energy: -15.703
tors. eta vs tors. theta energy: -22.313
Dist. restrs. and SS energy: 0.806 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -333.344895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.344895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.568502 (E_RNA)
where:
Base-Base interactions energy: -233.386
where: short stacking energy: -90.488
Base-Backbone interact. energy: -0.268
local terms energy: -99.913738
where:
bonds (distance) C4'-P energy: -13.262
bonds (distance) P-C4' energy: -17.420
flat angles C4'-P-C4' energy: -29.414
flat angles P-C4'-P energy: -13.970
tors. eta vs tors. theta energy: -25.847
Dist. restrs. and SS energy: 0.224 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -333.122218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.122218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.462260 (E_RNA)
where:
Base-Base interactions energy: -226.386
where: short stacking energy: -95.513
Base-Backbone interact. energy: 0.172
local terms energy: -107.247935
where:
bonds (distance) C4'-P energy: -19.365
bonds (distance) P-C4' energy: -23.179
flat angles C4'-P-C4' energy: -26.240
flat angles P-C4'-P energy: -12.264
tors. eta vs tors. theta energy: -26.201
Dist. restrs. and SS energy: 0.340 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -293.339396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.339396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.871655 (E_RNA)
where:
Base-Base interactions energy: -189.099
where: short stacking energy: -69.908
Base-Backbone interact. energy: 0.889
local terms energy: -105.661756
where:
bonds (distance) C4'-P energy: -30.088
bonds (distance) P-C4' energy: -25.134
flat angles C4'-P-C4' energy: -16.973
flat angles P-C4'-P energy: -17.367
tors. eta vs tors. theta energy: -16.100
Dist. restrs. and SS energy: 0.532 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -422.116269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.116269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.241287 (E_RNA)
where:
Base-Base interactions energy: -301.591
where: short stacking energy: -123.335
Base-Backbone interact. energy: -1.259
local terms energy: -119.390754
where:
bonds (distance) C4'-P energy: -17.959
bonds (distance) P-C4' energy: -28.490
flat angles C4'-P-C4' energy: -26.824
flat angles P-C4'-P energy: -12.340
tors. eta vs tors. theta energy: -33.778
Dist. restrs. and SS energy: 0.125 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -414.634629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.634629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.486453 (E_RNA)
where:
Base-Base interactions energy: -275.252
where: short stacking energy: -109.633
Base-Backbone interact. energy: -0.576
local terms energy: -139.659132
where:
bonds (distance) C4'-P energy: -26.212
bonds (distance) P-C4' energy: -34.438
flat angles C4'-P-C4' energy: -26.058
flat angles P-C4'-P energy: -21.295
tors. eta vs tors. theta energy: -31.657
Dist. restrs. and SS energy: 0.852 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -400.543647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.543647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.724929 (E_RNA)
where:
Base-Base interactions energy: -264.215
where: short stacking energy: -105.503
Base-Backbone interact. energy: -0.716
local terms energy: -135.794397
where:
bonds (distance) C4'-P energy: -22.705
bonds (distance) P-C4' energy: -29.744
flat angles C4'-P-C4' energy: -33.933
flat angles P-C4'-P energy: -18.370
tors. eta vs tors. theta energy: -31.042
Dist. restrs. and SS energy: 0.181 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -376.997710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.997710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.155737 (E_RNA)
where:
Base-Base interactions energy: -256.900
where: short stacking energy: -95.023
Base-Backbone interact. energy: 0.285
local terms energy: -120.540516
where:
bonds (distance) C4'-P energy: -31.228
bonds (distance) P-C4' energy: -27.475
flat angles C4'-P-C4' energy: -21.091
flat angles P-C4'-P energy: -18.826
tors. eta vs tors. theta energy: -21.921
Dist. restrs. and SS energy: 0.158 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -385.296502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.296502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.768234 (E_RNA)
where:
Base-Base interactions energy: -259.238
where: short stacking energy: -104.604
Base-Backbone interact. energy: -0.350
local terms energy: -126.179621
where:
bonds (distance) C4'-P energy: -25.190
bonds (distance) P-C4' energy: -29.868
flat angles C4'-P-C4' energy: -27.962
flat angles P-C4'-P energy: -17.768
tors. eta vs tors. theta energy: -25.392
Dist. restrs. and SS energy: 0.472 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -340.132335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.132335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.488205 (E_RNA)
where:
Base-Base interactions energy: -232.098
where: short stacking energy: -96.578
Base-Backbone interact. energy: -0.382
local terms energy: -108.008934
where:
bonds (distance) C4'-P energy: -24.910
bonds (distance) P-C4' energy: -17.260
flat angles C4'-P-C4' energy: -30.913
flat angles P-C4'-P energy: -10.069
tors. eta vs tors. theta energy: -24.856
Dist. restrs. and SS energy: 0.356 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -340.777621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.777621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.870074 (E_RNA)
where:
Base-Base interactions energy: -236.911
where: short stacking energy: -84.048
Base-Backbone interact. energy: -0.662
local terms energy: -103.297085
where:
bonds (distance) C4'-P energy: -21.046
bonds (distance) P-C4' energy: -23.544
flat angles C4'-P-C4' energy: -22.568
flat angles P-C4'-P energy: -20.241
tors. eta vs tors. theta energy: -15.898
Dist. restrs. and SS energy: 0.092 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -337.175697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.175697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.727608 (E_RNA)
where:
Base-Base interactions energy: -225.345
where: short stacking energy: -85.143
Base-Backbone interact. energy: -0.304
local terms energy: -112.078477
where:
bonds (distance) C4'-P energy: -27.587
bonds (distance) P-C4' energy: -22.027
flat angles C4'-P-C4' energy: -26.577
flat angles P-C4'-P energy: -12.910
tors. eta vs tors. theta energy: -22.978
Dist. restrs. and SS energy: 0.552 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -324.382079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.382079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.564947 (E_RNA)
where:
Base-Base interactions energy: -216.274
where: short stacking energy: -89.192
Base-Backbone interact. energy: -0.398
local terms energy: -107.892009
where:
bonds (distance) C4'-P energy: -20.494
bonds (distance) P-C4' energy: -16.401
flat angles C4'-P-C4' energy: -23.692
flat angles P-C4'-P energy: -18.252
tors. eta vs tors. theta energy: -29.053
Dist. restrs. and SS energy: 0.183 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -300.896431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.896431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.984079 (E_RNA)
where:
Base-Base interactions energy: -221.553
where: short stacking energy: -80.075
Base-Backbone interact. energy: -0.365
local terms energy: -79.066355
where:
bonds (distance) C4'-P energy: -5.622
bonds (distance) P-C4' energy: -24.681
flat angles C4'-P-C4' energy: -19.060
flat angles P-C4'-P energy: -12.510
tors. eta vs tors. theta energy: -17.193
Dist. restrs. and SS energy: 0.088 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -416.498643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.498643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.601419 (E_RNA)
where:
Base-Base interactions energy: -281.465
where: short stacking energy: -117.129
Base-Backbone interact. energy: -0.531
local terms energy: -134.605979
where:
bonds (distance) C4'-P energy: -25.168
bonds (distance) P-C4' energy: -31.440
flat angles C4'-P-C4' energy: -30.351
flat angles P-C4'-P energy: -13.662
tors. eta vs tors. theta energy: -33.985
Dist. restrs. and SS energy: 0.103 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -418.228798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.228798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.571719 (E_RNA)
where:
Base-Base interactions energy: -283.074
where: short stacking energy: -107.105
Base-Backbone interact. energy: -0.821
local terms energy: -134.677428
where:
bonds (distance) C4'-P energy: -26.088
bonds (distance) P-C4' energy: -30.352
flat angles C4'-P-C4' energy: -27.362
flat angles P-C4'-P energy: -21.084
tors. eta vs tors. theta energy: -29.791
Dist. restrs. and SS energy: 0.343 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -402.517325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.517325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.886836 (E_RNA)
where:
Base-Base interactions energy: -269.622
where: short stacking energy: -100.738
Base-Backbone interact. energy: -1.562
local terms energy: -131.702943
where:
bonds (distance) C4'-P energy: -29.432
bonds (distance) P-C4' energy: -29.608
flat angles C4'-P-C4' energy: -23.001
flat angles P-C4'-P energy: -22.415
tors. eta vs tors. theta energy: -27.247
Dist. restrs. and SS energy: 0.370 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -380.864984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.864984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.264437 (E_RNA)
where:
Base-Base interactions energy: -256.288
where: short stacking energy: -105.229
Base-Backbone interact. energy: -0.291
local terms energy: -124.685138
where:
bonds (distance) C4'-P energy: -28.762
bonds (distance) P-C4' energy: -23.671
flat angles C4'-P-C4' energy: -24.723
flat angles P-C4'-P energy: -19.326
tors. eta vs tors. theta energy: -28.202
Dist. restrs. and SS energy: 0.399 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -353.763229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.763229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.775975 (E_RNA)
where:
Base-Base interactions energy: -247.606
where: short stacking energy: -97.354
Base-Backbone interact. energy: -0.081
local terms energy: -106.088695
where:
bonds (distance) C4'-P energy: -23.752
bonds (distance) P-C4' energy: -26.953
flat angles C4'-P-C4' energy: -26.610
flat angles P-C4'-P energy: -8.736
tors. eta vs tors. theta energy: -20.038
Dist. restrs. and SS energy: 0.013 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -377.850897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.850897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.423222 (E_RNA)
where:
Base-Base interactions energy: -259.389
where: short stacking energy: -105.365
Base-Backbone interact. energy: -0.335
local terms energy: -118.698898
where:
bonds (distance) C4'-P energy: -23.608
bonds (distance) P-C4' energy: -17.192
flat angles C4'-P-C4' energy: -28.032
flat angles P-C4'-P energy: -19.423
tors. eta vs tors. theta energy: -30.444
Dist. restrs. and SS energy: 0.572 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -338.199700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.199700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.318586 (E_RNA)
where:
Base-Base interactions energy: -224.396
where: short stacking energy: -96.250
Base-Backbone interact. energy: -0.229
local terms energy: -113.694032
where:
bonds (distance) C4'-P energy: -21.149
bonds (distance) P-C4' energy: -28.735
flat angles C4'-P-C4' energy: -22.061
flat angles P-C4'-P energy: -18.237
tors. eta vs tors. theta energy: -23.512
Dist. restrs. and SS energy: 0.119 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -335.527538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.527538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.002409 (E_RNA)
where:
Base-Base interactions energy: -220.005
where: short stacking energy: -94.622
Base-Backbone interact. energy: -0.668
local terms energy: -115.329252
where:
bonds (distance) C4'-P energy: -24.406
bonds (distance) P-C4' energy: -31.765
flat angles C4'-P-C4' energy: -30.625
flat angles P-C4'-P energy: -9.979
tors. eta vs tors. theta energy: -18.554
Dist. restrs. and SS energy: 0.475 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -314.350877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.350877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.677561 (E_RNA)
where:
Base-Base interactions energy: -214.246
where: short stacking energy: -76.752
Base-Backbone interact. energy: -0.150
local terms energy: -100.281683
where:
bonds (distance) C4'-P energy: -24.321
bonds (distance) P-C4' energy: -25.748
flat angles C4'-P-C4' energy: -24.329
flat angles P-C4'-P energy: -8.613
tors. eta vs tors. theta energy: -17.270
Dist. restrs. and SS energy: 0.327 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -312.741612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.741612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.594573 (E_RNA)
where:
Base-Base interactions energy: -206.122
where: short stacking energy: -89.983
Base-Backbone interact. energy: 0.841
local terms energy: -108.314000
where:
bonds (distance) C4'-P energy: -25.193
bonds (distance) P-C4' energy: -17.339
flat angles C4'-P-C4' energy: -26.858
flat angles P-C4'-P energy: -17.040
tors. eta vs tors. theta energy: -21.884
Dist. restrs. and SS energy: 0.853 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -420.523451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.523451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.855488 (E_RNA)
where:
Base-Base interactions energy: -290.146
where: short stacking energy: -117.790
Base-Backbone interact. energy: -1.349
local terms energy: -129.360035
where:
bonds (distance) C4'-P energy: -26.381
bonds (distance) P-C4' energy: -26.690
flat angles C4'-P-C4' energy: -27.512
flat angles P-C4'-P energy: -17.932
tors. eta vs tors. theta energy: -30.845
Dist. restrs. and SS energy: 0.332 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -406.327752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.327752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.652352 (E_RNA)
where:
Base-Base interactions energy: -274.685
where: short stacking energy: -114.701
Base-Backbone interact. energy: -0.998
local terms energy: -130.969372
where:
bonds (distance) C4'-P energy: -29.997
bonds (distance) P-C4' energy: -28.308
flat angles C4'-P-C4' energy: -24.562
flat angles P-C4'-P energy: -20.304
tors. eta vs tors. theta energy: -27.798
Dist. restrs. and SS energy: 0.325 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -408.218592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.218592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.570888 (E_RNA)
where:
Base-Base interactions energy: -274.274
where: short stacking energy: -108.195
Base-Backbone interact. energy: 0.086
local terms energy: -134.382699
where:
bonds (distance) C4'-P energy: -25.362
bonds (distance) P-C4' energy: -27.529
flat angles C4'-P-C4' energy: -31.819
flat angles P-C4'-P energy: -19.042
tors. eta vs tors. theta energy: -30.631
Dist. restrs. and SS energy: 0.352 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -376.854834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.854834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.106939 (E_RNA)
where:
Base-Base interactions energy: -245.944
where: short stacking energy: -100.436
Base-Backbone interact. energy: -0.759
local terms energy: -130.403808
where:
bonds (distance) C4'-P energy: -24.822
bonds (distance) P-C4' energy: -31.034
flat angles C4'-P-C4' energy: -25.830
flat angles P-C4'-P energy: -21.279
tors. eta vs tors. theta energy: -27.439
Dist. restrs. and SS energy: 0.252 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -384.181476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.181476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.483543 (E_RNA)
where:
Base-Base interactions energy: -266.560
where: short stacking energy: -111.493
Base-Backbone interact. energy: 0.319
local terms energy: -118.242416
where:
bonds (distance) C4'-P energy: -25.861
bonds (distance) P-C4' energy: -20.209
flat angles C4'-P-C4' energy: -28.310
flat angles P-C4'-P energy: -14.722
tors. eta vs tors. theta energy: -29.140
Dist. restrs. and SS energy: 0.302 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -354.435654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.435654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.768658 (E_RNA)
where:
Base-Base interactions energy: -237.734
where: short stacking energy: -102.373
Base-Backbone interact. energy: -0.723
local terms energy: -116.311866
where:
bonds (distance) C4'-P energy: -19.903
bonds (distance) P-C4' energy: -25.339
flat angles C4'-P-C4' energy: -25.930
flat angles P-C4'-P energy: -12.470
tors. eta vs tors. theta energy: -32.670
Dist. restrs. and SS energy: 0.333 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -365.258885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.258885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.539614 (E_RNA)
where:
Base-Base interactions energy: -247.935
where: short stacking energy: -99.117
Base-Backbone interact. energy: 0.821
local terms energy: -118.426092
where:
bonds (distance) C4'-P energy: -23.989
bonds (distance) P-C4' energy: -21.545
flat angles C4'-P-C4' energy: -26.140
flat angles P-C4'-P energy: -15.300
tors. eta vs tors. theta energy: -31.453
Dist. restrs. and SS energy: 0.281 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -331.121804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.121804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.554018 (E_RNA)
where:
Base-Base interactions energy: -223.901
where: short stacking energy: -85.593
Base-Backbone interact. energy: -0.400
local terms energy: -107.253752
where:
bonds (distance) C4'-P energy: -22.420
bonds (distance) P-C4' energy: -31.384
flat angles C4'-P-C4' energy: -26.385
flat angles P-C4'-P energy: -7.636
tors. eta vs tors. theta energy: -19.430
Dist. restrs. and SS energy: 0.432 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -287.675800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.675800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.931942 (E_RNA)
where:
Base-Base interactions energy: -184.332
where: short stacking energy: -59.681
Base-Backbone interact. energy: -0.660
local terms energy: -102.940482
where:
bonds (distance) C4'-P energy: -25.687
bonds (distance) P-C4' energy: -21.914
flat angles C4'-P-C4' energy: -23.463
flat angles P-C4'-P energy: -13.618
tors. eta vs tors. theta energy: -18.259
Dist. restrs. and SS energy: 0.256 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -278.154298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.154298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.047104 (E_RNA)
where:
Base-Base interactions energy: -194.244
where: short stacking energy: -76.477
Base-Backbone interact. energy: -0.182
local terms energy: -84.620583
where:
bonds (distance) C4'-P energy: -21.722
bonds (distance) P-C4' energy: -23.047
flat angles C4'-P-C4' energy: -21.844
flat angles P-C4'-P energy: -1.324
tors. eta vs tors. theta energy: -16.683
Dist. restrs. and SS energy: 0.893 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -427.268623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.268623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.308659 (E_RNA)
where:
Base-Base interactions energy: -288.896
where: short stacking energy: -115.870
Base-Backbone interact. energy: -4.053
local terms energy: -134.359674
where:
bonds (distance) C4'-P energy: -29.843
bonds (distance) P-C4' energy: -30.113
flat angles C4'-P-C4' energy: -28.773
flat angles P-C4'-P energy: -12.163
tors. eta vs tors. theta energy: -33.468
Dist. restrs. and SS energy: 0.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -409.093558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.093558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.338801 (E_RNA)
where:
Base-Base interactions energy: -280.179
where: short stacking energy: -113.680
Base-Backbone interact. energy: -0.809
local terms energy: -128.351611
where:
bonds (distance) C4'-P energy: -25.824
bonds (distance) P-C4' energy: -23.073
flat angles C4'-P-C4' energy: -30.002
flat angles P-C4'-P energy: -17.808
tors. eta vs tors. theta energy: -31.645
Dist. restrs. and SS energy: 0.245 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -386.935036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.935036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.504355 (E_RNA)
where:
Base-Base interactions energy: -265.256
where: short stacking energy: -116.943
Base-Backbone interact. energy: -1.896
local terms energy: -120.351886
where:
bonds (distance) C4'-P energy: -23.245
bonds (distance) P-C4' energy: -22.575
flat angles C4'-P-C4' energy: -28.134
flat angles P-C4'-P energy: -16.851
tors. eta vs tors. theta energy: -29.548
Dist. restrs. and SS energy: 0.569 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -390.371798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.371798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.464287 (E_RNA)
where:
Base-Base interactions energy: -263.017
where: short stacking energy: -105.048
Base-Backbone interact. energy: -0.685
local terms energy: -126.761614
where:
bonds (distance) C4'-P energy: -26.296
bonds (distance) P-C4' energy: -23.831
flat angles C4'-P-C4' energy: -26.245
flat angles P-C4'-P energy: -20.514
tors. eta vs tors. theta energy: -29.876
Dist. restrs. and SS energy: 0.092 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -364.535136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.535136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.915953 (E_RNA)
where:
Base-Base interactions energy: -247.020
where: short stacking energy: -97.569
Base-Backbone interact. energy: -0.879
local terms energy: -117.017731
where:
bonds (distance) C4'-P energy: -26.871
bonds (distance) P-C4' energy: -24.001
flat angles C4'-P-C4' energy: -26.404
flat angles P-C4'-P energy: -13.990
tors. eta vs tors. theta energy: -25.751
Dist. restrs. and SS energy: 0.381 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -361.407897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.407897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.450116 (E_RNA)
where:
Base-Base interactions energy: -242.203
where: short stacking energy: -98.847
Base-Backbone interact. energy: -0.371
local terms energy: -118.875535
where:
bonds (distance) C4'-P energy: -26.055
bonds (distance) P-C4' energy: -24.277
flat angles C4'-P-C4' energy: -22.440
flat angles P-C4'-P energy: -20.404
tors. eta vs tors. theta energy: -25.699
Dist. restrs. and SS energy: 0.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -329.062879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.062879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.102526 (E_RNA)
where:
Base-Base interactions energy: -225.899
where: short stacking energy: -85.328
Base-Backbone interact. energy: -0.289
local terms energy: -102.914402
where:
bonds (distance) C4'-P energy: -24.395
bonds (distance) P-C4' energy: -22.561
flat angles C4'-P-C4' energy: -24.900
flat angles P-C4'-P energy: -14.208
tors. eta vs tors. theta energy: -16.850
Dist. restrs. and SS energy: 0.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -344.652309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.652309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.580098 (E_RNA)
where:
Base-Base interactions energy: -232.222
where: short stacking energy: -90.428
Base-Backbone interact. energy: 1.714
local terms energy: -115.072425
where:
bonds (distance) C4'-P energy: -24.817
bonds (distance) P-C4' energy: -29.652
flat angles C4'-P-C4' energy: -19.662
flat angles P-C4'-P energy: -17.859
tors. eta vs tors. theta energy: -23.083
Dist. restrs. and SS energy: 0.928 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -323.677757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.677757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.199095 (E_RNA)
where:
Base-Base interactions energy: -220.031
where: short stacking energy: -91.289
Base-Backbone interact. energy: 2.926
local terms energy: -107.094006
where:
bonds (distance) C4'-P energy: -22.697
bonds (distance) P-C4' energy: -26.502
flat angles C4'-P-C4' energy: -22.180
flat angles P-C4'-P energy: -12.139
tors. eta vs tors. theta energy: -23.576
Dist. restrs. and SS energy: 0.521 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -269.963636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.963636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.914653 (E_RNA)
where:
Base-Base interactions energy: -178.882
where: short stacking energy: -62.668
Base-Backbone interact. energy: 2.898
local terms energy: -99.931590
where:
bonds (distance) C4'-P energy: -22.043
bonds (distance) P-C4' energy: -25.982
flat angles C4'-P-C4' energy: -21.603
flat angles P-C4'-P energy: -14.345
tors. eta vs tors. theta energy: -15.959
Dist. restrs. and SS energy: 5.951 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -426.571249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.571249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.055634 (E_RNA)
where:
Base-Base interactions energy: -287.216
where: short stacking energy: -114.501
Base-Backbone interact. energy: -3.177
local terms energy: -136.662615
where:
bonds (distance) C4'-P energy: -25.733
bonds (distance) P-C4' energy: -26.260
flat angles C4'-P-C4' energy: -29.392
flat angles P-C4'-P energy: -19.864
tors. eta vs tors. theta energy: -35.414
Dist. restrs. and SS energy: 0.484 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -386.682638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.682638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.878618 (E_RNA)
where:
Base-Base interactions energy: -259.937
where: short stacking energy: -108.720
Base-Backbone interact. energy: -1.676
local terms energy: -125.266345
where:
bonds (distance) C4'-P energy: -21.848
bonds (distance) P-C4' energy: -26.147
flat angles C4'-P-C4' energy: -27.016
flat angles P-C4'-P energy: -19.887
tors. eta vs tors. theta energy: -30.367
Dist. restrs. and SS energy: 0.196 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -385.891036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.891036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.023987 (E_RNA)
where:
Base-Base interactions energy: -263.561
where: short stacking energy: -97.202
Base-Backbone interact. energy: -0.332
local terms energy: -122.130910
where:
bonds (distance) C4'-P energy: -18.584
bonds (distance) P-C4' energy: -29.922
flat angles C4'-P-C4' energy: -23.986
flat angles P-C4'-P energy: -20.731
tors. eta vs tors. theta energy: -28.909
Dist. restrs. and SS energy: 0.133 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -374.006428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.006428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.253752 (E_RNA)
where:
Base-Base interactions energy: -251.126
where: short stacking energy: -108.520
Base-Backbone interact. energy: -0.366
local terms energy: -122.762291
where:
bonds (distance) C4'-P energy: -23.290
bonds (distance) P-C4' energy: -24.772
flat angles C4'-P-C4' energy: -26.288
flat angles P-C4'-P energy: -19.153
tors. eta vs tors. theta energy: -29.260
Dist. restrs. and SS energy: 0.247 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -365.046402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.046402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.833631 (E_RNA)
where:
Base-Base interactions energy: -239.290
where: short stacking energy: -97.103
Base-Backbone interact. energy: -0.757
local terms energy: -125.786373
where:
bonds (distance) C4'-P energy: -30.870
bonds (distance) P-C4' energy: -22.042
flat angles C4'-P-C4' energy: -24.708
flat angles P-C4'-P energy: -21.360
tors. eta vs tors. theta energy: -26.807
Dist. restrs. and SS energy: 0.787 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -365.235359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.235359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.505821 (E_RNA)
where:
Base-Base interactions energy: -248.922
where: short stacking energy: -98.760
Base-Backbone interact. energy: 0.424
local terms energy: -117.008173
where:
bonds (distance) C4'-P energy: -22.529
bonds (distance) P-C4' energy: -22.859
flat angles C4'-P-C4' energy: -23.307
flat angles P-C4'-P energy: -15.568
tors. eta vs tors. theta energy: -32.745
Dist. restrs. and SS energy: 0.270 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -342.502242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.502242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.774927 (E_RNA)
where:
Base-Base interactions energy: -239.104
where: short stacking energy: -92.224
Base-Backbone interact. energy: -0.091
local terms energy: -103.580068
where:
bonds (distance) C4'-P energy: -19.685
bonds (distance) P-C4' energy: -23.087
flat angles C4'-P-C4' energy: -19.025
flat angles P-C4'-P energy: -14.465
tors. eta vs tors. theta energy: -27.317
Dist. restrs. and SS energy: 0.273 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -326.186544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.186544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.793262 (E_RNA)
where:
Base-Base interactions energy: -224.178
where: short stacking energy: -85.895
Base-Backbone interact. energy: -0.251
local terms energy: -102.364596
where:
bonds (distance) C4'-P energy: -24.105
bonds (distance) P-C4' energy: -24.531
flat angles C4'-P-C4' energy: -17.138
flat angles P-C4'-P energy: -17.863
tors. eta vs tors. theta energy: -18.727
Dist. restrs. and SS energy: 0.607 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -335.680406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.680406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.798805 (E_RNA)
where:
Base-Base interactions energy: -232.340
where: short stacking energy: -88.518
Base-Backbone interact. energy: 0.252
local terms energy: -103.710955
where:
bonds (distance) C4'-P energy: -20.814
bonds (distance) P-C4' energy: -24.588
flat angles C4'-P-C4' energy: -23.704
flat angles P-C4'-P energy: -12.507
tors. eta vs tors. theta energy: -22.099
Dist. restrs. and SS energy: 0.118 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -283.175245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.175245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.804130 (E_RNA)
where:
Base-Base interactions energy: -185.835
where: short stacking energy: -72.490
Base-Backbone interact. energy: -0.426
local terms energy: -98.543524
where:
bonds (distance) C4'-P energy: -22.707
bonds (distance) P-C4' energy: -18.082
flat angles C4'-P-C4' energy: -25.643
flat angles P-C4'-P energy: -12.427
tors. eta vs tors. theta energy: -19.685
Dist. restrs. and SS energy: 1.629 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -397.078192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.078192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.239804 (E_RNA)
where:
Base-Base interactions energy: -268.097
where: short stacking energy: -115.197
Base-Backbone interact. energy: 0.296
local terms energy: -129.438997
where:
bonds (distance) C4'-P energy: -25.745
bonds (distance) P-C4' energy: -26.410
flat angles C4'-P-C4' energy: -31.494
flat angles P-C4'-P energy: -15.301
tors. eta vs tors. theta energy: -30.489
Dist. restrs. and SS energy: 0.162 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -413.849407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.849407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.153005 (E_RNA)
where:
Base-Base interactions energy: -282.635
where: short stacking energy: -107.859
Base-Backbone interact. energy: 0.182
local terms energy: -131.699811
where:
bonds (distance) C4'-P energy: -26.775
bonds (distance) P-C4' energy: -26.554
flat angles C4'-P-C4' energy: -29.723
flat angles P-C4'-P energy: -15.467
tors. eta vs tors. theta energy: -33.181
Dist. restrs. and SS energy: 0.304 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -379.862445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.862445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.931922 (E_RNA)
where:
Base-Base interactions energy: -264.076
where: short stacking energy: -104.983
Base-Backbone interact. energy: -0.002
local terms energy: -115.854498
where:
bonds (distance) C4'-P energy: -21.811
bonds (distance) P-C4' energy: -24.790
flat angles C4'-P-C4' energy: -27.724
flat angles P-C4'-P energy: -16.316
tors. eta vs tors. theta energy: -25.214
Dist. restrs. and SS energy: 0.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -405.120882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.120882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.292697 (E_RNA)
where:
Base-Base interactions energy: -278.808
where: short stacking energy: -111.338
Base-Backbone interact. energy: 2.364
local terms energy: -128.848539
where:
bonds (distance) C4'-P energy: -23.795
bonds (distance) P-C4' energy: -27.729
flat angles C4'-P-C4' energy: -29.202
flat angles P-C4'-P energy: -15.711
tors. eta vs tors. theta energy: -32.411
Dist. restrs. and SS energy: 0.172 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -369.286688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.286688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.031275 (E_RNA)
where:
Base-Base interactions energy: -246.467
where: short stacking energy: -98.582
Base-Backbone interact. energy: 2.390
local terms energy: -125.954583
where:
bonds (distance) C4'-P energy: -23.738
bonds (distance) P-C4' energy: -27.748
flat angles C4'-P-C4' energy: -28.276
flat angles P-C4'-P energy: -17.317
tors. eta vs tors. theta energy: -28.875
Dist. restrs. and SS energy: 0.745 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -369.310997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.310997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.402375 (E_RNA)
where:
Base-Base interactions energy: -244.308
where: short stacking energy: -99.991
Base-Backbone interact. energy: -0.433
local terms energy: -124.661364
where:
bonds (distance) C4'-P energy: -27.572
bonds (distance) P-C4' energy: -23.084
flat angles C4'-P-C4' energy: -24.158
flat angles P-C4'-P energy: -20.725
tors. eta vs tors. theta energy: -29.123
Dist. restrs. and SS energy: 0.091 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -339.500613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.500613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.575722 (E_RNA)
where:
Base-Base interactions energy: -227.421
where: short stacking energy: -99.120
Base-Backbone interact. energy: -0.699
local terms energy: -111.455656
where:
bonds (distance) C4'-P energy: -20.215
bonds (distance) P-C4' energy: -27.103
flat angles C4'-P-C4' energy: -23.864
flat angles P-C4'-P energy: -13.416
tors. eta vs tors. theta energy: -26.859
Dist. restrs. and SS energy: 0.075 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -340.992293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.992293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.065247 (E_RNA)
where:
Base-Base interactions energy: -232.513
where: short stacking energy: -82.461
Base-Backbone interact. energy: -0.523
local terms energy: -108.029073
where:
bonds (distance) C4'-P energy: -24.237
bonds (distance) P-C4' energy: -19.105
flat angles C4'-P-C4' energy: -26.522
flat angles P-C4'-P energy: -14.056
tors. eta vs tors. theta energy: -24.109
Dist. restrs. and SS energy: 0.073 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -329.030767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.030767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.457878 (E_RNA)
where:
Base-Base interactions energy: -231.404
where: short stacking energy: -85.649
Base-Backbone interact. energy: -1.082
local terms energy: -96.971562
where:
bonds (distance) C4'-P energy: -21.058
bonds (distance) P-C4' energy: -15.353
flat angles C4'-P-C4' energy: -23.048
flat angles P-C4'-P energy: -15.303
tors. eta vs tors. theta energy: -22.210
Dist. restrs. and SS energy: 0.427 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -289.815268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.815268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.817267 (E_RNA)
where:
Base-Base interactions energy: -190.725
where: short stacking energy: -68.031
Base-Backbone interact. energy: -0.649
local terms energy: -99.442980
where:
bonds (distance) C4'-P energy: -21.034
bonds (distance) P-C4' energy: -27.279
flat angles C4'-P-C4' energy: -24.217
flat angles P-C4'-P energy: -11.682
tors. eta vs tors. theta energy: -15.231
Dist. restrs. and SS energy: 1.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -408.427328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.427328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.521742 (E_RNA)
where:
Base-Base interactions energy: -271.935
where: short stacking energy: -117.974
Base-Backbone interact. energy: -1.871
local terms energy: -134.715834
where:
bonds (distance) C4'-P energy: -23.119
bonds (distance) P-C4' energy: -27.122
flat angles C4'-P-C4' energy: -30.358
flat angles P-C4'-P energy: -18.597
tors. eta vs tors. theta energy: -35.519
Dist. restrs. and SS energy: 0.094 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -418.570931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.570931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.880453 (E_RNA)
where:
Base-Base interactions energy: -274.819
where: short stacking energy: -114.413
Base-Backbone interact. energy: -0.258
local terms energy: -143.802637
where:
bonds (distance) C4'-P energy: -29.793
bonds (distance) P-C4' energy: -32.062
flat angles C4'-P-C4' energy: -28.129
flat angles P-C4'-P energy: -19.015
tors. eta vs tors. theta energy: -34.803
Dist. restrs. and SS energy: 0.310 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -387.359281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.359281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.414033 (E_RNA)
where:
Base-Base interactions energy: -268.489
where: short stacking energy: -111.259
Base-Backbone interact. energy: -0.229
local terms energy: -118.696403
where:
bonds (distance) C4'-P energy: -24.432
bonds (distance) P-C4' energy: -24.791
flat angles C4'-P-C4' energy: -27.650
flat angles P-C4'-P energy: -11.687
tors. eta vs tors. theta energy: -30.136
Dist. restrs. and SS energy: 0.055 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -379.999274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.999274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.139440 (E_RNA)
where:
Base-Base interactions energy: -251.059
where: short stacking energy: -110.309
Base-Backbone interact. energy: -0.461
local terms energy: -128.618537
where:
bonds (distance) C4'-P energy: -29.180
bonds (distance) P-C4' energy: -22.491
flat angles C4'-P-C4' energy: -21.879
flat angles P-C4'-P energy: -20.527
tors. eta vs tors. theta energy: -34.541
Dist. restrs. and SS energy: 0.140 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -388.144246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.144246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.532717 (E_RNA)
where:
Base-Base interactions energy: -270.689
where: short stacking energy: -111.513
Base-Backbone interact. energy: -1.002
local terms energy: -116.841750
where:
bonds (distance) C4'-P energy: -20.226
bonds (distance) P-C4' energy: -22.644
flat angles C4'-P-C4' energy: -27.163
flat angles P-C4'-P energy: -15.231
tors. eta vs tors. theta energy: -31.577
Dist. restrs. and SS energy: 0.388 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -370.872101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.872101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.130213 (E_RNA)
where:
Base-Base interactions energy: -253.482
where: short stacking energy: -101.492
Base-Backbone interact. energy: 1.344
local terms energy: -118.991814
where:
bonds (distance) C4'-P energy: -26.167
bonds (distance) P-C4' energy: -25.331
flat angles C4'-P-C4' energy: -24.439
flat angles P-C4'-P energy: -17.393
tors. eta vs tors. theta energy: -25.662
Dist. restrs. and SS energy: 0.258 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -340.799934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.799934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.843406 (E_RNA)
where:
Base-Base interactions energy: -229.824
where: short stacking energy: -90.910
Base-Backbone interact. energy: -1.487
local terms energy: -109.532213
where:
bonds (distance) C4'-P energy: -23.787
bonds (distance) P-C4' energy: -26.800
flat angles C4'-P-C4' energy: -24.025
flat angles P-C4'-P energy: -14.081
tors. eta vs tors. theta energy: -20.840
Dist. restrs. and SS energy: 0.043 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -346.267446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.267446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.461926 (E_RNA)
where:
Base-Base interactions energy: -236.926
where: short stacking energy: -85.482
Base-Backbone interact. energy: -0.466
local terms energy: -109.070155
where:
bonds (distance) C4'-P energy: -28.035
bonds (distance) P-C4' energy: -19.278
flat angles C4'-P-C4' energy: -28.466
flat angles P-C4'-P energy: -16.162
tors. eta vs tors. theta energy: -17.130
Dist. restrs. and SS energy: 0.194 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -335.339211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.339211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.102958 (E_RNA)
where:
Base-Base interactions energy: -227.879
where: short stacking energy: -82.727
Base-Backbone interact. energy: 0.361
local terms energy: -108.584244
where:
bonds (distance) C4'-P energy: -26.911
bonds (distance) P-C4' energy: -26.748
flat angles C4'-P-C4' energy: -23.779
flat angles P-C4'-P energy: -13.240
tors. eta vs tors. theta energy: -17.905
Dist. restrs. and SS energy: 0.764 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -325.372477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.372477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.265279 (E_RNA)
where:
Base-Base interactions energy: -222.781
where: short stacking energy: -92.256
Base-Backbone interact. energy: -1.388
local terms energy: -102.096231
where:
bonds (distance) C4'-P energy: -11.304
bonds (distance) P-C4' energy: -24.326
flat angles C4'-P-C4' energy: -26.375
flat angles P-C4'-P energy: -14.561
tors. eta vs tors. theta energy: -25.531
Dist. restrs. and SS energy: 0.893 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -404.650748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.650748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.092997 (E_RNA)
where:
Base-Base interactions energy: -277.243
where: short stacking energy: -110.181
Base-Backbone interact. energy: -0.912
local terms energy: -126.938914
where:
bonds (distance) C4'-P energy: -27.976
bonds (distance) P-C4' energy: -27.829
flat angles C4'-P-C4' energy: -28.939
flat angles P-C4'-P energy: -15.399
tors. eta vs tors. theta energy: -26.796
Dist. restrs. and SS energy: 0.442 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -407.488054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.488054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.599845 (E_RNA)
where:
Base-Base interactions energy: -276.290
where: short stacking energy: -118.258
Base-Backbone interact. energy: -0.308
local terms energy: -131.001582
where:
bonds (distance) C4'-P energy: -22.657
bonds (distance) P-C4' energy: -32.707
flat angles C4'-P-C4' energy: -29.092
flat angles P-C4'-P energy: -16.429
tors. eta vs tors. theta energy: -30.117
Dist. restrs. and SS energy: 0.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -390.649056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.649056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.270397 (E_RNA)
where:
Base-Base interactions energy: -255.215
where: short stacking energy: -115.240
Base-Backbone interact. energy: -0.514
local terms energy: -135.541408
where:
bonds (distance) C4'-P energy: -28.005
bonds (distance) P-C4' energy: -27.258
flat angles C4'-P-C4' energy: -28.814
flat angles P-C4'-P energy: -17.556
tors. eta vs tors. theta energy: -33.908
Dist. restrs. and SS energy: 0.621 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -369.732454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.732454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.855844 (E_RNA)
where:
Base-Base interactions energy: -247.024
where: short stacking energy: -101.807
Base-Backbone interact. energy: 0.223
local terms energy: -123.055544
where:
bonds (distance) C4'-P energy: -24.086
bonds (distance) P-C4' energy: -22.765
flat angles C4'-P-C4' energy: -28.562
flat angles P-C4'-P energy: -19.991
tors. eta vs tors. theta energy: -27.652
Dist. restrs. and SS energy: 0.123 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -384.786314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.786314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.574797 (E_RNA)
where:
Base-Base interactions energy: -262.563
where: short stacking energy: -106.861
Base-Backbone interact. energy: -0.275
local terms energy: -122.737089
where:
bonds (distance) C4'-P energy: -24.491
bonds (distance) P-C4' energy: -31.030
flat angles C4'-P-C4' energy: -22.775
flat angles P-C4'-P energy: -12.155
tors. eta vs tors. theta energy: -32.286
Dist. restrs. and SS energy: 0.788 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -365.121297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.121297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.298450 (E_RNA)
where:
Base-Base interactions energy: -245.500
where: short stacking energy: -87.865
Base-Backbone interact. energy: -0.938
local terms energy: -118.860209
where:
bonds (distance) C4'-P energy: -25.500
bonds (distance) P-C4' energy: -26.555
flat angles C4'-P-C4' energy: -22.892
flat angles P-C4'-P energy: -18.241
tors. eta vs tors. theta energy: -25.672
Dist. restrs. and SS energy: 0.177 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -347.666316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.666316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.770137 (E_RNA)
where:
Base-Base interactions energy: -236.629
where: short stacking energy: -92.136
Base-Backbone interact. energy: -0.639
local terms energy: -110.502275
where:
bonds (distance) C4'-P energy: -17.977
bonds (distance) P-C4' energy: -17.820
flat angles C4'-P-C4' energy: -30.280
flat angles P-C4'-P energy: -16.256
tors. eta vs tors. theta energy: -28.169
Dist. restrs. and SS energy: 0.104 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -348.059323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.059323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.171158 (E_RNA)
where:
Base-Base interactions energy: -231.573
where: short stacking energy: -83.739
Base-Backbone interact. energy: -0.580
local terms energy: -116.018420
where:
bonds (distance) C4'-P energy: -23.463
bonds (distance) P-C4' energy: -27.767
flat angles C4'-P-C4' energy: -29.183
flat angles P-C4'-P energy: -14.624
tors. eta vs tors. theta energy: -20.982
Dist. restrs. and SS energy: 0.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -331.295782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.295782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.187567 (E_RNA)
where:
Base-Base interactions energy: -227.207
where: short stacking energy: -80.065
Base-Backbone interact. energy: -0.487
local terms energy: -104.493408
where:
bonds (distance) C4'-P energy: -18.923
bonds (distance) P-C4' energy: -21.890
flat angles C4'-P-C4' energy: -25.080
flat angles P-C4'-P energy: -13.345
tors. eta vs tors. theta energy: -25.255
Dist. restrs. and SS energy: 0.892 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -344.614623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.614623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.789052 (E_RNA)
where:
Base-Base interactions energy: -243.818
where: short stacking energy: -86.936
Base-Backbone interact. energy: -0.968
local terms energy: -100.003280
where:
bonds (distance) C4'-P energy: -25.457
bonds (distance) P-C4' energy: -19.615
flat angles C4'-P-C4' energy: -17.269
flat angles P-C4'-P energy: -11.914
tors. eta vs tors. theta energy: -25.747
Dist. restrs. and SS energy: 0.174 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -418.562834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.562834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.598905 (E_RNA)
where:
Base-Base interactions energy: -287.725
where: short stacking energy: -122.579
Base-Backbone interact. energy: -0.266
local terms energy: -130.607917
where:
bonds (distance) C4'-P energy: -28.096
bonds (distance) P-C4' energy: -27.585
flat angles C4'-P-C4' energy: -28.521
flat angles P-C4'-P energy: -12.623
tors. eta vs tors. theta energy: -33.784
Dist. restrs. and SS energy: 0.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -425.851200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.851200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.946174 (E_RNA)
where:
Base-Base interactions energy: -294.864
where: short stacking energy: -126.407
Base-Backbone interact. energy: 0.411
local terms energy: -131.493036
where:
bonds (distance) C4'-P energy: -21.306
bonds (distance) P-C4' energy: -26.968
flat angles C4'-P-C4' energy: -29.839
flat angles P-C4'-P energy: -13.419
tors. eta vs tors. theta energy: -39.960
Dist. restrs. and SS energy: 0.095 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -398.664235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.664235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.883372 (E_RNA)
where:
Base-Base interactions energy: -269.226
where: short stacking energy: -113.663
Base-Backbone interact. energy: -3.037
local terms energy: -126.620191
where:
bonds (distance) C4'-P energy: -25.177
bonds (distance) P-C4' energy: -25.959
flat angles C4'-P-C4' energy: -24.631
flat angles P-C4'-P energy: -17.382
tors. eta vs tors. theta energy: -33.472
Dist. restrs. and SS energy: 0.219 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -399.322431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.322431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.669847 (E_RNA)
where:
Base-Base interactions energy: -268.733
where: short stacking energy: -111.282
Base-Backbone interact. energy: -0.220
local terms energy: -130.716450
where:
bonds (distance) C4'-P energy: -26.237
bonds (distance) P-C4' energy: -25.340
flat angles C4'-P-C4' energy: -29.648
flat angles P-C4'-P energy: -19.743
tors. eta vs tors. theta energy: -29.748
Dist. restrs. and SS energy: 0.347 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -375.378368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.378368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.998778 (E_RNA)
where:
Base-Base interactions energy: -262.191
where: short stacking energy: -114.490
Base-Backbone interact. energy: -0.045
local terms energy: -113.762835
where:
bonds (distance) C4'-P energy: -25.845
bonds (distance) P-C4' energy: -26.521
flat angles C4'-P-C4' energy: -21.563
flat angles P-C4'-P energy: -8.189
tors. eta vs tors. theta energy: -31.645
Dist. restrs. and SS energy: 0.620 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -356.477849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.477849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.891707 (E_RNA)
where:
Base-Base interactions energy: -230.466
where: short stacking energy: -88.660
Base-Backbone interact. energy: -0.054
local terms energy: -126.371552
where:
bonds (distance) C4'-P energy: -21.203
bonds (distance) P-C4' energy: -28.107
flat angles C4'-P-C4' energy: -28.726
flat angles P-C4'-P energy: -18.284
tors. eta vs tors. theta energy: -30.052
Dist. restrs. and SS energy: 0.414 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -326.248624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.248624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.459151 (E_RNA)
where:
Base-Base interactions energy: -219.318
where: short stacking energy: -78.850
Base-Backbone interact. energy: -0.900
local terms energy: -106.241156
where:
bonds (distance) C4'-P energy: -24.996
bonds (distance) P-C4' energy: -19.660
flat angles C4'-P-C4' energy: -26.590
flat angles P-C4'-P energy: -11.592
tors. eta vs tors. theta energy: -23.403
Dist. restrs. and SS energy: 0.211 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -323.406993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.406993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.594985 (E_RNA)
where:
Base-Base interactions energy: -221.055
where: short stacking energy: -84.763
Base-Backbone interact. energy: -0.437
local terms energy: -102.102900
where:
bonds (distance) C4'-P energy: -21.473
bonds (distance) P-C4' energy: -14.150
flat angles C4'-P-C4' energy: -27.376
flat angles P-C4'-P energy: -17.141
tors. eta vs tors. theta energy: -21.963
Dist. restrs. and SS energy: 0.188 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -337.395714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.395714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.056425 (E_RNA)
where:
Base-Base interactions energy: -243.761
where: short stacking energy: -93.409
Base-Backbone interact. energy: 5.524
local terms energy: -99.820006
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -22.950
flat angles C4'-P-C4' energy: -26.468
flat angles P-C4'-P energy: -13.688
tors. eta vs tors. theta energy: -22.388
Dist. restrs. and SS energy: 0.661 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -338.327302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.327302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.522526 (E_RNA)
where:
Base-Base interactions energy: -224.950
where: short stacking energy: -83.348
Base-Backbone interact. energy: -1.830
local terms energy: -111.741834
where:
bonds (distance) C4'-P energy: -23.255
bonds (distance) P-C4' energy: -29.826
flat angles C4'-P-C4' energy: -26.547
flat angles P-C4'-P energy: -12.111
tors. eta vs tors. theta energy: -20.003
Dist. restrs. and SS energy: 0.195 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -401.689818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.689818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.759961 (E_RNA)
where:
Base-Base interactions energy: -272.015
where: short stacking energy: -109.048
Base-Backbone interact. energy: -0.068
local terms energy: -129.677730
where:
bonds (distance) C4'-P energy: -25.551
bonds (distance) P-C4' energy: -30.792
flat angles C4'-P-C4' energy: -29.336
flat angles P-C4'-P energy: -13.807
tors. eta vs tors. theta energy: -30.192
Dist. restrs. and SS energy: 0.070 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -416.239419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.239419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.398919 (E_RNA)
where:
Base-Base interactions energy: -281.004
where: short stacking energy: -111.026
Base-Backbone interact. energy: -0.661
local terms energy: -134.734664
where:
bonds (distance) C4'-P energy: -28.850
bonds (distance) P-C4' energy: -28.001
flat angles C4'-P-C4' energy: -28.259
flat angles P-C4'-P energy: -19.262
tors. eta vs tors. theta energy: -30.363
Dist. restrs. and SS energy: 0.159 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -391.609588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.609588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.697356 (E_RNA)
where:
Base-Base interactions energy: -267.233
where: short stacking energy: -111.393
Base-Backbone interact. energy: -1.229
local terms energy: -123.235582
where:
bonds (distance) C4'-P energy: -24.420
bonds (distance) P-C4' energy: -25.738
flat angles C4'-P-C4' energy: -24.680
flat angles P-C4'-P energy: -14.194
tors. eta vs tors. theta energy: -34.204
Dist. restrs. and SS energy: 0.088 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -399.927988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.927988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.314165 (E_RNA)
where:
Base-Base interactions energy: -261.206
where: short stacking energy: -107.104
Base-Backbone interact. energy: -0.837
local terms energy: -138.270786
where:
bonds (distance) C4'-P energy: -26.332
bonds (distance) P-C4' energy: -28.405
flat angles C4'-P-C4' energy: -30.371
flat angles P-C4'-P energy: -18.278
tors. eta vs tors. theta energy: -34.885
Dist. restrs. and SS energy: 0.386 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -362.711520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.711520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.785650 (E_RNA)
where:
Base-Base interactions energy: -247.545
where: short stacking energy: -104.433
Base-Backbone interact. energy: 0.268
local terms energy: -115.509605
where:
bonds (distance) C4'-P energy: -25.671
bonds (distance) P-C4' energy: -17.065
flat angles C4'-P-C4' energy: -25.114
flat angles P-C4'-P energy: -15.515
tors. eta vs tors. theta energy: -32.146
Dist. restrs. and SS energy: 0.074 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -366.132907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.132907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.191295 (E_RNA)
where:
Base-Base interactions energy: -245.758
where: short stacking energy: -96.868
Base-Backbone interact. energy: -1.128
local terms energy: -119.304783
where:
bonds (distance) C4'-P energy: -23.779
bonds (distance) P-C4' energy: -25.396
flat angles C4'-P-C4' energy: -23.844
flat angles P-C4'-P energy: -17.612
tors. eta vs tors. theta energy: -28.674
Dist. restrs. and SS energy: 0.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -339.677997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.677997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.305564 (E_RNA)
where:
Base-Base interactions energy: -222.736
where: short stacking energy: -82.170
Base-Backbone interact. energy: -0.344
local terms energy: -117.225239
where:
bonds (distance) C4'-P energy: -21.014
bonds (distance) P-C4' energy: -24.960
flat angles C4'-P-C4' energy: -27.744
flat angles P-C4'-P energy: -19.312
tors. eta vs tors. theta energy: -24.195
Dist. restrs. and SS energy: 0.628 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -337.643846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.643846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.045443 (E_RNA)
where:
Base-Base interactions energy: -222.463
where: short stacking energy: -91.230
Base-Backbone interact. energy: 2.659
local terms energy: -118.240901
where:
bonds (distance) C4'-P energy: -27.695
bonds (distance) P-C4' energy: -28.034
flat angles C4'-P-C4' energy: -30.752
flat angles P-C4'-P energy: -6.943
tors. eta vs tors. theta energy: -24.817
Dist. restrs. and SS energy: 0.402 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -345.637127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.637127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.865789 (E_RNA)
where:
Base-Base interactions energy: -217.234
where: short stacking energy: -73.709
Base-Backbone interact. energy: 0.431
local terms energy: -129.063049
where:
bonds (distance) C4'-P energy: -29.421
bonds (distance) P-C4' energy: -30.342
flat angles C4'-P-C4' energy: -24.928
flat angles P-C4'-P energy: -21.654
tors. eta vs tors. theta energy: -22.719
Dist. restrs. and SS energy: 0.229 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -314.137765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.137765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.128998 (E_RNA)
where:
Base-Base interactions energy: -205.290
where: short stacking energy: -83.321
Base-Backbone interact. energy: -0.688
local terms energy: -109.151408
where:
bonds (distance) C4'-P energy: -13.478
bonds (distance) P-C4' energy: -24.847
flat angles C4'-P-C4' energy: -26.137
flat angles P-C4'-P energy: -20.836
tors. eta vs tors. theta energy: -23.853
Dist. restrs. and SS energy: 0.991 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -397.337121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.337121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.474556 (E_RNA)
where:
Base-Base interactions energy: -268.289
where: short stacking energy: -118.147
Base-Backbone interact. energy: -1.344
local terms energy: -127.841898
where:
bonds (distance) C4'-P energy: -34.185
bonds (distance) P-C4' energy: -25.156
flat angles C4'-P-C4' energy: -21.862
flat angles P-C4'-P energy: -21.394
tors. eta vs tors. theta energy: -25.244
Dist. restrs. and SS energy: 0.137 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -394.274671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.274671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.446546 (E_RNA)
where:
Base-Base interactions energy: -263.791
where: short stacking energy: -108.858
Base-Backbone interact. energy: -1.222
local terms energy: -129.432847
where:
bonds (distance) C4'-P energy: -25.798
bonds (distance) P-C4' energy: -30.695
flat angles C4'-P-C4' energy: -24.507
flat angles P-C4'-P energy: -19.190
tors. eta vs tors. theta energy: -29.242
Dist. restrs. and SS energy: 0.172 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -402.141490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.141490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.267605 (E_RNA)
where:
Base-Base interactions energy: -274.330
where: short stacking energy: -126.396
Base-Backbone interact. energy: -1.323
local terms energy: -126.614662
where:
bonds (distance) C4'-P energy: -23.999
bonds (distance) P-C4' energy: -21.699
flat angles C4'-P-C4' energy: -29.560
flat angles P-C4'-P energy: -19.410
tors. eta vs tors. theta energy: -31.947
Dist. restrs. and SS energy: 0.126 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -396.924409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.924409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.144983 (E_RNA)
where:
Base-Base interactions energy: -269.001
where: short stacking energy: -102.867
Base-Backbone interact. energy: -0.872
local terms energy: -127.272613
where:
bonds (distance) C4'-P energy: -24.793
bonds (distance) P-C4' energy: -26.379
flat angles C4'-P-C4' energy: -27.818
flat angles P-C4'-P energy: -14.684
tors. eta vs tors. theta energy: -33.598
Dist. restrs. and SS energy: 0.221 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -372.995042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.995042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.268965 (E_RNA)
where:
Base-Base interactions energy: -255.556
where: short stacking energy: -102.830
Base-Backbone interact. energy: -0.530
local terms energy: -117.183048
where:
bonds (distance) C4'-P energy: -26.098
bonds (distance) P-C4' energy: -19.583
flat angles C4'-P-C4' energy: -24.638
flat angles P-C4'-P energy: -15.143
tors. eta vs tors. theta energy: -31.722
Dist. restrs. and SS energy: 0.274 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -349.618740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.618740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.349437 (E_RNA)
where:
Base-Base interactions energy: -227.446
where: short stacking energy: -98.621
Base-Backbone interact. energy: -0.523
local terms energy: -122.380292
where:
bonds (distance) C4'-P energy: -27.546
bonds (distance) P-C4' energy: -30.651
flat angles C4'-P-C4' energy: -24.650
flat angles P-C4'-P energy: -14.250
tors. eta vs tors. theta energy: -25.283
Dist. restrs. and SS energy: 0.731 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -353.883066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.883066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.912051 (E_RNA)
where:
Base-Base interactions energy: -240.506
where: short stacking energy: -99.339
Base-Backbone interact. energy: -0.707
local terms energy: -112.698531
where:
bonds (distance) C4'-P energy: -24.105
bonds (distance) P-C4' energy: -25.548
flat angles C4'-P-C4' energy: -24.964
flat angles P-C4'-P energy: -13.230
tors. eta vs tors. theta energy: -24.851
Dist. restrs. and SS energy: 0.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -352.935496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.935496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.681264 (E_RNA)
where:
Base-Base interactions energy: -238.370
where: short stacking energy: -90.829
Base-Backbone interact. energy: -1.772
local terms energy: -113.539190
where:
bonds (distance) C4'-P energy: -24.875
bonds (distance) P-C4' energy: -23.382
flat angles C4'-P-C4' energy: -26.392
flat angles P-C4'-P energy: -12.269
tors. eta vs tors. theta energy: -26.621
Dist. restrs. and SS energy: 0.746 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -335.096019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.096019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.286482 (E_RNA)
where:
Base-Base interactions energy: -230.608
where: short stacking energy: -91.371
Base-Backbone interact. energy: -0.938
local terms energy: -103.740569
where:
bonds (distance) C4'-P energy: -22.721
bonds (distance) P-C4' energy: -18.430
flat angles C4'-P-C4' energy: -24.452
flat angles P-C4'-P energy: -11.368
tors. eta vs tors. theta energy: -26.770
Dist. restrs. and SS energy: 0.190 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -310.585422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.585422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.814905 (E_RNA)
where:
Base-Base interactions energy: -214.771
where: short stacking energy: -85.757
Base-Backbone interact. energy: -0.044
local terms energy: -96.000120
where:
bonds (distance) C4'-P energy: -20.120
bonds (distance) P-C4' energy: -21.269
flat angles C4'-P-C4' energy: -14.154
flat angles P-C4'-P energy: -14.808
tors. eta vs tors. theta energy: -25.649
Dist. restrs. and SS energy: 0.229 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -400.569587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.569587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.598389 (E_RNA)
where:
Base-Base interactions energy: -274.944
where: short stacking energy: -116.305
Base-Backbone interact. energy: -0.460
local terms energy: -125.193596
where:
bonds (distance) C4'-P energy: -24.322
bonds (distance) P-C4' energy: -27.744
flat angles C4'-P-C4' energy: -26.420
flat angles P-C4'-P energy: -20.890
tors. eta vs tors. theta energy: -25.817
Dist. restrs. and SS energy: 0.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -377.934263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.934263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.085938 (E_RNA)
where:
Base-Base interactions energy: -254.275
where: short stacking energy: -100.121
Base-Backbone interact. energy: -0.206
local terms energy: -123.604698
where:
bonds (distance) C4'-P energy: -24.148
bonds (distance) P-C4' energy: -27.317
flat angles C4'-P-C4' energy: -27.480
flat angles P-C4'-P energy: -12.423
tors. eta vs tors. theta energy: -32.237
Dist. restrs. and SS energy: 0.152 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -406.393226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.393226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.617494 (E_RNA)
where:
Base-Base interactions energy: -288.315
where: short stacking energy: -110.474
Base-Backbone interact. energy: -0.491
local terms energy: -117.812270
where:
bonds (distance) C4'-P energy: -24.333
bonds (distance) P-C4' energy: -24.416
flat angles C4'-P-C4' energy: -23.981
flat angles P-C4'-P energy: -14.584
tors. eta vs tors. theta energy: -30.498
Dist. restrs. and SS energy: 0.224 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -397.732947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.732947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.859465 (E_RNA)
where:
Base-Base interactions energy: -276.730
where: short stacking energy: -108.234
Base-Backbone interact. energy: -0.439
local terms energy: -120.689961
where:
bonds (distance) C4'-P energy: -17.247
bonds (distance) P-C4' energy: -29.462
flat angles C4'-P-C4' energy: -25.635
flat angles P-C4'-P energy: -19.975
tors. eta vs tors. theta energy: -28.371
Dist. restrs. and SS energy: 0.127 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -363.573755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.573755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.034216 (E_RNA)
where:
Base-Base interactions energy: -242.589
where: short stacking energy: -91.290
Base-Backbone interact. energy: -0.521
local terms energy: -120.924829
where:
bonds (distance) C4'-P energy: -27.065
bonds (distance) P-C4' energy: -27.713
flat angles C4'-P-C4' energy: -18.359
flat angles P-C4'-P energy: -22.662
tors. eta vs tors. theta energy: -25.126
Dist. restrs. and SS energy: 0.460 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -364.559849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.559849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.612876 (E_RNA)
where:
Base-Base interactions energy: -247.156
where: short stacking energy: -98.962
Base-Backbone interact. energy: -0.316
local terms energy: -117.140824
where:
bonds (distance) C4'-P energy: -21.970
bonds (distance) P-C4' energy: -22.565
flat angles C4'-P-C4' energy: -31.418
flat angles P-C4'-P energy: -11.749
tors. eta vs tors. theta energy: -29.439
Dist. restrs. and SS energy: 0.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -355.694704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.694704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.949803 (E_RNA)
where:
Base-Base interactions energy: -249.014
where: short stacking energy: -101.822
Base-Backbone interact. energy: -0.660
local terms energy: -106.275653
where:
bonds (distance) C4'-P energy: -22.453
bonds (distance) P-C4' energy: -18.815
flat angles C4'-P-C4' energy: -23.653
flat angles P-C4'-P energy: -9.436
tors. eta vs tors. theta energy: -31.918
Dist. restrs. and SS energy: 0.255 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -330.015310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.015310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.291895 (E_RNA)
where:
Base-Base interactions energy: -220.046
where: short stacking energy: -84.204
Base-Backbone interact. energy: -0.250
local terms energy: -109.996286
where:
bonds (distance) C4'-P energy: -18.439
bonds (distance) P-C4' energy: -28.449
flat angles C4'-P-C4' energy: -27.989
flat angles P-C4'-P energy: -16.774
tors. eta vs tors. theta energy: -18.346
Dist. restrs. and SS energy: 0.277 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -297.794072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.794072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.188985 (E_RNA)
where:
Base-Base interactions energy: -208.891
where: short stacking energy: -79.597
Base-Backbone interact. energy: 0.519
local terms energy: -89.816738
where:
bonds (distance) C4'-P energy: -20.827
bonds (distance) P-C4' energy: -22.389
flat angles C4'-P-C4' energy: -18.165
flat angles P-C4'-P energy: -9.627
tors. eta vs tors. theta energy: -18.809
Dist. restrs. and SS energy: 0.395 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -328.739293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.739293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.942648 (E_RNA)
where:
Base-Base interactions energy: -227.884
where: short stacking energy: -82.523
Base-Backbone interact. energy: -0.196
local terms energy: -100.862799
where:
bonds (distance) C4'-P energy: -18.699
bonds (distance) P-C4' energy: -22.496
flat angles C4'-P-C4' energy: -17.437
flat angles P-C4'-P energy: -18.479
tors. eta vs tors. theta energy: -23.752
Dist. restrs. and SS energy: 0.203 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -396.322008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.322008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.443973 (E_RNA)
where:
Base-Base interactions energy: -257.799
where: short stacking energy: -113.596
Base-Backbone interact. energy: -0.806
local terms energy: -137.838501
where:
bonds (distance) C4'-P energy: -29.218
bonds (distance) P-C4' energy: -28.777
flat angles C4'-P-C4' energy: -30.039
flat angles P-C4'-P energy: -15.567
tors. eta vs tors. theta energy: -34.237
Dist. restrs. and SS energy: 0.122 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -415.760253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.760253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.075322 (E_RNA)
where:
Base-Base interactions energy: -280.683
where: short stacking energy: -122.602
Base-Backbone interact. energy: -0.710
local terms energy: -134.681830
where:
bonds (distance) C4'-P energy: -27.164
bonds (distance) P-C4' energy: -25.651
flat angles C4'-P-C4' energy: -29.384
flat angles P-C4'-P energy: -14.857
tors. eta vs tors. theta energy: -37.626
Dist. restrs. and SS energy: 0.315 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -387.463482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.463482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.918023 (E_RNA)
where:
Base-Base interactions energy: -254.802
where: short stacking energy: -98.394
Base-Backbone interact. energy: -0.871
local terms energy: -132.245160
where:
bonds (distance) C4'-P energy: -27.127
bonds (distance) P-C4' energy: -28.812
flat angles C4'-P-C4' energy: -32.473
flat angles P-C4'-P energy: -16.466
tors. eta vs tors. theta energy: -27.367
Dist. restrs. and SS energy: 0.455 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -401.463102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.463102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.368938 (E_RNA)
where:
Base-Base interactions energy: -269.393
where: short stacking energy: -116.320
Base-Backbone interact. energy: -2.297
local terms energy: -130.678839
where:
bonds (distance) C4'-P energy: -25.097
bonds (distance) P-C4' energy: -27.343
flat angles C4'-P-C4' energy: -27.026
flat angles P-C4'-P energy: -19.314
tors. eta vs tors. theta energy: -31.898
Dist. restrs. and SS energy: 0.906 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -353.395190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.395190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.504731 (E_RNA)
where:
Base-Base interactions energy: -236.712
where: short stacking energy: -86.592
Base-Backbone interact. energy: 0.215
local terms energy: -117.008239
where:
bonds (distance) C4'-P energy: -25.268
bonds (distance) P-C4' energy: -31.041
flat angles C4'-P-C4' energy: -29.019
flat angles P-C4'-P energy: -12.955
tors. eta vs tors. theta energy: -18.726
Dist. restrs. and SS energy: 0.110 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -349.477635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.477635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.107849 (E_RNA)
where:
Base-Base interactions energy: -219.849
where: short stacking energy: -80.513
Base-Backbone interact. energy: -0.740
local terms energy: -129.519044
where:
bonds (distance) C4'-P energy: -25.674
bonds (distance) P-C4' energy: -31.687
flat angles C4'-P-C4' energy: -24.701
flat angles P-C4'-P energy: -19.901
tors. eta vs tors. theta energy: -27.556
Dist. restrs. and SS energy: 0.630 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -338.474411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.474411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.701745 (E_RNA)
where:
Base-Base interactions energy: -233.185
where: short stacking energy: -88.197
Base-Backbone interact. energy: 2.932
local terms energy: -108.448800
where:
bonds (distance) C4'-P energy: -23.292
bonds (distance) P-C4' energy: -26.171
flat angles C4'-P-C4' energy: -22.609
flat angles P-C4'-P energy: -11.565
tors. eta vs tors. theta energy: -24.812
Dist. restrs. and SS energy: 0.227 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -340.644194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.644194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.335709 (E_RNA)
where:
Base-Base interactions energy: -231.367
where: short stacking energy: -85.806
Base-Backbone interact. energy: -0.913
local terms energy: -109.055886
where:
bonds (distance) C4'-P energy: -21.049
bonds (distance) P-C4' energy: -26.197
flat angles C4'-P-C4' energy: -21.019
flat angles P-C4'-P energy: -14.986
tors. eta vs tors. theta energy: -25.804
Dist. restrs. and SS energy: 0.692 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -317.180230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.180230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.681932 (E_RNA)
where:
Base-Base interactions energy: -214.836
where: short stacking energy: -83.779
Base-Backbone interact. energy: -0.124
local terms energy: -102.721734
where:
bonds (distance) C4'-P energy: -18.867
bonds (distance) P-C4' energy: -19.332
flat angles C4'-P-C4' energy: -26.918
flat angles P-C4'-P energy: -15.391
tors. eta vs tors. theta energy: -22.214
Dist. restrs. and SS energy: 0.502 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -318.275890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.275890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.490521 (E_RNA)
where:
Base-Base interactions energy: -216.547
where: short stacking energy: -79.491
Base-Backbone interact. energy: -0.357
local terms energy: -101.586568
where:
bonds (distance) C4'-P energy: -16.057
bonds (distance) P-C4' energy: -28.589
flat angles C4'-P-C4' energy: -21.187
flat angles P-C4'-P energy: -12.918
tors. eta vs tors. theta energy: -22.836
Dist. restrs. and SS energy: 0.215 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -419.563598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.563598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.930128 (E_RNA)
where:
Base-Base interactions energy: -280.867
where: short stacking energy: -115.494
Base-Backbone interact. energy: -1.593
local terms energy: -137.470006
where:
bonds (distance) C4'-P energy: -28.046
bonds (distance) P-C4' energy: -25.341
flat angles C4'-P-C4' energy: -28.814
flat angles P-C4'-P energy: -23.389
tors. eta vs tors. theta energy: -31.880
Dist. restrs. and SS energy: 0.367 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -389.637550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.637550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.638143 (E_RNA)
where:
Base-Base interactions energy: -267.207
where: short stacking energy: -102.458
Base-Backbone interact. energy: -0.241
local terms energy: -122.189878
where:
bonds (distance) C4'-P energy: -25.845
bonds (distance) P-C4' energy: -28.309
flat angles C4'-P-C4' energy: -21.874
flat angles P-C4'-P energy: -17.955
tors. eta vs tors. theta energy: -28.206
Dist. restrs. and SS energy: 0.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -411.289147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.289147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.765789 (E_RNA)
where:
Base-Base interactions energy: -270.478
where: short stacking energy: -115.179
Base-Backbone interact. energy: -0.356
local terms energy: -140.931521
where:
bonds (distance) C4'-P energy: -26.027
bonds (distance) P-C4' energy: -25.999
flat angles C4'-P-C4' energy: -31.720
flat angles P-C4'-P energy: -23.530
tors. eta vs tors. theta energy: -33.655
Dist. restrs. and SS energy: 0.477 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -385.381865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.381865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.690917 (E_RNA)
where:
Base-Base interactions energy: -260.861
where: short stacking energy: -103.706
Base-Backbone interact. energy: -3.159
local terms energy: -121.670623
where:
bonds (distance) C4'-P energy: -26.999
bonds (distance) P-C4' energy: -24.680
flat angles C4'-P-C4' energy: -29.860
flat angles P-C4'-P energy: -14.469
tors. eta vs tors. theta energy: -25.663
Dist. restrs. and SS energy: 0.309 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -364.180479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.180479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.339783 (E_RNA)
where:
Base-Base interactions energy: -238.700
where: short stacking energy: -96.080
Base-Backbone interact. energy: -1.391
local terms energy: -124.248708
where:
bonds (distance) C4'-P energy: -21.281
bonds (distance) P-C4' energy: -28.343
flat angles C4'-P-C4' energy: -28.918
flat angles P-C4'-P energy: -15.323
tors. eta vs tors. theta energy: -30.384
Dist. restrs. and SS energy: 0.159 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -366.626880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.626880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.848616 (E_RNA)
where:
Base-Base interactions energy: -248.564
where: short stacking energy: -98.496
Base-Backbone interact. energy: 0.659
local terms energy: -118.943770
where:
bonds (distance) C4'-P energy: -25.767
bonds (distance) P-C4' energy: -31.473
flat angles C4'-P-C4' energy: -22.008
flat angles P-C4'-P energy: -10.818
tors. eta vs tors. theta energy: -28.877
Dist. restrs. and SS energy: 0.222 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -333.055011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.055011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.132145 (E_RNA)
where:
Base-Base interactions energy: -224.297
where: short stacking energy: -75.802
Base-Backbone interact. energy: -0.750
local terms energy: -109.085122
where:
bonds (distance) C4'-P energy: -31.407
bonds (distance) P-C4' energy: -21.337
flat angles C4'-P-C4' energy: -23.783
flat angles P-C4'-P energy: -14.118
tors. eta vs tors. theta energy: -18.440
Dist. restrs. and SS energy: 1.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -341.735721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.735721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.855861 (E_RNA)
where:
Base-Base interactions energy: -227.425
where: short stacking energy: -84.853
Base-Backbone interact. energy: -1.741
local terms energy: -112.689706
where:
bonds (distance) C4'-P energy: -21.770
bonds (distance) P-C4' energy: -21.719
flat angles C4'-P-C4' energy: -28.088
flat angles P-C4'-P energy: -15.451
tors. eta vs tors. theta energy: -25.662
Dist. restrs. and SS energy: 0.120 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -314.641818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.641818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.815900 (E_RNA)
where:
Base-Base interactions energy: -203.962
where: short stacking energy: -79.963
Base-Backbone interact. energy: -0.896
local terms energy: -109.957838
where:
bonds (distance) C4'-P energy: -21.950
bonds (distance) P-C4' energy: -28.121
flat angles C4'-P-C4' energy: -30.618
flat angles P-C4'-P energy: -12.707
tors. eta vs tors. theta energy: -16.562
Dist. restrs. and SS energy: 0.174 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -326.285067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.285067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.599068 (E_RNA)
where:
Base-Base interactions energy: -217.251
where: short stacking energy: -92.648
Base-Backbone interact. energy: 0.031
local terms energy: -109.379744
where:
bonds (distance) C4'-P energy: -23.820
bonds (distance) P-C4' energy: -16.842
flat angles C4'-P-C4' energy: -27.480
flat angles P-C4'-P energy: -17.158
tors. eta vs tors. theta energy: -24.079
Dist. restrs. and SS energy: 0.314 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -419.816440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.816440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.248986 (E_RNA)
where:
Base-Base interactions energy: -281.373
where: short stacking energy: -115.709
Base-Backbone interact. energy: 0.179
local terms energy: -139.055748
where:
bonds (distance) C4'-P energy: -26.453
bonds (distance) P-C4' energy: -27.168
flat angles C4'-P-C4' energy: -31.903
flat angles P-C4'-P energy: -19.124
tors. eta vs tors. theta energy: -34.407
Dist. restrs. and SS energy: 0.433 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -411.121486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.121486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.238995 (E_RNA)
where:
Base-Base interactions energy: -281.656
where: short stacking energy: -113.353
Base-Backbone interact. energy: -0.304
local terms energy: -129.278574
where:
bonds (distance) C4'-P energy: -28.428
bonds (distance) P-C4' energy: -18.336
flat angles C4'-P-C4' energy: -29.940
flat angles P-C4'-P energy: -21.791
tors. eta vs tors. theta energy: -30.783
Dist. restrs. and SS energy: 0.118 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -387.890672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.890672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.212475 (E_RNA)
where:
Base-Base interactions energy: -260.009
where: short stacking energy: -109.150
Base-Backbone interact. energy: -0.668
local terms energy: -127.535120
where:
bonds (distance) C4'-P energy: -21.350
bonds (distance) P-C4' energy: -25.273
flat angles C4'-P-C4' energy: -28.113
flat angles P-C4'-P energy: -22.804
tors. eta vs tors. theta energy: -29.995
Dist. restrs. and SS energy: 0.322 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -364.222803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.222803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.643855 (E_RNA)
where:
Base-Base interactions energy: -246.999
where: short stacking energy: -108.465
Base-Backbone interact. energy: 0.206
local terms energy: -117.850392
where:
bonds (distance) C4'-P energy: -22.859
bonds (distance) P-C4' energy: -19.195
flat angles C4'-P-C4' energy: -25.701
flat angles P-C4'-P energy: -21.769
tors. eta vs tors. theta energy: -28.326
Dist. restrs. and SS energy: 0.421 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -369.472532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.472532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.665634 (E_RNA)
where:
Base-Base interactions energy: -257.139
where: short stacking energy: -104.416
Base-Backbone interact. energy: -1.888
local terms energy: -110.638108
where:
bonds (distance) C4'-P energy: -16.638
bonds (distance) P-C4' energy: -24.655
flat angles C4'-P-C4' energy: -25.596
flat angles P-C4'-P energy: -19.358
tors. eta vs tors. theta energy: -24.391
Dist. restrs. and SS energy: 0.193 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -382.501780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.501780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.776200 (E_RNA)
where:
Base-Base interactions energy: -262.540
where: short stacking energy: -109.624
Base-Backbone interact. energy: 0.626
local terms energy: -120.861513
where:
bonds (distance) C4'-P energy: -23.513
bonds (distance) P-C4' energy: -24.660
flat angles C4'-P-C4' energy: -26.452
flat angles P-C4'-P energy: -13.442
tors. eta vs tors. theta energy: -32.795
Dist. restrs. and SS energy: 0.274 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -339.551729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.551729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.806153 (E_RNA)
where:
Base-Base interactions energy: -224.271
where: short stacking energy: -77.742
Base-Backbone interact. energy: -0.619
local terms energy: -114.916027
where:
bonds (distance) C4'-P energy: -25.181
bonds (distance) P-C4' energy: -27.472
flat angles C4'-P-C4' energy: -25.966
flat angles P-C4'-P energy: -12.424
tors. eta vs tors. theta energy: -23.873
Dist. restrs. and SS energy: 0.254 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -345.506081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.506081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.604432 (E_RNA)
where:
Base-Base interactions energy: -236.773
where: short stacking energy: -101.404
Base-Backbone interact. energy: -0.679
local terms energy: -108.152232
where:
bonds (distance) C4'-P energy: -18.972
bonds (distance) P-C4' energy: -20.178
flat angles C4'-P-C4' energy: -26.950
flat angles P-C4'-P energy: -17.560
tors. eta vs tors. theta energy: -24.493
Dist. restrs. and SS energy: 0.098 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -318.955797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.955797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.260914 (E_RNA)
where:
Base-Base interactions energy: -214.967
where: short stacking energy: -80.719
Base-Backbone interact. energy: -0.283
local terms energy: -104.010830
where:
bonds (distance) C4'-P energy: -24.114
bonds (distance) P-C4' energy: -19.353
flat angles C4'-P-C4' energy: -23.017
flat angles P-C4'-P energy: -16.864
tors. eta vs tors. theta energy: -20.664
Dist. restrs. and SS energy: 0.305 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -305.415858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.415858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.767037 (E_RNA)
where:
Base-Base interactions energy: -204.419
where: short stacking energy: -86.919
Base-Backbone interact. energy: -0.262
local terms energy: -101.085595
where:
bonds (distance) C4'-P energy: -19.081
bonds (distance) P-C4' energy: -19.626
flat angles C4'-P-C4' energy: -21.807
flat angles P-C4'-P energy: -18.325
tors. eta vs tors. theta energy: -22.247
Dist. restrs. and SS energy: 0.351 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -422.854210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.854210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.111518 (E_RNA)
where:
Base-Base interactions energy: -289.067
where: short stacking energy: -130.285
Base-Backbone interact. energy: -0.268
local terms energy: -133.777093
where:
bonds (distance) C4'-P energy: -27.057
bonds (distance) P-C4' energy: -25.584
flat angles C4'-P-C4' energy: -29.738
flat angles P-C4'-P energy: -15.172
tors. eta vs tors. theta energy: -36.227
Dist. restrs. and SS energy: 0.257 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -410.370491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.370491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.447575 (E_RNA)
where:
Base-Base interactions energy: -280.021
where: short stacking energy: -123.173
Base-Backbone interact. energy: -0.567
local terms energy: -129.860060
where:
bonds (distance) C4'-P energy: -24.827
bonds (distance) P-C4' energy: -27.304
flat angles C4'-P-C4' energy: -24.965
flat angles P-C4'-P energy: -17.934
tors. eta vs tors. theta energy: -34.830
Dist. restrs. and SS energy: 0.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -378.498649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.498649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.679689 (E_RNA)
where:
Base-Base interactions energy: -256.447
where: short stacking energy: -106.678
Base-Backbone interact. energy: -0.228
local terms energy: -122.004739
where:
bonds (distance) C4'-P energy: -21.676
bonds (distance) P-C4' energy: -29.377
flat angles C4'-P-C4' energy: -29.405
flat angles P-C4'-P energy: -14.775
tors. eta vs tors. theta energy: -26.772
Dist. restrs. and SS energy: 0.181 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -380.935659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.935659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.268898 (E_RNA)
where:
Base-Base interactions energy: -252.111
where: short stacking energy: -99.119
Base-Backbone interact. energy: -1.315
local terms energy: -127.843717
where:
bonds (distance) C4'-P energy: -28.440
bonds (distance) P-C4' energy: -27.676
flat angles C4'-P-C4' energy: -26.305
flat angles P-C4'-P energy: -20.413
tors. eta vs tors. theta energy: -25.009
Dist. restrs. and SS energy: 0.333 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -370.033789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.033789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.333821 (E_RNA)
where:
Base-Base interactions energy: -246.869
where: short stacking energy: -101.939
Base-Backbone interact. energy: -0.506
local terms energy: -122.959540
where:
bonds (distance) C4'-P energy: -21.212
bonds (distance) P-C4' energy: -25.438
flat angles C4'-P-C4' energy: -30.421
flat angles P-C4'-P energy: -19.133
tors. eta vs tors. theta energy: -26.755
Dist. restrs. and SS energy: 0.300 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -351.863885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.863885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.976443 (E_RNA)
where:
Base-Base interactions energy: -228.476
where: short stacking energy: -90.678
Base-Backbone interact. energy: 0.127
local terms energy: -123.627263
where:
bonds (distance) C4'-P energy: -22.720
bonds (distance) P-C4' energy: -24.403
flat angles C4'-P-C4' energy: -31.759
flat angles P-C4'-P energy: -21.690
tors. eta vs tors. theta energy: -23.056
Dist. restrs. and SS energy: 0.113 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -354.655381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.655381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.433524 (E_RNA)
where:
Base-Base interactions energy: -244.098
where: short stacking energy: -91.271
Base-Backbone interact. energy: -0.486
local terms energy: -110.849457
where:
bonds (distance) C4'-P energy: -21.709
bonds (distance) P-C4' energy: -27.327
flat angles C4'-P-C4' energy: -24.456
flat angles P-C4'-P energy: -14.096
tors. eta vs tors. theta energy: -23.261
Dist. restrs. and SS energy: 0.778 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -346.447860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.447860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.968069 (E_RNA)
where:
Base-Base interactions energy: -242.508
where: short stacking energy: -95.294
Base-Backbone interact. energy: -1.082
local terms energy: -103.378051
where:
bonds (distance) C4'-P energy: -18.254
bonds (distance) P-C4' energy: -19.924
flat angles C4'-P-C4' energy: -25.847
flat angles P-C4'-P energy: -14.704
tors. eta vs tors. theta energy: -24.649
Dist. restrs. and SS energy: 0.520 (S_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: 64
Temperature: 1.300000
Total energy: -307.450745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.450745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.947736 (E_RNA)
where:
Base-Base interactions energy: -212.783
where: short stacking energy: -86.506
Base-Backbone interact. energy: -0.372
local terms energy: -97.792852
where:
bonds (distance) C4'-P energy: -19.917
bonds (distance) P-C4' energy: -19.174
flat angles C4'-P-C4' energy: -23.717
flat angles P-C4'-P energy: -13.603
tors. eta vs tors. theta energy: -21.381
Dist. restrs. and SS energy: 3.497 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -326.985811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.985811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.084350 (E_RNA)
where:
Base-Base interactions energy: -234.097
where: short stacking energy: -96.376
Base-Backbone interact. energy: -0.950
local terms energy: -92.036943
where:
bonds (distance) C4'-P energy: -12.715
bonds (distance) P-C4' energy: -18.373
flat angles C4'-P-C4' energy: -18.203
flat angles P-C4'-P energy: -17.628
tors. eta vs tors. theta energy: -25.118
Dist. restrs. and SS energy: 0.099 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -433.063042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.063042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.269650 (E_RNA)
where:
Base-Base interactions energy: -285.165
where: short stacking energy: -126.932
Base-Backbone interact. energy: -0.181
local terms energy: -147.922965
where:
bonds (distance) C4'-P energy: -30.449
bonds (distance) P-C4' energy: -28.239
flat angles C4'-P-C4' energy: -33.486
flat angles P-C4'-P energy: -18.187
tors. eta vs tors. theta energy: -37.561
Dist. restrs. and SS energy: 0.207 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -412.259260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.259260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.259260 (E_RNA)
where:
Base-Base interactions energy: -285.286
where: short stacking energy: -120.126
Base-Backbone interact. energy: -0.208
local terms energy: -126.765330
where:
bonds (distance) C4'-P energy: -25.523
bonds (distance) P-C4' energy: -24.094
flat angles C4'-P-C4' energy: -26.313
flat angles P-C4'-P energy: -20.579
tors. eta vs tors. theta energy: -30.257
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -383.820100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.820100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.993276 (E_RNA)
where:
Base-Base interactions energy: -258.982
where: short stacking energy: -102.197
Base-Backbone interact. energy: -0.302
local terms energy: -124.709012
where:
bonds (distance) C4'-P energy: -23.034
bonds (distance) P-C4' energy: -27.363
flat angles C4'-P-C4' energy: -24.652
flat angles P-C4'-P energy: -19.399
tors. eta vs tors. theta energy: -30.261
Dist. restrs. and SS energy: 0.173 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -405.282940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.282940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.381706 (E_RNA)
where:
Base-Base interactions energy: -277.810
where: short stacking energy: -114.610
Base-Backbone interact. energy: -0.358
local terms energy: -127.213144
where:
bonds (distance) C4'-P energy: -30.478
bonds (distance) P-C4' energy: -29.723
flat angles C4'-P-C4' energy: -27.051
flat angles P-C4'-P energy: -9.488
tors. eta vs tors. theta energy: -30.474
Dist. restrs. and SS energy: 0.099 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -385.446414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.446414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.684009 (E_RNA)
where:
Base-Base interactions energy: -251.916
where: short stacking energy: -102.507
Base-Backbone interact. energy: -1.047
local terms energy: -132.720535
where:
bonds (distance) C4'-P energy: -29.375
bonds (distance) P-C4' energy: -22.364
flat angles C4'-P-C4' energy: -27.393
flat angles P-C4'-P energy: -20.358
tors. eta vs tors. theta energy: -33.231
Dist. restrs. and SS energy: 0.238 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -359.760610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.760610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.289673 (E_RNA)
where:
Base-Base interactions energy: -244.414
where: short stacking energy: -98.821
Base-Backbone interact. energy: -0.747
local terms energy: -115.128870
where:
bonds (distance) C4'-P energy: -19.853
bonds (distance) P-C4' energy: -27.320
flat angles C4'-P-C4' energy: -26.934
flat angles P-C4'-P energy: -15.411
tors. eta vs tors. theta energy: -25.612
Dist. restrs. and SS energy: 0.529 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -345.548234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.548234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.856034 (E_RNA)
where:
Base-Base interactions energy: -234.056
where: short stacking energy: -87.926
Base-Backbone interact. energy: -0.300
local terms energy: -111.499491
where:
bonds (distance) C4'-P energy: -26.954
bonds (distance) P-C4' energy: -27.318
flat angles C4'-P-C4' energy: -22.182
flat angles P-C4'-P energy: -8.678
tors. eta vs tors. theta energy: -26.367
Dist. restrs. and SS energy: 0.308 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -329.809908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.809908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.929474 (E_RNA)
where:
Base-Base interactions energy: -221.598
where: short stacking energy: -83.348
Base-Backbone interact. energy: -0.249
local terms energy: -108.082022
where:
bonds (distance) C4'-P energy: -23.851
bonds (distance) P-C4' energy: -26.590
flat angles C4'-P-C4' energy: -22.017
flat angles P-C4'-P energy: -14.646
tors. eta vs tors. theta energy: -20.979
Dist. restrs. and SS energy: 0.120 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -338.718497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.718497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.332643 (E_RNA)
where:
Base-Base interactions energy: -221.312
where: short stacking energy: -83.701
Base-Backbone interact. energy: -1.509
local terms energy: -116.511652
where:
bonds (distance) C4'-P energy: -18.850
bonds (distance) P-C4' energy: -29.642
flat angles C4'-P-C4' energy: -22.508
flat angles P-C4'-P energy: -19.015
tors. eta vs tors. theta energy: -26.496
Dist. restrs. and SS energy: 0.614 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -315.603542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.603542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.181555 (E_RNA)
where:
Base-Base interactions energy: -213.656
where: short stacking energy: -79.569
Base-Backbone interact. energy: -0.546
local terms energy: -105.980145
where:
bonds (distance) C4'-P energy: -21.848
bonds (distance) P-C4' energy: -27.537
flat angles C4'-P-C4' energy: -20.776
flat angles P-C4'-P energy: -11.009
tors. eta vs tors. theta energy: -24.810
Dist. restrs. and SS energy: 4.578 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -400.132148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.132148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.462696 (E_RNA)
where:
Base-Base interactions energy: -273.242
where: short stacking energy: -112.521
Base-Backbone interact. energy: -0.687
local terms energy: -126.534114
where:
bonds (distance) C4'-P energy: -25.139
bonds (distance) P-C4' energy: -26.617
flat angles C4'-P-C4' energy: -27.448
flat angles P-C4'-P energy: -19.949
tors. eta vs tors. theta energy: -27.381
Dist. restrs. and SS energy: 0.331 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -403.049336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.049336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.384258 (E_RNA)
where:
Base-Base interactions energy: -266.789
where: short stacking energy: -115.090
Base-Backbone interact. energy: -0.340
local terms energy: -136.254961
where:
bonds (distance) C4'-P energy: -27.806
bonds (distance) P-C4' energy: -30.573
flat angles C4'-P-C4' energy: -29.151
flat angles P-C4'-P energy: -17.005
tors. eta vs tors. theta energy: -31.719
Dist. restrs. and SS energy: 0.335 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -402.532154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.532154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.906889 (E_RNA)
where:
Base-Base interactions energy: -272.681
where: short stacking energy: -118.686
Base-Backbone interact. energy: -2.163
local terms energy: -128.062621
where:
bonds (distance) C4'-P energy: -24.996
bonds (distance) P-C4' energy: -24.558
flat angles C4'-P-C4' energy: -28.799
flat angles P-C4'-P energy: -19.248
tors. eta vs tors. theta energy: -30.461
Dist. restrs. and SS energy: 0.375 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -354.685469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.685469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.905656 (E_RNA)
where:
Base-Base interactions energy: -242.056
where: short stacking energy: -88.075
Base-Backbone interact. energy: 0.120
local terms energy: -112.970157
where:
bonds (distance) C4'-P energy: -21.436
bonds (distance) P-C4' energy: -21.973
flat angles C4'-P-C4' energy: -30.853
flat angles P-C4'-P energy: -18.000
tors. eta vs tors. theta energy: -20.708
Dist. restrs. and SS energy: 0.220 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -378.925302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.925302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.307454 (E_RNA)
where:
Base-Base interactions energy: -261.977
where: short stacking energy: -97.976
Base-Backbone interact. energy: 1.168
local terms energy: -118.498601
where:
bonds (distance) C4'-P energy: -24.387
bonds (distance) P-C4' energy: -21.067
flat angles C4'-P-C4' energy: -27.037
flat angles P-C4'-P energy: -19.128
tors. eta vs tors. theta energy: -26.879
Dist. restrs. and SS energy: 0.382 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -369.279331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.279331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.616756 (E_RNA)
where:
Base-Base interactions energy: -256.946
where: short stacking energy: -97.063
Base-Backbone interact. energy: -0.041
local terms energy: -112.629768
where:
bonds (distance) C4'-P energy: -18.442
bonds (distance) P-C4' energy: -26.645
flat angles C4'-P-C4' energy: -26.488
flat angles P-C4'-P energy: -12.951
tors. eta vs tors. theta energy: -28.104
Dist. restrs. and SS energy: 0.337 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -334.235727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.235727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.292979 (E_RNA)
where:
Base-Base interactions energy: -218.274
where: short stacking energy: -81.838
Base-Backbone interact. energy: -0.526
local terms energy: -115.493353
where:
bonds (distance) C4'-P energy: -24.229
bonds (distance) P-C4' energy: -31.296
flat angles C4'-P-C4' energy: -25.027
flat angles P-C4'-P energy: -11.123
tors. eta vs tors. theta energy: -23.819
Dist. restrs. and SS energy: 0.057 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -338.065098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.065098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.590122 (E_RNA)
where:
Base-Base interactions energy: -228.650
where: short stacking energy: -99.132
Base-Backbone interact. energy: -0.441
local terms energy: -109.499544
where:
bonds (distance) C4'-P energy: -25.770
bonds (distance) P-C4' energy: -25.333
flat angles C4'-P-C4' energy: -19.473
flat angles P-C4'-P energy: -17.621
tors. eta vs tors. theta energy: -21.303
Dist. restrs. and SS energy: 0.525 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -332.954055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.954055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.182722 (E_RNA)
where:
Base-Base interactions energy: -219.678
where: short stacking energy: -96.576
Base-Backbone interact. energy: -0.692
local terms energy: -112.813357
where:
bonds (distance) C4'-P energy: -17.095
bonds (distance) P-C4' energy: -27.102
flat angles C4'-P-C4' energy: -27.337
flat angles P-C4'-P energy: -15.036
tors. eta vs tors. theta energy: -26.243
Dist. restrs. and SS energy: 0.229 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -311.738640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.738640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.099732 (E_RNA)
where:
Base-Base interactions energy: -218.489
where: short stacking energy: -80.059
Base-Backbone interact. energy: 0.872
local terms energy: -94.483231
where:
bonds (distance) C4'-P energy: -27.631
bonds (distance) P-C4' energy: -10.574
flat angles C4'-P-C4' energy: -16.735
flat angles P-C4'-P energy: -18.526
tors. eta vs tors. theta energy: -21.017
Dist. restrs. and SS energy: 0.361 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -417.112679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.112679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.481879 (E_RNA)
where:
Base-Base interactions energy: -286.066
where: short stacking energy: -107.991
Base-Backbone interact. energy: -0.220
local terms energy: -131.196090
where:
bonds (distance) C4'-P energy: -30.410
bonds (distance) P-C4' energy: -26.847
flat angles C4'-P-C4' energy: -32.555
flat angles P-C4'-P energy: -14.249
tors. eta vs tors. theta energy: -27.136
Dist. restrs. and SS energy: 0.369 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -411.025990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.025990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.589897 (E_RNA)
where:
Base-Base interactions energy: -276.857
where: short stacking energy: -115.609
Base-Backbone interact. energy: -0.302
local terms energy: -134.430158
where:
bonds (distance) C4'-P energy: -21.776
bonds (distance) P-C4' energy: -30.867
flat angles C4'-P-C4' energy: -27.454
flat angles P-C4'-P energy: -18.520
tors. eta vs tors. theta energy: -35.813
Dist. restrs. and SS energy: 0.564 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -391.773232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.773232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.247297 (E_RNA)
where:
Base-Base interactions energy: -264.290
where: short stacking energy: -113.132
Base-Backbone interact. energy: -0.625
local terms energy: -127.333132
where:
bonds (distance) C4'-P energy: -25.492
bonds (distance) P-C4' energy: -20.467
flat angles C4'-P-C4' energy: -28.057
flat angles P-C4'-P energy: -16.365
tors. eta vs tors. theta energy: -36.953
Dist. restrs. and SS energy: 0.474 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -368.411161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.411161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.585363 (E_RNA)
where:
Base-Base interactions energy: -247.708
where: short stacking energy: -91.667
Base-Backbone interact. energy: -1.450
local terms energy: -119.427190
where:
bonds (distance) C4'-P energy: -27.462
bonds (distance) P-C4' energy: -20.535
flat angles C4'-P-C4' energy: -27.701
flat angles P-C4'-P energy: -18.706
tors. eta vs tors. theta energy: -25.023
Dist. restrs. and SS energy: 0.174 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -349.877175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.877175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.171307 (E_RNA)
where:
Base-Base interactions energy: -224.882
where: short stacking energy: -86.456
Base-Backbone interact. energy: -1.557
local terms energy: -123.732813
where:
bonds (distance) C4'-P energy: -26.674
bonds (distance) P-C4' energy: -27.220
flat angles C4'-P-C4' energy: -26.005
flat angles P-C4'-P energy: -19.218
tors. eta vs tors. theta energy: -24.615
Dist. restrs. and SS energy: 0.294 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -356.442682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.442682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.578418 (E_RNA)
where:
Base-Base interactions energy: -240.634
where: short stacking energy: -95.984
Base-Backbone interact. energy: -0.806
local terms energy: -115.138727
where:
bonds (distance) C4'-P energy: -15.954
bonds (distance) P-C4' energy: -28.808
flat angles C4'-P-C4' energy: -27.985
flat angles P-C4'-P energy: -20.712
tors. eta vs tors. theta energy: -21.681
Dist. restrs. and SS energy: 0.136 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -331.653894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.653894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.822445 (E_RNA)
where:
Base-Base interactions energy: -218.985
where: short stacking energy: -84.166
Base-Backbone interact. energy: 1.261
local terms energy: -114.098327
where:
bonds (distance) C4'-P energy: -26.245
bonds (distance) P-C4' energy: -25.356
flat angles C4'-P-C4' energy: -26.932
flat angles P-C4'-P energy: -11.971
tors. eta vs tors. theta energy: -23.595
Dist. restrs. and SS energy: 0.169 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -332.923658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.923658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.588295 (E_RNA)
where:
Base-Base interactions energy: -221.293
where: short stacking energy: -91.664
Base-Backbone interact. energy: -2.738
local terms energy: -109.557718
where:
bonds (distance) C4'-P energy: -24.244
bonds (distance) P-C4' energy: -26.370
flat angles C4'-P-C4' energy: -23.669
flat angles P-C4'-P energy: -11.030
tors. eta vs tors. theta energy: -24.246
Dist. restrs. and SS energy: 0.665 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -337.052312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.052312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.326920 (E_RNA)
where:
Base-Base interactions energy: -230.476
where: short stacking energy: -93.596
Base-Backbone interact. energy: -0.051
local terms energy: -106.800058
where:
bonds (distance) C4'-P energy: -23.811
bonds (distance) P-C4' energy: -23.072
flat angles C4'-P-C4' energy: -26.326
flat angles P-C4'-P energy: -6.011
tors. eta vs tors. theta energy: -27.580
Dist. restrs. and SS energy: 0.275 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -315.978186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.978186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.179818 (E_RNA)
where:
Base-Base interactions energy: -226.082
where: short stacking energy: -82.913
Base-Backbone interact. energy: -0.163
local terms energy: -89.934385
where:
bonds (distance) C4'-P energy: -18.973
bonds (distance) P-C4' energy: -21.767
flat angles C4'-P-C4' energy: -17.380
flat angles P-C4'-P energy: -13.938
tors. eta vs tors. theta energy: -17.877
Dist. restrs. and SS energy: 0.202 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -423.253071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.253071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.418155 (E_RNA)
where:
Base-Base interactions energy: -295.406
where: short stacking energy: -115.899
Base-Backbone interact. energy: -0.233
local terms energy: -127.778933
where:
bonds (distance) C4'-P energy: -28.220
bonds (distance) P-C4' energy: -25.638
flat angles C4'-P-C4' energy: -23.784
flat angles P-C4'-P energy: -17.146
tors. eta vs tors. theta energy: -32.991
Dist. restrs. and SS energy: 0.165 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -399.373890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.373890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.434059 (E_RNA)
where:
Base-Base interactions energy: -269.784
where: short stacking energy: -107.363
Base-Backbone interact. energy: -0.880
local terms energy: -128.770371
where:
bonds (distance) C4'-P energy: -28.311
bonds (distance) P-C4' energy: -19.795
flat angles C4'-P-C4' energy: -30.406
flat angles P-C4'-P energy: -16.908
tors. eta vs tors. theta energy: -33.351
Dist. restrs. and SS energy: 0.060 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -380.358159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.358159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.938375 (E_RNA)
where:
Base-Base interactions energy: -247.473
where: short stacking energy: -106.861
Base-Backbone interact. energy: -0.226
local terms energy: -133.238722
where:
bonds (distance) C4'-P energy: -28.117
bonds (distance) P-C4' energy: -27.469
flat angles C4'-P-C4' energy: -32.248
flat angles P-C4'-P energy: -15.686
tors. eta vs tors. theta energy: -29.719
Dist. restrs. and SS energy: 0.580 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -374.062319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.062319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.288871 (E_RNA)
where:
Base-Base interactions energy: -260.516
where: short stacking energy: -97.938
Base-Backbone interact. energy: -0.126
local terms energy: -113.646984
where:
bonds (distance) C4'-P energy: -21.064
bonds (distance) P-C4' energy: -25.707
flat angles C4'-P-C4' energy: -21.320
flat angles P-C4'-P energy: -12.702
tors. eta vs tors. theta energy: -32.855
Dist. restrs. and SS energy: 0.227 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -354.579265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.579265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.681526 (E_RNA)
where:
Base-Base interactions energy: -243.084
where: short stacking energy: -95.359
Base-Backbone interact. energy: -0.395
local terms energy: -111.203168
where:
bonds (distance) C4'-P energy: -25.289
bonds (distance) P-C4' energy: -22.181
flat angles C4'-P-C4' energy: -25.403
flat angles P-C4'-P energy: -13.793
tors. eta vs tors. theta energy: -24.537
Dist. restrs. and SS energy: 0.102 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -360.478786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.478786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.528905 (E_RNA)
where:
Base-Base interactions energy: -248.514
where: short stacking energy: -92.870
Base-Backbone interact. energy: 0.196
local terms energy: -112.210180
where:
bonds (distance) C4'-P energy: -25.024
bonds (distance) P-C4' energy: -23.201
flat angles C4'-P-C4' energy: -22.567
flat angles P-C4'-P energy: -19.502
tors. eta vs tors. theta energy: -21.917
Dist. restrs. and SS energy: 0.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -336.992679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.992679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.006157 (E_RNA)
where:
Base-Base interactions energy: -234.913
where: short stacking energy: -89.814
Base-Backbone interact. energy: -1.406
local terms energy: -100.687329
where:
bonds (distance) C4'-P energy: -23.944
bonds (distance) P-C4' energy: -24.034
flat angles C4'-P-C4' energy: -18.794
flat angles P-C4'-P energy: -17.345
tors. eta vs tors. theta energy: -16.570
Dist. restrs. and SS energy: 0.013 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -323.118771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.118771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.448613 (E_RNA)
where:
Base-Base interactions energy: -205.607
where: short stacking energy: -77.044
Base-Backbone interact. energy: 0.066
local terms energy: -117.907593
where:
bonds (distance) C4'-P energy: -27.959
bonds (distance) P-C4' energy: -24.879
flat angles C4'-P-C4' energy: -29.752
flat angles P-C4'-P energy: -8.566
tors. eta vs tors. theta energy: -26.751
Dist. restrs. and SS energy: 0.330 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -331.556821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.556821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.918074 (E_RNA)
where:
Base-Base interactions energy: -234.392
where: short stacking energy: -79.539
Base-Backbone interact. energy: -1.048
local terms energy: -96.478044
where:
bonds (distance) C4'-P energy: -21.631
bonds (distance) P-C4' energy: -20.932
flat angles C4'-P-C4' energy: -22.344
flat angles P-C4'-P energy: -11.791
tors. eta vs tors. theta energy: -19.780
Dist. restrs. and SS energy: 0.361 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -323.047895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.047895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.301012 (E_RNA)
where:
Base-Base interactions energy: -219.143
where: short stacking energy: -88.472
Base-Backbone interact. energy: -0.155
local terms energy: -104.002852
where:
bonds (distance) C4'-P energy: -13.204
bonds (distance) P-C4' energy: -21.491
flat angles C4'-P-C4' energy: -24.240
flat angles P-C4'-P energy: -12.188
tors. eta vs tors. theta energy: -32.881
Dist. restrs. and SS energy: 0.253 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -415.697571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.697571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.849812 (E_RNA)
where:
Base-Base interactions energy: -278.859
where: short stacking energy: -117.997
Base-Backbone interact. energy: -1.095
local terms energy: -135.895625
where:
bonds (distance) C4'-P energy: -25.360
bonds (distance) P-C4' energy: -23.505
flat angles C4'-P-C4' energy: -30.369
flat angles P-C4'-P energy: -22.970
tors. eta vs tors. theta energy: -33.692
Dist. restrs. and SS energy: 0.152 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -409.380358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.380358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.424956 (E_RNA)
where:
Base-Base interactions energy: -272.702
where: short stacking energy: -108.338
Base-Backbone interact. energy: -0.585
local terms energy: -136.138828
where:
bonds (distance) C4'-P energy: -28.638
bonds (distance) P-C4' energy: -30.342
flat angles C4'-P-C4' energy: -27.813
flat angles P-C4'-P energy: -20.777
tors. eta vs tors. theta energy: -28.569
Dist. restrs. and SS energy: 0.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -387.351171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.351171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.681350 (E_RNA)
where:
Base-Base interactions energy: -258.156
where: short stacking energy: -102.711
Base-Backbone interact. energy: -0.403
local terms energy: -129.122351
where:
bonds (distance) C4'-P energy: -28.547
bonds (distance) P-C4' energy: -30.630
flat angles C4'-P-C4' energy: -26.093
flat angles P-C4'-P energy: -16.163
tors. eta vs tors. theta energy: -27.689
Dist. restrs. and SS energy: 0.330 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -367.087626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.087626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.522811 (E_RNA)
where:
Base-Base interactions energy: -241.718
where: short stacking energy: -100.229
Base-Backbone interact. energy: -0.362
local terms energy: -125.442374
where:
bonds (distance) C4'-P energy: -28.038
bonds (distance) P-C4' energy: -27.165
flat angles C4'-P-C4' energy: -29.495
flat angles P-C4'-P energy: -11.442
tors. eta vs tors. theta energy: -29.303
Dist. restrs. and SS energy: 0.435 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -350.215017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.215017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.786345 (E_RNA)
where:
Base-Base interactions energy: -228.081
where: short stacking energy: -96.186
Base-Backbone interact. energy: -1.625
local terms energy: -121.080503
where:
bonds (distance) C4'-P energy: -23.657
bonds (distance) P-C4' energy: -23.670
flat angles C4'-P-C4' energy: -25.665
flat angles P-C4'-P energy: -16.327
tors. eta vs tors. theta energy: -31.761
Dist. restrs. and SS energy: 0.571 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -361.645137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.645137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.775329 (E_RNA)
where:
Base-Base interactions energy: -245.097
where: short stacking energy: -97.929
Base-Backbone interact. energy: -0.096
local terms energy: -116.581921
where:
bonds (distance) C4'-P energy: -22.238
bonds (distance) P-C4' energy: -24.344
flat angles C4'-P-C4' energy: -29.071
flat angles P-C4'-P energy: -16.608
tors. eta vs tors. theta energy: -24.321
Dist. restrs. and SS energy: 0.130 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -344.983062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.983062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.261055 (E_RNA)
where:
Base-Base interactions energy: -230.163
where: short stacking energy: -92.499
Base-Backbone interact. energy: -0.886
local terms energy: -114.211184
where:
bonds (distance) C4'-P energy: -22.228
bonds (distance) P-C4' energy: -28.929
flat angles C4'-P-C4' energy: -30.419
flat angles P-C4'-P energy: -17.549
tors. eta vs tors. theta energy: -15.087
Dist. restrs. and SS energy: 0.278 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -349.470000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.470000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.587769 (E_RNA)
where:
Base-Base interactions energy: -231.270
where: short stacking energy: -94.243
Base-Backbone interact. energy: -0.565
local terms energy: -117.752730
where:
bonds (distance) C4'-P energy: -31.367
bonds (distance) P-C4' energy: -20.282
flat angles C4'-P-C4' energy: -23.498
flat angles P-C4'-P energy: -16.274
tors. eta vs tors. theta energy: -26.332
Dist. restrs. and SS energy: 0.118 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -325.898130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.898130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.028242 (E_RNA)
where:
Base-Base interactions energy: -229.294
where: short stacking energy: -86.186
Base-Backbone interact. energy: -0.549
local terms energy: -96.184815
where:
bonds (distance) C4'-P energy: -16.569
bonds (distance) P-C4' energy: -20.983
flat angles C4'-P-C4' energy: -28.045
flat angles P-C4'-P energy: -9.607
tors. eta vs tors. theta energy: -20.980
Dist. restrs. and SS energy: 0.130 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -321.106481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.106481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.304790 (E_RNA)
where:
Base-Base interactions energy: -220.898
where: short stacking energy: -80.514
Base-Backbone interact. energy: -1.232
local terms energy: -99.175395
where:
bonds (distance) C4'-P energy: -15.304
bonds (distance) P-C4' energy: -24.411
flat angles C4'-P-C4' energy: -23.675
flat angles P-C4'-P energy: -14.067
tors. eta vs tors. theta energy: -21.719
Dist. restrs. and SS energy: 0.198 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -418.784811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.784811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.008684 (E_RNA)
where:
Base-Base interactions energy: -282.770
where: short stacking energy: -113.874
Base-Backbone interact. energy: -1.565
local terms energy: -134.673536
where:
bonds (distance) C4'-P energy: -26.689
bonds (distance) P-C4' energy: -27.863
flat angles C4'-P-C4' energy: -29.670
flat angles P-C4'-P energy: -17.375
tors. eta vs tors. theta energy: -33.076
Dist. restrs. and SS energy: 0.224 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -418.053042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.053042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.130896 (E_RNA)
where:
Base-Base interactions energy: -290.268
where: short stacking energy: -112.858
Base-Backbone interact. energy: 0.183
local terms energy: -128.045539
where:
bonds (distance) C4'-P energy: -25.500
bonds (distance) P-C4' energy: -28.047
flat angles C4'-P-C4' energy: -24.624
flat angles P-C4'-P energy: -19.698
tors. eta vs tors. theta energy: -30.176
Dist. restrs. and SS energy: 0.078 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -370.177688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.177688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.283151 (E_RNA)
where:
Base-Base interactions energy: -243.143
where: short stacking energy: -102.710
Base-Backbone interact. energy: 0.750
local terms energy: -127.890072
where:
bonds (distance) C4'-P energy: -27.189
bonds (distance) P-C4' energy: -25.731
flat angles C4'-P-C4' energy: -26.900
flat angles P-C4'-P energy: -20.591
tors. eta vs tors. theta energy: -27.478
Dist. restrs. and SS energy: 0.105 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -386.481756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.481756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.851314 (E_RNA)
where:
Base-Base interactions energy: -258.145
where: short stacking energy: -97.192
Base-Backbone interact. energy: -2.234
local terms energy: -126.471526
where:
bonds (distance) C4'-P energy: -27.161
bonds (distance) P-C4' energy: -26.944
flat angles C4'-P-C4' energy: -26.348
flat angles P-C4'-P energy: -17.347
tors. eta vs tors. theta energy: -28.672
Dist. restrs. and SS energy: 0.370 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -365.140979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.140979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.343886 (E_RNA)
where:
Base-Base interactions energy: -242.483
where: short stacking energy: -98.133
Base-Backbone interact. energy: -0.146
local terms energy: -122.714866
where:
bonds (distance) C4'-P energy: -25.061
bonds (distance) P-C4' energy: -26.505
flat angles C4'-P-C4' energy: -26.593
flat angles P-C4'-P energy: -14.871
tors. eta vs tors. theta energy: -29.685
Dist. restrs. and SS energy: 0.203 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -357.912878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.912878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.329474 (E_RNA)
where:
Base-Base interactions energy: -237.719
where: short stacking energy: -94.212
Base-Backbone interact. energy: -0.418
local terms energy: -120.193406
where:
bonds (distance) C4'-P energy: -27.100
bonds (distance) P-C4' energy: -27.557
flat angles C4'-P-C4' energy: -23.923
flat angles P-C4'-P energy: -11.656
tors. eta vs tors. theta energy: -29.958
Dist. restrs. and SS energy: 0.417 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -337.075787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.075787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.521305 (E_RNA)
where:
Base-Base interactions energy: -232.722
where: short stacking energy: -88.590
Base-Backbone interact. energy: -0.356
local terms energy: -104.442569
where:
bonds (distance) C4'-P energy: -24.553
bonds (distance) P-C4' energy: -24.815
flat angles C4'-P-C4' energy: -24.235
flat angles P-C4'-P energy: -11.232
tors. eta vs tors. theta energy: -19.607
Dist. restrs. and SS energy: 0.446 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -339.675855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.675855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.155834 (E_RNA)
where:
Base-Base interactions energy: -229.347
where: short stacking energy: -95.018
Base-Backbone interact. energy: -2.951
local terms energy: -107.858082
where:
bonds (distance) C4'-P energy: -24.788
bonds (distance) P-C4' energy: -19.159
flat angles C4'-P-C4' energy: -29.182
flat angles P-C4'-P energy: -14.260
tors. eta vs tors. theta energy: -20.470
Dist. restrs. and SS energy: 0.480 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -324.464350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.464350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.738066 (E_RNA)
where:
Base-Base interactions energy: -224.652
where: short stacking energy: -89.888
Base-Backbone interact. energy: -0.248
local terms energy: -99.838157
where:
bonds (distance) C4'-P energy: -20.554
bonds (distance) P-C4' energy: -23.589
flat angles C4'-P-C4' energy: -21.885
flat angles P-C4'-P energy: -10.817
tors. eta vs tors. theta energy: -22.993
Dist. restrs. and SS energy: 0.274 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -313.992698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.992698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.231433 (E_RNA)
where:
Base-Base interactions energy: -216.779
where: short stacking energy: -82.842
Base-Backbone interact. energy: 0.641
local terms energy: -98.093276
where:
bonds (distance) C4'-P energy: -25.237
bonds (distance) P-C4' energy: -20.394
flat angles C4'-P-C4' energy: -15.838
flat angles P-C4'-P energy: -14.318
tors. eta vs tors. theta energy: -22.307
Dist. restrs. and SS energy: 0.239 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -425.193763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.193763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.234217 (E_RNA)
where:
Base-Base interactions energy: -284.081
where: short stacking energy: -117.625
Base-Backbone interact. energy: -1.081
local terms energy: -140.073174
where:
bonds (distance) C4'-P energy: -31.652
bonds (distance) P-C4' energy: -26.921
flat angles C4'-P-C4' energy: -27.087
flat angles P-C4'-P energy: -18.282
tors. eta vs tors. theta energy: -36.132
Dist. restrs. and SS energy: 0.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -414.327771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.327771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.360235 (E_RNA)
where:
Base-Base interactions energy: -284.393
where: short stacking energy: -105.336
Base-Backbone interact. energy: -0.624
local terms energy: -129.343188
where:
bonds (distance) C4'-P energy: -24.720
bonds (distance) P-C4' energy: -28.219
flat angles C4'-P-C4' energy: -29.258
flat angles P-C4'-P energy: -18.881
tors. eta vs tors. theta energy: -28.266
Dist. restrs. and SS energy: 0.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -380.471283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.471283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.621313 (E_RNA)
where:
Base-Base interactions energy: -266.033
where: short stacking energy: -110.454
Base-Backbone interact. energy: -0.154
local terms energy: -114.434316
where:
bonds (distance) C4'-P energy: -21.058
bonds (distance) P-C4' energy: -28.626
flat angles C4'-P-C4' energy: -23.641
flat angles P-C4'-P energy: -9.714
tors. eta vs tors. theta energy: -31.396
Dist. restrs. and SS energy: 0.150 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -372.237352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.237352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.825055 (E_RNA)
where:
Base-Base interactions energy: -249.959
where: short stacking energy: -97.914
Base-Backbone interact. energy: 0.884
local terms energy: -123.750051
where:
bonds (distance) C4'-P energy: -24.018
bonds (distance) P-C4' energy: -24.280
flat angles C4'-P-C4' energy: -28.246
flat angles P-C4'-P energy: -17.687
tors. eta vs tors. theta energy: -29.519
Dist. restrs. and SS energy: 0.588 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -357.118909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.118909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.666169 (E_RNA)
where:
Base-Base interactions energy: -233.760
where: short stacking energy: -93.157
Base-Backbone interact. energy: -0.305
local terms energy: -123.601247
where:
bonds (distance) C4'-P energy: -27.424
bonds (distance) P-C4' energy: -27.402
flat angles C4'-P-C4' energy: -27.391
flat angles P-C4'-P energy: -16.179
tors. eta vs tors. theta energy: -25.205
Dist. restrs. and SS energy: 0.547 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -364.464288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.464288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.680041 (E_RNA)
where:
Base-Base interactions energy: -244.946
where: short stacking energy: -94.733
Base-Backbone interact. energy: -0.351
local terms energy: -119.383641
where:
bonds (distance) C4'-P energy: -25.061
bonds (distance) P-C4' energy: -26.793
flat angles C4'-P-C4' energy: -27.916
flat angles P-C4'-P energy: -11.839
tors. eta vs tors. theta energy: -27.775
Dist. restrs. and SS energy: 0.216 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -343.989891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.989891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.588960 (E_RNA)
where:
Base-Base interactions energy: -228.500
where: short stacking energy: -102.448
Base-Backbone interact. energy: 1.185
local terms energy: -117.274376
where:
bonds (distance) C4'-P energy: -26.775
bonds (distance) P-C4' energy: -25.158
flat angles C4'-P-C4' energy: -23.359
flat angles P-C4'-P energy: -14.458
tors. eta vs tors. theta energy: -27.524
Dist. restrs. and SS energy: 0.599 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -335.122476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.122476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.208093 (E_RNA)
where:
Base-Base interactions energy: -223.601
where: short stacking energy: -85.581
Base-Backbone interact. energy: -0.312
local terms energy: -111.294855
where:
bonds (distance) C4'-P energy: -21.761
bonds (distance) P-C4' energy: -20.396
flat angles C4'-P-C4' energy: -26.081
flat angles P-C4'-P energy: -18.821
tors. eta vs tors. theta energy: -24.236
Dist. restrs. and SS energy: 0.086 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -333.005601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.005601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.190304 (E_RNA)
where:
Base-Base interactions energy: -222.207
where: short stacking energy: -83.907
Base-Backbone interact. energy: -1.062
local terms energy: -109.921427
where:
bonds (distance) C4'-P energy: -22.562
bonds (distance) P-C4' energy: -24.575
flat angles C4'-P-C4' energy: -24.046
flat angles P-C4'-P energy: -13.536
tors. eta vs tors. theta energy: -25.202
Dist. restrs. and SS energy: 0.185 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -310.708952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.708952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.102618 (E_RNA)
where:
Base-Base interactions energy: -213.383
where: short stacking energy: -81.770
Base-Backbone interact. energy: -0.713
local terms energy: -97.006198
where:
bonds (distance) C4'-P energy: -20.109
bonds (distance) P-C4' energy: -21.102
flat angles C4'-P-C4' energy: -22.954
flat angles P-C4'-P energy: -16.010
tors. eta vs tors. theta energy: -16.832
Dist. restrs. and SS energy: 0.394 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -431.426046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.426046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.624113 (E_RNA)
where:
Base-Base interactions energy: -289.650
where: short stacking energy: -115.753
Base-Backbone interact. energy: -1.469
local terms energy: -140.505486
where:
bonds (distance) C4'-P energy: -29.051
bonds (distance) P-C4' energy: -28.017
flat angles C4'-P-C4' energy: -28.207
flat angles P-C4'-P energy: -21.027
tors. eta vs tors. theta energy: -34.204
Dist. restrs. and SS energy: 0.198 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -411.511755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.511755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.582906 (E_RNA)
where:
Base-Base interactions energy: -280.955
where: short stacking energy: -118.055
Base-Backbone interact. energy: -0.053
local terms energy: -130.574944
where:
bonds (distance) C4'-P energy: -27.562
bonds (distance) P-C4' energy: -26.972
flat angles C4'-P-C4' energy: -27.814
flat angles P-C4'-P energy: -16.102
tors. eta vs tors. theta energy: -32.126
Dist. restrs. and SS energy: 0.071 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -397.937927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.937927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.480228 (E_RNA)
where:
Base-Base interactions energy: -260.831
where: short stacking energy: -111.245
Base-Backbone interact. energy: -0.907
local terms energy: -136.741701
where:
bonds (distance) C4'-P energy: -26.936
bonds (distance) P-C4' energy: -27.616
flat angles C4'-P-C4' energy: -25.586
flat angles P-C4'-P energy: -24.911
tors. eta vs tors. theta energy: -31.694
Dist. restrs. and SS energy: 0.542 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -384.347847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.347847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.834287 (E_RNA)
where:
Base-Base interactions energy: -268.362
where: short stacking energy: -109.995
Base-Backbone interact. energy: -0.205
local terms energy: -116.267783
where:
bonds (distance) C4'-P energy: -23.373
bonds (distance) P-C4' energy: -23.085
flat angles C4'-P-C4' energy: -21.006
flat angles P-C4'-P energy: -12.572
tors. eta vs tors. theta energy: -36.231
Dist. restrs. and SS energy: 0.486 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -383.080885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.080885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.148366 (E_RNA)
where:
Base-Base interactions energy: -255.767
where: short stacking energy: -110.141
Base-Backbone interact. energy: -0.293
local terms energy: -127.088343
where:
bonds (distance) C4'-P energy: -26.121
bonds (distance) P-C4' energy: -24.997
flat angles C4'-P-C4' energy: -28.212
flat angles P-C4'-P energy: -16.263
tors. eta vs tors. theta energy: -31.496
Dist. restrs. and SS energy: 0.067 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -353.546501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.546501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.787041 (E_RNA)
where:
Base-Base interactions energy: -248.611
where: short stacking energy: -100.812
Base-Backbone interact. energy: -1.351
local terms energy: -103.824481
where:
bonds (distance) C4'-P energy: -23.133
bonds (distance) P-C4' energy: -19.992
flat angles C4'-P-C4' energy: -22.840
flat angles P-C4'-P energy: -11.173
tors. eta vs tors. theta energy: -26.687
Dist. restrs. and SS energy: 0.241 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -324.180553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.180553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.353824 (E_RNA)
where:
Base-Base interactions energy: -224.752
where: short stacking energy: -93.153
Base-Backbone interact. energy: -0.200
local terms energy: -99.401385
where:
bonds (distance) C4'-P energy: -24.924
bonds (distance) P-C4' energy: -17.839
flat angles C4'-P-C4' energy: -21.105
flat angles P-C4'-P energy: -12.844
tors. eta vs tors. theta energy: -22.690
Dist. restrs. and SS energy: 0.173 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -344.392884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.392884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.242633 (E_RNA)
where:
Base-Base interactions energy: -240.847
where: short stacking energy: -97.424
Base-Backbone interact. energy: -0.256
local terms energy: -104.140087
where:
bonds (distance) C4'-P energy: -19.561
bonds (distance) P-C4' energy: -23.744
flat angles C4'-P-C4' energy: -26.263
flat angles P-C4'-P energy: -10.233
tors. eta vs tors. theta energy: -24.339
Dist. restrs. and SS energy: 0.850 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -321.414260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.414260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.595125 (E_RNA)
where:
Base-Base interactions energy: -219.567
where: short stacking energy: -70.404
Base-Backbone interact. energy: -0.880
local terms energy: -101.147228
where:
bonds (distance) C4'-P energy: -23.056
bonds (distance) P-C4' energy: -21.364
flat angles C4'-P-C4' energy: -22.569
flat angles P-C4'-P energy: -13.295
tors. eta vs tors. theta energy: -20.863
Dist. restrs. and SS energy: 0.181 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -316.681396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.681396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.022440 (E_RNA)
where:
Base-Base interactions energy: -213.761
where: short stacking energy: -80.861
Base-Backbone interact. energy: -0.602
local terms energy: -102.658731
where:
bonds (distance) C4'-P energy: -17.006
bonds (distance) P-C4' energy: -23.391
flat angles C4'-P-C4' energy: -24.228
flat angles P-C4'-P energy: -14.888
tors. eta vs tors. theta energy: -23.146
Dist. restrs. and SS energy: 0.341 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -417.517889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.517889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.706632 (E_RNA)
where:
Base-Base interactions energy: -282.203
where: short stacking energy: -112.100
Base-Backbone interact. energy: -0.512
local terms energy: -134.991935
where:
bonds (distance) C4'-P energy: -29.218
bonds (distance) P-C4' energy: -26.258
flat angles C4'-P-C4' energy: -30.845
flat angles P-C4'-P energy: -13.110
tors. eta vs tors. theta energy: -35.562
Dist. restrs. and SS energy: 0.189 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -408.132039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.132039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.667852 (E_RNA)
where:
Base-Base interactions energy: -274.939
where: short stacking energy: -110.711
Base-Backbone interact. energy: -0.805
local terms energy: -132.923783
where:
bonds (distance) C4'-P energy: -28.439
bonds (distance) P-C4' energy: -25.135
flat angles C4'-P-C4' energy: -26.879
flat angles P-C4'-P energy: -19.047
tors. eta vs tors. theta energy: -33.424
Dist. restrs. and SS energy: 0.536 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -398.219410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.219410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.619743 (E_RNA)
where:
Base-Base interactions energy: -270.734
where: short stacking energy: -119.586
Base-Backbone interact. energy: -0.303
local terms energy: -127.583226
where:
bonds (distance) C4'-P energy: -24.339
bonds (distance) P-C4' energy: -26.425
flat angles C4'-P-C4' energy: -27.347
flat angles P-C4'-P energy: -18.813
tors. eta vs tors. theta energy: -30.660
Dist. restrs. and SS energy: 0.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -396.541273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.541273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.659944 (E_RNA)
where:
Base-Base interactions energy: -260.075
where: short stacking energy: -111.025
Base-Backbone interact. energy: -0.440
local terms energy: -136.145187
where:
bonds (distance) C4'-P energy: -22.891
bonds (distance) P-C4' energy: -27.852
flat angles C4'-P-C4' energy: -30.375
flat angles P-C4'-P energy: -22.321
tors. eta vs tors. theta energy: -32.705
Dist. restrs. and SS energy: 0.119 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -382.921515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.921515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.182378 (E_RNA)
where:
Base-Base interactions energy: -257.377
where: short stacking energy: -109.990
Base-Backbone interact. energy: -0.252
local terms energy: -125.553844
where:
bonds (distance) C4'-P energy: -26.663
bonds (distance) P-C4' energy: -30.594
flat angles C4'-P-C4' energy: -27.661
flat angles P-C4'-P energy: -13.351
tors. eta vs tors. theta energy: -27.284
Dist. restrs. and SS energy: 0.261 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -349.059987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.059987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.441671 (E_RNA)
where:
Base-Base interactions energy: -233.035
where: short stacking energy: -89.410
Base-Backbone interact. energy: -2.237
local terms energy: -114.169607
where:
bonds (distance) C4'-P energy: -22.376
bonds (distance) P-C4' energy: -24.527
flat angles C4'-P-C4' energy: -26.399
flat angles P-C4'-P energy: -15.974
tors. eta vs tors. theta energy: -24.893
Dist. restrs. and SS energy: 0.382 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -333.096679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.096679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.159266 (E_RNA)
where:
Base-Base interactions energy: -225.960
where: short stacking energy: -80.087
Base-Backbone interact. energy: -0.196
local terms energy: -107.002985
where:
bonds (distance) C4'-P energy: -25.259
bonds (distance) P-C4' energy: -24.155
flat angles C4'-P-C4' energy: -23.949
flat angles P-C4'-P energy: -9.676
tors. eta vs tors. theta energy: -23.964
Dist. restrs. and SS energy: 0.063 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -341.088676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.088676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.876164 (E_RNA)
where:
Base-Base interactions energy: -230.257
where: short stacking energy: -85.354
Base-Backbone interact. energy: 0.840
local terms energy: -112.458993
where:
bonds (distance) C4'-P energy: -22.483
bonds (distance) P-C4' energy: -22.661
flat angles C4'-P-C4' energy: -25.422
flat angles P-C4'-P energy: -18.040
tors. eta vs tors. theta energy: -23.854
Dist. restrs. and SS energy: 0.787 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -321.032205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.032205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.143070 (E_RNA)
where:
Base-Base interactions energy: -210.166
where: short stacking energy: -83.157
Base-Backbone interact. energy: -0.352
local terms energy: -110.624471
where:
bonds (distance) C4'-P energy: -22.033
bonds (distance) P-C4' energy: -27.490
flat angles C4'-P-C4' energy: -19.382
flat angles P-C4'-P energy: -20.451
tors. eta vs tors. theta energy: -21.268
Dist. restrs. and SS energy: 0.111 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -324.876010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.876010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.433118 (E_RNA)
where:
Base-Base interactions energy: -214.185
where: short stacking energy: -75.892
Base-Backbone interact. energy: -1.925
local terms energy: -109.323301
where:
bonds (distance) C4'-P energy: -22.035
bonds (distance) P-C4' energy: -24.847
flat angles C4'-P-C4' energy: -24.379
flat angles P-C4'-P energy: -16.541
tors. eta vs tors. theta energy: -21.521
Dist. restrs. and SS energy: 0.557 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -419.969808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.969808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.092468 (E_RNA)
where:
Base-Base interactions energy: -282.892
where: short stacking energy: -115.801
Base-Backbone interact. energy: -0.214
local terms energy: -136.986565
where:
bonds (distance) C4'-P energy: -28.796
bonds (distance) P-C4' energy: -29.685
flat angles C4'-P-C4' energy: -30.854
flat angles P-C4'-P energy: -14.768
tors. eta vs tors. theta energy: -32.883
Dist. restrs. and SS energy: 0.123 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -408.317866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.317866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.438359 (E_RNA)
where:
Base-Base interactions energy: -277.724
where: short stacking energy: -109.094
Base-Backbone interact. energy: -1.196
local terms energy: -130.519238
where:
bonds (distance) C4'-P energy: -26.535
bonds (distance) P-C4' energy: -22.791
flat angles C4'-P-C4' energy: -25.663
flat angles P-C4'-P energy: -21.490
tors. eta vs tors. theta energy: -34.039
Dist. restrs. and SS energy: 1.120 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -397.184327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.184327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.340091 (E_RNA)
where:
Base-Base interactions energy: -276.128
where: short stacking energy: -119.586
Base-Backbone interact. energy: 0.626
local terms energy: -121.837548
where:
bonds (distance) C4'-P energy: -25.228
bonds (distance) P-C4' energy: -19.137
flat angles C4'-P-C4' energy: -29.090
flat angles P-C4'-P energy: -14.942
tors. eta vs tors. theta energy: -33.442
Dist. restrs. and SS energy: 0.156 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -380.545926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.545926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.619629 (E_RNA)
where:
Base-Base interactions energy: -252.487
where: short stacking energy: -95.402
Base-Backbone interact. energy: -2.008
local terms energy: -126.124918
where:
bonds (distance) C4'-P energy: -23.948
bonds (distance) P-C4' energy: -29.250
flat angles C4'-P-C4' energy: -25.931
flat angles P-C4'-P energy: -16.819
tors. eta vs tors. theta energy: -30.177
Dist. restrs. and SS energy: 0.074 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -377.321846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.321846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.192001 (E_RNA)
where:
Base-Base interactions energy: -247.952
where: short stacking energy: -97.521
Base-Backbone interact. energy: 1.010
local terms energy: -131.250240
where:
bonds (distance) C4'-P energy: -22.995
bonds (distance) P-C4' energy: -27.469
flat angles C4'-P-C4' energy: -30.378
flat angles P-C4'-P energy: -21.428
tors. eta vs tors. theta energy: -28.980
Dist. restrs. and SS energy: 0.870 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -360.785430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.785430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.917849 (E_RNA)
where:
Base-Base interactions energy: -232.651
where: short stacking energy: -100.781
Base-Backbone interact. energy: 0.510
local terms energy: -128.776497
where:
bonds (distance) C4'-P energy: -22.638
bonds (distance) P-C4' energy: -26.312
flat angles C4'-P-C4' energy: -29.780
flat angles P-C4'-P energy: -25.151
tors. eta vs tors. theta energy: -24.896
Dist. restrs. and SS energy: 0.132 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -348.740237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.740237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.818203 (E_RNA)
where:
Base-Base interactions energy: -234.631
where: short stacking energy: -94.504
Base-Backbone interact. energy: -1.573
local terms energy: -112.613751
where:
bonds (distance) C4'-P energy: -23.728
bonds (distance) P-C4' energy: -24.375
flat angles C4'-P-C4' energy: -21.677
flat angles P-C4'-P energy: -19.889
tors. eta vs tors. theta energy: -22.945
Dist. restrs. and SS energy: 0.078 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -324.485300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.485300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.956471 (E_RNA)
where:
Base-Base interactions energy: -206.681
where: short stacking energy: -80.872
Base-Backbone interact. energy: 0.104
local terms energy: -118.378719
where:
bonds (distance) C4'-P energy: -24.296
bonds (distance) P-C4' energy: -20.967
flat angles C4'-P-C4' energy: -28.197
flat angles P-C4'-P energy: -23.295
tors. eta vs tors. theta energy: -21.624
Dist. restrs. and SS energy: 0.471 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -336.421926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.421926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.087347 (E_RNA)
where:
Base-Base interactions energy: -233.470
where: short stacking energy: -85.095
Base-Backbone interact. energy: -1.858
local terms energy: -101.759053
where:
bonds (distance) C4'-P energy: -20.615
bonds (distance) P-C4' energy: -17.201
flat angles C4'-P-C4' energy: -22.354
flat angles P-C4'-P energy: -19.067
tors. eta vs tors. theta energy: -22.522
Dist. restrs. and SS energy: 0.665 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -301.621802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.621802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.836895 (E_RNA)
where:
Base-Base interactions energy: -218.425
where: short stacking energy: -74.636
Base-Backbone interact. energy: 1.399
local terms energy: -84.811018
where:
bonds (distance) C4'-P energy: -14.495
bonds (distance) P-C4' energy: -21.310
flat angles C4'-P-C4' energy: -24.966
flat angles P-C4'-P energy: -8.162
tors. eta vs tors. theta energy: -15.877
Dist. restrs. and SS energy: 0.215 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -415.692765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.692765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.867845 (E_RNA)
where:
Base-Base interactions energy: -287.510
where: short stacking energy: -116.726
Base-Backbone interact. energy: -0.788
local terms energy: -127.570058
where:
bonds (distance) C4'-P energy: -26.671
bonds (distance) P-C4' energy: -27.096
flat angles C4'-P-C4' energy: -27.704
flat angles P-C4'-P energy: -13.894
tors. eta vs tors. theta energy: -32.204
Dist. restrs. and SS energy: 0.175 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -396.133077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.133077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.295066 (E_RNA)
where:
Base-Base interactions energy: -269.495
where: short stacking energy: -121.596
Base-Backbone interact. energy: -0.087
local terms energy: -126.713715
where:
bonds (distance) C4'-P energy: -24.830
bonds (distance) P-C4' energy: -22.355
flat angles C4'-P-C4' energy: -29.594
flat angles P-C4'-P energy: -19.139
tors. eta vs tors. theta energy: -30.795
Dist. restrs. and SS energy: 0.162 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -422.526878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.526878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.693097 (E_RNA)
where:
Base-Base interactions energy: -274.070
where: short stacking energy: -116.282
Base-Backbone interact. energy: -1.073
local terms energy: -147.549389
where:
bonds (distance) C4'-P energy: -29.283
bonds (distance) P-C4' energy: -33.267
flat angles C4'-P-C4' energy: -31.674
flat angles P-C4'-P energy: -20.784
tors. eta vs tors. theta energy: -32.542
Dist. restrs. and SS energy: 0.166 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -387.241176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.241176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.644775 (E_RNA)
where:
Base-Base interactions energy: -267.382
where: short stacking energy: -114.886
Base-Backbone interact. energy: 0.203
local terms energy: -120.466398
where:
bonds (distance) C4'-P energy: -19.845
bonds (distance) P-C4' energy: -25.831
flat angles C4'-P-C4' energy: -28.702
flat angles P-C4'-P energy: -12.280
tors. eta vs tors. theta energy: -33.809
Dist. restrs. and SS energy: 0.404 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -371.676076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.676076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.076479 (E_RNA)
where:
Base-Base interactions energy: -247.100
where: short stacking energy: -107.708
Base-Backbone interact. energy: 0.404
local terms energy: -125.381356
where:
bonds (distance) C4'-P energy: -23.958
bonds (distance) P-C4' energy: -25.335
flat angles C4'-P-C4' energy: -27.532
flat angles P-C4'-P energy: -15.803
tors. eta vs tors. theta energy: -32.753
Dist. restrs. and SS energy: 0.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -359.653302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.653302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.994479 (E_RNA)
where:
Base-Base interactions energy: -240.790
where: short stacking energy: -89.350
Base-Backbone interact. energy: -1.101
local terms energy: -118.102944
where:
bonds (distance) C4'-P energy: -23.103
bonds (distance) P-C4' energy: -25.289
flat angles C4'-P-C4' energy: -23.065
flat angles P-C4'-P energy: -16.685
tors. eta vs tors. theta energy: -29.960
Dist. restrs. and SS energy: 0.341 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -340.532840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.532840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.635473 (E_RNA)
where:
Base-Base interactions energy: -219.857
where: short stacking energy: -84.785
Base-Backbone interact. energy: -0.300
local terms energy: -120.478677
where:
bonds (distance) C4'-P energy: -26.944
bonds (distance) P-C4' energy: -25.631
flat angles C4'-P-C4' energy: -24.437
flat angles P-C4'-P energy: -17.481
tors. eta vs tors. theta energy: -25.985
Dist. restrs. and SS energy: 0.103 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -320.703510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.703510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.134241 (E_RNA)
where:
Base-Base interactions energy: -203.115
where: short stacking energy: -80.040
Base-Backbone interact. energy: 0.635
local terms energy: -118.654283
where:
bonds (distance) C4'-P energy: -29.466
bonds (distance) P-C4' energy: -25.939
flat angles C4'-P-C4' energy: -20.864
flat angles P-C4'-P energy: -18.413
tors. eta vs tors. theta energy: -23.972
Dist. restrs. and SS energy: 0.431 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -330.201915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.201915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.633302 (E_RNA)
where:
Base-Base interactions energy: -225.214
where: short stacking energy: -84.781
Base-Backbone interact. energy: 0.854
local terms energy: -106.273313
where:
bonds (distance) C4'-P energy: -23.141
bonds (distance) P-C4' energy: -27.195
flat angles C4'-P-C4' energy: -25.537
flat angles P-C4'-P energy: -14.166
tors. eta vs tors. theta energy: -16.235
Dist. restrs. and SS energy: 0.431 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -326.014061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.014061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.332479 (E_RNA)
where:
Base-Base interactions energy: -229.523
where: short stacking energy: -95.887
Base-Backbone interact. energy: -0.454
local terms energy: -96.355512
where:
bonds (distance) C4'-P energy: -13.773
bonds (distance) P-C4' energy: -16.899
flat angles C4'-P-C4' energy: -20.004
flat angles P-C4'-P energy: -19.708
tors. eta vs tors. theta energy: -25.972
Dist. restrs. and SS energy: 0.318 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -420.129337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.129337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.589369 (E_RNA)
where:
Base-Base interactions energy: -287.985
where: short stacking energy: -124.745
Base-Backbone interact. energy: 0.193
local terms energy: -132.797323
where:
bonds (distance) C4'-P energy: -29.983
bonds (distance) P-C4' energy: -20.905
flat angles C4'-P-C4' energy: -29.287
flat angles P-C4'-P energy: -22.372
tors. eta vs tors. theta energy: -30.250
Dist. restrs. and SS energy: 0.460 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -391.731453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.731453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.262781 (E_RNA)
where:
Base-Base interactions energy: -278.281
where: short stacking energy: -122.641
Base-Backbone interact. energy: -0.259
local terms energy: -113.723597
where:
bonds (distance) C4'-P energy: -19.733
bonds (distance) P-C4' energy: -21.809
flat angles C4'-P-C4' energy: -24.906
flat angles P-C4'-P energy: -9.900
tors. eta vs tors. theta energy: -37.376
Dist. restrs. and SS energy: 0.531 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -404.359945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.359945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.890325 (E_RNA)
where:
Base-Base interactions energy: -276.910
where: short stacking energy: -105.560
Base-Backbone interact. energy: 0.688
local terms energy: -128.668791
where:
bonds (distance) C4'-P energy: -28.304
bonds (distance) P-C4' energy: -25.667
flat angles C4'-P-C4' energy: -29.563
flat angles P-C4'-P energy: -17.020
tors. eta vs tors. theta energy: -28.114
Dist. restrs. and SS energy: 0.530 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -374.795221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.795221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.094044 (E_RNA)
where:
Base-Base interactions energy: -250.608
where: short stacking energy: -100.394
Base-Backbone interact. energy: -1.305
local terms energy: -123.181804
where:
bonds (distance) C4'-P energy: -29.582
bonds (distance) P-C4' energy: -22.700
flat angles C4'-P-C4' energy: -28.342
flat angles P-C4'-P energy: -16.340
tors. eta vs tors. theta energy: -26.217
Dist. restrs. and SS energy: 0.299 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -379.531523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.531523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.803487 (E_RNA)
where:
Base-Base interactions energy: -263.923
where: short stacking energy: -110.619
Base-Backbone interact. energy: -0.492
local terms energy: -115.388766
where:
bonds (distance) C4'-P energy: -24.054
bonds (distance) P-C4' energy: -24.742
flat angles C4'-P-C4' energy: -23.679
flat angles P-C4'-P energy: -13.803
tors. eta vs tors. theta energy: -29.110
Dist. restrs. and SS energy: 0.272 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -359.020215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.020215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.344929 (E_RNA)
where:
Base-Base interactions energy: -233.113
where: short stacking energy: -91.648
Base-Backbone interact. energy: -0.312
local terms energy: -125.919853
where:
bonds (distance) C4'-P energy: -26.294
bonds (distance) P-C4' energy: -28.114
flat angles C4'-P-C4' energy: -25.049
flat angles P-C4'-P energy: -20.343
tors. eta vs tors. theta energy: -26.120
Dist. restrs. and SS energy: 0.325 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -348.306358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.306358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.424201 (E_RNA)
where:
Base-Base interactions energy: -234.390
where: short stacking energy: -89.939
Base-Backbone interact. energy: 0.678
local terms energy: -114.711453
where:
bonds (distance) C4'-P energy: -23.049
bonds (distance) P-C4' energy: -26.328
flat angles C4'-P-C4' energy: -23.599
flat angles P-C4'-P energy: -14.765
tors. eta vs tors. theta energy: -26.971
Dist. restrs. and SS energy: 0.118 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -346.450298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.450298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.978087 (E_RNA)
where:
Base-Base interactions energy: -226.020
where: short stacking energy: -92.079
Base-Backbone interact. energy: -0.428
local terms energy: -120.530164
where:
bonds (distance) C4'-P energy: -23.556
bonds (distance) P-C4' energy: -24.994
flat angles C4'-P-C4' energy: -28.485
flat angles P-C4'-P energy: -19.488
tors. eta vs tors. theta energy: -24.009
Dist. restrs. and SS energy: 0.528 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -345.314473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.314473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.442442 (E_RNA)
where:
Base-Base interactions energy: -238.899
where: short stacking energy: -85.258
Base-Backbone interact. energy: 2.194
local terms energy: -108.737645
where:
bonds (distance) C4'-P energy: -19.356
bonds (distance) P-C4' energy: -24.668
flat angles C4'-P-C4' energy: -23.422
flat angles P-C4'-P energy: -17.063
tors. eta vs tors. theta energy: -24.229
Dist. restrs. and SS energy: 0.128 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -316.703052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.703052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.214409 (E_RNA)
where:
Base-Base interactions energy: -208.453
where: short stacking energy: -85.459
Base-Backbone interact. energy: -0.063
local terms energy: -108.698286
where:
bonds (distance) C4'-P energy: -20.551
bonds (distance) P-C4' energy: -22.663
flat angles C4'-P-C4' energy: -28.867
flat angles P-C4'-P energy: -12.520
tors. eta vs tors. theta energy: -24.097
Dist. restrs. and SS energy: 0.511 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -418.776878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.776878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.907385 (E_RNA)
where:
Base-Base interactions energy: -275.767
where: short stacking energy: -117.258
Base-Backbone interact. energy: -0.465
local terms energy: -142.675103
where:
bonds (distance) C4'-P energy: -27.471
bonds (distance) P-C4' energy: -30.553
flat angles C4'-P-C4' energy: -30.703
flat angles P-C4'-P energy: -21.667
tors. eta vs tors. theta energy: -32.281
Dist. restrs. and SS energy: 0.131 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -406.625379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.625379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.750743 (E_RNA)
where:
Base-Base interactions energy: -276.351
where: short stacking energy: -120.907
Base-Backbone interact. energy: -1.426
local terms energy: -128.974335
where:
bonds (distance) C4'-P energy: -23.862
bonds (distance) P-C4' energy: -28.354
flat angles C4'-P-C4' energy: -27.519
flat angles P-C4'-P energy: -16.122
tors. eta vs tors. theta energy: -33.118
Dist. restrs. and SS energy: 0.125 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -400.267212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.267212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.710234 (E_RNA)
where:
Base-Base interactions energy: -269.460
where: short stacking energy: -113.054
Base-Backbone interact. energy: -0.595
local terms energy: -130.654751
where:
bonds (distance) C4'-P energy: -23.829
bonds (distance) P-C4' energy: -28.059
flat angles C4'-P-C4' energy: -30.290
flat angles P-C4'-P energy: -14.966
tors. eta vs tors. theta energy: -33.511
Dist. restrs. and SS energy: 0.443 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -383.358755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.358755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.711131 (E_RNA)
where:
Base-Base interactions energy: -253.836
where: short stacking energy: -99.675
Base-Backbone interact. energy: -0.762
local terms energy: -129.113097
where:
bonds (distance) C4'-P energy: -27.265
bonds (distance) P-C4' energy: -30.205
flat angles C4'-P-C4' energy: -25.957
flat angles P-C4'-P energy: -15.571
tors. eta vs tors. theta energy: -30.116
Dist. restrs. and SS energy: 0.352 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -372.184323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.184323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.411507 (E_RNA)
where:
Base-Base interactions energy: -247.412
where: short stacking energy: -102.403
Base-Backbone interact. energy: -0.092
local terms energy: -124.907565
where:
bonds (distance) C4'-P energy: -19.299
bonds (distance) P-C4' energy: -26.543
flat angles C4'-P-C4' energy: -28.854
flat angles P-C4'-P energy: -19.274
tors. eta vs tors. theta energy: -30.937
Dist. restrs. and SS energy: 0.227 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -350.953537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.953537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.292831 (E_RNA)
where:
Base-Base interactions energy: -239.203
where: short stacking energy: -102.016
Base-Backbone interact. energy: -0.043
local terms energy: -112.046630
where:
bonds (distance) C4'-P energy: -29.475
bonds (distance) P-C4' energy: -21.031
flat angles C4'-P-C4' energy: -23.483
flat angles P-C4'-P energy: -11.861
tors. eta vs tors. theta energy: -26.196
Dist. restrs. and SS energy: 0.339 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -349.411921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.411921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.472719 (E_RNA)
where:
Base-Base interactions energy: -231.939
where: short stacking energy: -89.742
Base-Backbone interact. energy: -0.211
local terms energy: -117.322643
where:
bonds (distance) C4'-P energy: -27.852
bonds (distance) P-C4' energy: -28.220
flat angles C4'-P-C4' energy: -21.580
flat angles P-C4'-P energy: -14.485
tors. eta vs tors. theta energy: -25.186
Dist. restrs. and SS energy: 0.061 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -355.093230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.093230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.306234 (E_RNA)
where:
Base-Base interactions energy: -249.824
where: short stacking energy: -95.577
Base-Backbone interact. energy: -0.399
local terms energy: -105.082995
where:
bonds (distance) C4'-P energy: -26.443
bonds (distance) P-C4' energy: -17.551
flat angles C4'-P-C4' energy: -24.048
flat angles P-C4'-P energy: -12.837
tors. eta vs tors. theta energy: -24.204
Dist. restrs. and SS energy: 0.213 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -315.556418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.556418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.672017 (E_RNA)
where:
Base-Base interactions energy: -217.744
where: short stacking energy: -79.352
Base-Backbone interact. energy: 0.723
local terms energy: -98.651502
where:
bonds (distance) C4'-P energy: -23.623
bonds (distance) P-C4' energy: -23.210
flat angles C4'-P-C4' energy: -28.002
flat angles P-C4'-P energy: -4.677
tors. eta vs tors. theta energy: -19.140
Dist. restrs. and SS energy: 0.116 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -312.260369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.260369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.629900 (E_RNA)
where:
Base-Base interactions energy: -213.281
where: short stacking energy: -83.659
Base-Backbone interact. energy: 2.243
local terms energy: -101.591884
where:
bonds (distance) C4'-P energy: -21.327
bonds (distance) P-C4' energy: -26.440
flat angles C4'-P-C4' energy: -26.635
flat angles P-C4'-P energy: -6.104
tors. eta vs tors. theta energy: -21.086
Dist. restrs. and SS energy: 0.370 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -405.180862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.180862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.647733 (E_RNA)
where:
Base-Base interactions energy: -273.949
where: short stacking energy: -113.052
Base-Backbone interact. energy: -0.236
local terms energy: -131.462621
where:
bonds (distance) C4'-P energy: -30.005
bonds (distance) P-C4' energy: -26.441
flat angles C4'-P-C4' energy: -26.417
flat angles P-C4'-P energy: -18.378
tors. eta vs tors. theta energy: -30.222
Dist. restrs. and SS energy: 0.467 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -407.988707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.988707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.557697 (E_RNA)
where:
Base-Base interactions energy: -281.865
where: short stacking energy: -107.109
Base-Backbone interact. energy: -0.303
local terms energy: -126.389591
where:
bonds (distance) C4'-P energy: -29.147
bonds (distance) P-C4' energy: -26.239
flat angles C4'-P-C4' energy: -25.129
flat angles P-C4'-P energy: -12.063
tors. eta vs tors. theta energy: -33.811
Dist. restrs. and SS energy: 0.569 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -397.822401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.822401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.974906 (E_RNA)
where:
Base-Base interactions energy: -270.893
where: short stacking energy: -112.161
Base-Backbone interact. energy: -0.536
local terms energy: -126.545478
where:
bonds (distance) C4'-P energy: -24.621
bonds (distance) P-C4' energy: -26.045
flat angles C4'-P-C4' energy: -26.495
flat angles P-C4'-P energy: -20.863
tors. eta vs tors. theta energy: -28.521
Dist. restrs. and SS energy: 0.153 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -384.515130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.515130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.740304 (E_RNA)
where:
Base-Base interactions energy: -265.658
where: short stacking energy: -92.030
Base-Backbone interact. energy: -0.413
local terms energy: -118.669774
where:
bonds (distance) C4'-P energy: -23.737
bonds (distance) P-C4' energy: -29.710
flat angles C4'-P-C4' energy: -16.607
flat angles P-C4'-P energy: -19.982
tors. eta vs tors. theta energy: -28.634
Dist. restrs. and SS energy: 0.225 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -360.778416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.778416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.030573 (E_RNA)
where:
Base-Base interactions energy: -236.525
where: short stacking energy: -92.077
Base-Backbone interact. energy: 1.100
local terms energy: -125.605575
where:
bonds (distance) C4'-P energy: -23.603
bonds (distance) P-C4' energy: -25.670
flat angles C4'-P-C4' energy: -30.575
flat angles P-C4'-P energy: -15.327
tors. eta vs tors. theta energy: -30.430
Dist. restrs. and SS energy: 0.252 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -347.908485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.908485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.039384 (E_RNA)
where:
Base-Base interactions energy: -233.342
where: short stacking energy: -97.485
Base-Backbone interact. energy: -0.240
local terms energy: -114.457394
where:
bonds (distance) C4'-P energy: -18.936
bonds (distance) P-C4' energy: -28.075
flat angles C4'-P-C4' energy: -22.777
flat angles P-C4'-P energy: -17.213
tors. eta vs tors. theta energy: -27.457
Dist. restrs. and SS energy: 0.131 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -356.085025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.085025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.463972 (E_RNA)
where:
Base-Base interactions energy: -240.895
where: short stacking energy: -97.050
Base-Backbone interact. energy: -0.315
local terms energy: -115.254524
where:
bonds (distance) C4'-P energy: -18.178
bonds (distance) P-C4' energy: -30.333
flat angles C4'-P-C4' energy: -30.054
flat angles P-C4'-P energy: -15.293
tors. eta vs tors. theta energy: -21.397
Dist. restrs. and SS energy: 0.379 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -334.641968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.641968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.889952 (E_RNA)
where:
Base-Base interactions energy: -225.314
where: short stacking energy: -93.063
Base-Backbone interact. energy: -1.084
local terms energy: -108.492487
where:
bonds (distance) C4'-P energy: -27.804
bonds (distance) P-C4' energy: -22.877
flat angles C4'-P-C4' energy: -23.576
flat angles P-C4'-P energy: -12.606
tors. eta vs tors. theta energy: -21.630
Dist. restrs. and SS energy: 0.248 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -343.986307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.986307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.408020 (E_RNA)
where:
Base-Base interactions energy: -234.799
where: short stacking energy: -88.884
Base-Backbone interact. energy: -0.439
local terms energy: -109.170799
where:
bonds (distance) C4'-P energy: -24.621
bonds (distance) P-C4' energy: -25.566
flat angles C4'-P-C4' energy: -21.666
flat angles P-C4'-P energy: -13.498
tors. eta vs tors. theta energy: -23.819
Dist. restrs. and SS energy: 0.422 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -309.030394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.030394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.291082 (E_RNA)
where:
Base-Base interactions energy: -205.277
where: short stacking energy: -78.290
Base-Backbone interact. energy: 6.803
local terms energy: -110.816877
where:
bonds (distance) C4'-P energy: -27.065
bonds (distance) P-C4' energy: -22.822
flat angles C4'-P-C4' energy: -21.769
flat angles P-C4'-P energy: -14.887
tors. eta vs tors. theta energy: -24.275
Dist. restrs. and SS energy: 0.261 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -414.941276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.941276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.509654 (E_RNA)
where:
Base-Base interactions energy: -282.203
where: short stacking energy: -131.827
Base-Backbone interact. energy: 0.188
local terms energy: -133.494207
where:
bonds (distance) C4'-P energy: -27.491
bonds (distance) P-C4' energy: -26.140
flat angles C4'-P-C4' energy: -27.569
flat angles P-C4'-P energy: -18.695
tors. eta vs tors. theta energy: -33.600
Dist. restrs. and SS energy: 0.568 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -413.162194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.162194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.902858 (E_RNA)
where:
Base-Base interactions energy: -276.138
where: short stacking energy: -108.722
Base-Backbone interact. energy: -1.912
local terms energy: -135.852783
where:
bonds (distance) C4'-P energy: -23.977
bonds (distance) P-C4' energy: -26.340
flat angles C4'-P-C4' energy: -27.645
flat angles P-C4'-P energy: -22.832
tors. eta vs tors. theta energy: -35.058
Dist. restrs. and SS energy: 0.741 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -390.540997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.540997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.900251 (E_RNA)
where:
Base-Base interactions energy: -262.290
where: short stacking energy: -111.636
Base-Backbone interact. energy: -0.382
local terms energy: -128.228307
where:
bonds (distance) C4'-P energy: -24.552
bonds (distance) P-C4' energy: -28.036
flat angles C4'-P-C4' energy: -29.262
flat angles P-C4'-P energy: -12.639
tors. eta vs tors. theta energy: -33.739
Dist. restrs. and SS energy: 0.359 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -377.404002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.404002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.540159 (E_RNA)
where:
Base-Base interactions energy: -244.112
where: short stacking energy: -89.352
Base-Backbone interact. energy: -0.672
local terms energy: -132.756727
where:
bonds (distance) C4'-P energy: -29.048
bonds (distance) P-C4' energy: -23.876
flat angles C4'-P-C4' energy: -25.930
flat angles P-C4'-P energy: -26.418
tors. eta vs tors. theta energy: -27.484
Dist. restrs. and SS energy: 0.136 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -371.132578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.132578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.221003 (E_RNA)
where:
Base-Base interactions energy: -247.117
where: short stacking energy: -88.194
Base-Backbone interact. energy: -2.395
local terms energy: -121.709356
where:
bonds (distance) C4'-P energy: -23.258
bonds (distance) P-C4' energy: -26.738
flat angles C4'-P-C4' energy: -27.441
flat angles P-C4'-P energy: -16.715
tors. eta vs tors. theta energy: -27.557
Dist. restrs. and SS energy: 0.088 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -363.914887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.914887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.474264 (E_RNA)
where:
Base-Base interactions energy: -238.742
where: short stacking energy: -93.839
Base-Backbone interact. energy: -1.829
local terms energy: -123.903370
where:
bonds (distance) C4'-P energy: -22.244
bonds (distance) P-C4' energy: -27.224
flat angles C4'-P-C4' energy: -26.643
flat angles P-C4'-P energy: -16.726
tors. eta vs tors. theta energy: -31.065
Dist. restrs. and SS energy: 0.559 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -345.889469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.889469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.165999 (E_RNA)
where:
Base-Base interactions energy: -233.385
where: short stacking energy: -97.900
Base-Backbone interact. energy: -0.101
local terms energy: -112.679734
where:
bonds (distance) C4'-P energy: -23.753
bonds (distance) P-C4' energy: -21.536
flat angles C4'-P-C4' energy: -24.046
flat angles P-C4'-P energy: -17.011
tors. eta vs tors. theta energy: -26.333
Dist. restrs. and SS energy: 0.277 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -342.543451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.543451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.322971 (E_RNA)
where:
Base-Base interactions energy: -225.908
where: short stacking energy: -92.233
Base-Backbone interact. energy: 0.306
local terms energy: -117.720570
where:
bonds (distance) C4'-P energy: -23.882
bonds (distance) P-C4' energy: -25.682
flat angles C4'-P-C4' energy: -25.826
flat angles P-C4'-P energy: -18.103
tors. eta vs tors. theta energy: -24.229
Dist. restrs. and SS energy: 0.780 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -324.430763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.430763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.756276 (E_RNA)
where:
Base-Base interactions energy: -221.292
where: short stacking energy: -85.165
Base-Backbone interact. energy: -1.556
local terms energy: -101.908981
where:
bonds (distance) C4'-P energy: -17.546
bonds (distance) P-C4' energy: -24.271
flat angles C4'-P-C4' energy: -25.203
flat angles P-C4'-P energy: -13.271
tors. eta vs tors. theta energy: -21.618
Dist. restrs. and SS energy: 0.326 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -340.076532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.076532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.344627 (E_RNA)
where:
Base-Base interactions energy: -240.841
where: short stacking energy: -96.971
Base-Backbone interact. energy: -0.689
local terms energy: -98.815019
where:
bonds (distance) C4'-P energy: -15.824
bonds (distance) P-C4' energy: -25.120
flat angles C4'-P-C4' energy: -21.622
flat angles P-C4'-P energy: -6.280
tors. eta vs tors. theta energy: -29.970
Dist. restrs. and SS energy: 0.268 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -425.132740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.132740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.320854 (E_RNA)
where:
Base-Base interactions energy: -288.353
where: short stacking energy: -122.604
Base-Backbone interact. energy: -0.749
local terms energy: -136.218448
where:
bonds (distance) C4'-P energy: -30.517
bonds (distance) P-C4' energy: -26.309
flat angles C4'-P-C4' energy: -30.395
flat angles P-C4'-P energy: -15.700
tors. eta vs tors. theta energy: -33.298
Dist. restrs. and SS energy: 0.188 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -409.095904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.095904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.333950 (E_RNA)
where:
Base-Base interactions energy: -266.990
where: short stacking energy: -117.878
Base-Backbone interact. energy: -0.723
local terms energy: -141.620821
where:
bonds (distance) C4'-P energy: -30.319
bonds (distance) P-C4' energy: -27.516
flat angles C4'-P-C4' energy: -29.816
flat angles P-C4'-P energy: -19.952
tors. eta vs tors. theta energy: -34.018
Dist. restrs. and SS energy: 0.238 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -385.259376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.259376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.539865 (E_RNA)
where:
Base-Base interactions energy: -267.141
where: short stacking energy: -112.668
Base-Backbone interact. energy: -0.950
local terms energy: -117.449294
where:
bonds (distance) C4'-P energy: -22.978
bonds (distance) P-C4' energy: -24.582
flat angles C4'-P-C4' energy: -24.199
flat angles P-C4'-P energy: -17.033
tors. eta vs tors. theta energy: -28.657
Dist. restrs. and SS energy: 0.280 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -388.131126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.131126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.331332 (E_RNA)
where:
Base-Base interactions energy: -264.542
where: short stacking energy: -102.124
Base-Backbone interact. energy: 1.572
local terms energy: -125.361520
where:
bonds (distance) C4'-P energy: -28.957
bonds (distance) P-C4' energy: -28.490
flat angles C4'-P-C4' energy: -24.554
flat angles P-C4'-P energy: -13.917
tors. eta vs tors. theta energy: -29.443
Dist. restrs. and SS energy: 0.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -379.605489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.605489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.716391 (E_RNA)
where:
Base-Base interactions energy: -258.105
where: short stacking energy: -99.928
Base-Backbone interact. energy: -0.134
local terms energy: -121.477032
where:
bonds (distance) C4'-P energy: -25.817
bonds (distance) P-C4' energy: -25.364
flat angles C4'-P-C4' energy: -28.643
flat angles P-C4'-P energy: -16.983
tors. eta vs tors. theta energy: -24.670
Dist. restrs. and SS energy: 0.111 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -372.562405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.562405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.663837 (E_RNA)
where:
Base-Base interactions energy: -253.176
where: short stacking energy: -101.499
Base-Backbone interact. energy: -0.080
local terms energy: -119.407819
where:
bonds (distance) C4'-P energy: -26.497
bonds (distance) P-C4' energy: -18.842
flat angles C4'-P-C4' energy: -29.262
flat angles P-C4'-P energy: -14.807
tors. eta vs tors. theta energy: -30.000
Dist. restrs. and SS energy: 0.101 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -361.917177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.917177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.953868 (E_RNA)
where:
Base-Base interactions energy: -236.848
where: short stacking energy: -91.366
Base-Backbone interact. energy: -1.562
local terms energy: -123.543439
where:
bonds (distance) C4'-P energy: -29.310
bonds (distance) P-C4' energy: -25.000
flat angles C4'-P-C4' energy: -22.957
flat angles P-C4'-P energy: -16.740
tors. eta vs tors. theta energy: -29.536
Dist. restrs. and SS energy: 0.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -348.046158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.046158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.378896 (E_RNA)
where:
Base-Base interactions energy: -238.608
where: short stacking energy: -95.733
Base-Backbone interact. energy: -0.243
local terms energy: -109.527081
where:
bonds (distance) C4'-P energy: -24.979
bonds (distance) P-C4' energy: -22.248
flat angles C4'-P-C4' energy: -27.893
flat angles P-C4'-P energy: -8.230
tors. eta vs tors. theta energy: -26.177
Dist. restrs. and SS energy: 0.333 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -325.796706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.796706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.190913 (E_RNA)
where:
Base-Base interactions energy: -219.401
where: short stacking energy: -81.564
Base-Backbone interact. energy: -0.261
local terms energy: -106.528124
where:
bonds (distance) C4'-P energy: -19.220
bonds (distance) P-C4' energy: -23.793
flat angles C4'-P-C4' energy: -27.517
flat angles P-C4'-P energy: -15.296
tors. eta vs tors. theta energy: -20.702
Dist. restrs. and SS energy: 0.394 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -324.787706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.787706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.899435 (E_RNA)
where:
Base-Base interactions energy: -212.893
where: short stacking energy: -79.780
Base-Backbone interact. energy: -0.874
local terms energy: -111.132766
where:
bonds (distance) C4'-P energy: -25.606
bonds (distance) P-C4' energy: -25.623
flat angles C4'-P-C4' energy: -26.541
flat angles P-C4'-P energy: -10.086
tors. eta vs tors. theta energy: -23.276
Dist. restrs. and SS energy: 0.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -410.850944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.850944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.166144 (E_RNA)
where:
Base-Base interactions energy: -279.255
where: short stacking energy: -107.792
Base-Backbone interact. energy: -0.287
local terms energy: -131.624051
where:
bonds (distance) C4'-P energy: -27.661
bonds (distance) P-C4' energy: -27.657
flat angles C4'-P-C4' energy: -31.710
flat angles P-C4'-P energy: -13.573
tors. eta vs tors. theta energy: -31.023
Dist. restrs. and SS energy: 0.315 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -404.747258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.747258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.849335 (E_RNA)
where:
Base-Base interactions energy: -267.427
where: short stacking energy: -110.073
Base-Backbone interact. energy: -0.465
local terms energy: -136.957647
where:
bonds (distance) C4'-P energy: -30.410
bonds (distance) P-C4' energy: -27.061
flat angles C4'-P-C4' energy: -28.545
flat angles P-C4'-P energy: -15.617
tors. eta vs tors. theta energy: -35.325
Dist. restrs. and SS energy: 0.102 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -406.015720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.015720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.132036 (E_RNA)
where:
Base-Base interactions energy: -274.342
where: short stacking energy: -117.283
Base-Backbone interact. energy: -0.625
local terms energy: -131.164840
where:
bonds (distance) C4'-P energy: -22.242
bonds (distance) P-C4' energy: -28.696
flat angles C4'-P-C4' energy: -34.584
flat angles P-C4'-P energy: -14.740
tors. eta vs tors. theta energy: -30.903
Dist. restrs. and SS energy: 0.116 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -392.341642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.341642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.408060 (E_RNA)
where:
Base-Base interactions energy: -263.070
where: short stacking energy: -106.942
Base-Backbone interact. energy: -0.639
local terms energy: -128.698834
where:
bonds (distance) C4'-P energy: -26.440
bonds (distance) P-C4' energy: -23.933
flat angles C4'-P-C4' energy: -29.435
flat angles P-C4'-P energy: -15.519
tors. eta vs tors. theta energy: -33.373
Dist. restrs. and SS energy: 0.066 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -381.113963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.113963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.176093 (E_RNA)
where:
Base-Base interactions energy: -262.037
where: short stacking energy: -103.999
Base-Backbone interact. energy: -0.193
local terms energy: -118.945394
where:
bonds (distance) C4'-P energy: -18.678
bonds (distance) P-C4' energy: -25.388
flat angles C4'-P-C4' energy: -26.048
flat angles P-C4'-P energy: -17.591
tors. eta vs tors. theta energy: -31.240
Dist. restrs. and SS energy: 0.062 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -362.688077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.688077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.792782 (E_RNA)
where:
Base-Base interactions energy: -244.932
where: short stacking energy: -88.159
Base-Backbone interact. energy: -0.450
local terms energy: -117.411342
where:
bonds (distance) C4'-P energy: -28.411
bonds (distance) P-C4' energy: -29.119
flat angles C4'-P-C4' energy: -22.108
flat angles P-C4'-P energy: -15.831
tors. eta vs tors. theta energy: -21.942
Dist. restrs. and SS energy: 0.105 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -346.765880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.765880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.927224 (E_RNA)
where:
Base-Base interactions energy: -235.988
where: short stacking energy: -93.555
Base-Backbone interact. energy: 0.540
local terms energy: -111.479768
where:
bonds (distance) C4'-P energy: -26.118
bonds (distance) P-C4' energy: -22.969
flat angles C4'-P-C4' energy: -24.486
flat angles P-C4'-P energy: -13.149
tors. eta vs tors. theta energy: -24.758
Dist. restrs. and SS energy: 0.161 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -344.646758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.646758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.712044 (E_RNA)
where:
Base-Base interactions energy: -228.189
where: short stacking energy: -93.718
Base-Backbone interact. energy: 0.073
local terms energy: -116.595289
where:
bonds (distance) C4'-P energy: -25.384
bonds (distance) P-C4' energy: -25.097
flat angles C4'-P-C4' energy: -21.446
flat angles P-C4'-P energy: -14.699
tors. eta vs tors. theta energy: -29.970
Dist. restrs. and SS energy: 0.065 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -353.214779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.214779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.318545 (E_RNA)
where:
Base-Base interactions energy: -247.238
where: short stacking energy: -100.623
Base-Backbone interact. energy: 0.251
local terms energy: -106.332304
where:
bonds (distance) C4'-P energy: -21.587
bonds (distance) P-C4' energy: -21.479
flat angles C4'-P-C4' energy: -21.343
flat angles P-C4'-P energy: -13.213
tors. eta vs tors. theta energy: -28.711
Dist. restrs. and SS energy: 0.104 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -326.945391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.945391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.428642 (E_RNA)
where:
Base-Base interactions energy: -218.300
where: short stacking energy: -91.242
Base-Backbone interact. energy: -1.326
local terms energy: -107.802503
where:
bonds (distance) C4'-P energy: -16.115
bonds (distance) P-C4' energy: -30.405
flat angles C4'-P-C4' energy: -22.242
flat angles P-C4'-P energy: -14.103
tors. eta vs tors. theta energy: -24.938
Dist. restrs. and SS energy: 0.483 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -421.746570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.746570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.948543 (E_RNA)
where:
Base-Base interactions energy: -283.745
where: short stacking energy: -121.009
Base-Backbone interact. energy: -1.561
local terms energy: -136.641918
where:
bonds (distance) C4'-P energy: -28.486
bonds (distance) P-C4' energy: -26.528
flat angles C4'-P-C4' energy: -27.533
flat angles P-C4'-P energy: -18.526
tors. eta vs tors. theta energy: -35.569
Dist. restrs. and SS energy: 0.202 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -411.339298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.339298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.454434 (E_RNA)
where:
Base-Base interactions energy: -277.403
where: short stacking energy: -123.058
Base-Backbone interact. energy: -0.138
local terms energy: -133.913806
where:
bonds (distance) C4'-P energy: -25.219
bonds (distance) P-C4' energy: -30.220
flat angles C4'-P-C4' energy: -27.628
flat angles P-C4'-P energy: -17.939
tors. eta vs tors. theta energy: -32.908
Dist. restrs. and SS energy: 0.115 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -391.414742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.414742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.660746 (E_RNA)
where:
Base-Base interactions energy: -270.444
where: short stacking energy: -111.850
Base-Backbone interact. energy: 0.303
local terms energy: -121.519969
where:
bonds (distance) C4'-P energy: -26.456
bonds (distance) P-C4' energy: -25.743
flat angles C4'-P-C4' energy: -26.581
flat angles P-C4'-P energy: -15.851
tors. eta vs tors. theta energy: -26.888
Dist. restrs. and SS energy: 0.246 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -397.206829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.206829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.426741 (E_RNA)
where:
Base-Base interactions energy: -274.347
where: short stacking energy: -106.087
Base-Backbone interact. energy: -0.612
local terms energy: -122.467836
where:
bonds (distance) C4'-P energy: -29.491
bonds (distance) P-C4' energy: -29.597
flat angles C4'-P-C4' energy: -22.730
flat angles P-C4'-P energy: -9.647
tors. eta vs tors. theta energy: -31.003
Dist. restrs. and SS energy: 0.220 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -392.958065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.958065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.001216 (E_RNA)
where:
Base-Base interactions energy: -263.244
where: short stacking energy: -108.201
Base-Backbone interact. energy: -0.189
local terms energy: -129.568203
where:
bonds (distance) C4'-P energy: -21.889
bonds (distance) P-C4' energy: -26.724
flat angles C4'-P-C4' energy: -29.223
flat angles P-C4'-P energy: -18.560
tors. eta vs tors. theta energy: -33.171
Dist. restrs. and SS energy: 0.043 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -372.316076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.316076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.551775 (E_RNA)
where:
Base-Base interactions energy: -253.070
where: short stacking energy: -100.535
Base-Backbone interact. energy: -0.448
local terms energy: -119.033400
where:
bonds (distance) C4'-P energy: -25.001
bonds (distance) P-C4' energy: -26.285
flat angles C4'-P-C4' energy: -28.808
flat angles P-C4'-P energy: -15.525
tors. eta vs tors. theta energy: -23.415
Dist. restrs. and SS energy: 0.236 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -349.212352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.212352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.503882 (E_RNA)
where:
Base-Base interactions energy: -236.679
where: short stacking energy: -95.672
Base-Backbone interact. energy: -0.339
local terms energy: -112.486155
where:
bonds (distance) C4'-P energy: -21.902
bonds (distance) P-C4' energy: -25.150
flat angles C4'-P-C4' energy: -26.481
flat angles P-C4'-P energy: -21.591
tors. eta vs tors. theta energy: -17.362
Dist. restrs. and SS energy: 0.292 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -346.625706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.625706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.868893 (E_RNA)
where:
Base-Base interactions energy: -228.285
where: short stacking energy: -90.654
Base-Backbone interact. energy: 0.391
local terms energy: -118.974563
where:
bonds (distance) C4'-P energy: -21.562
bonds (distance) P-C4' energy: -21.427
flat angles C4'-P-C4' energy: -31.412
flat angles P-C4'-P energy: -19.919
tors. eta vs tors. theta energy: -24.654
Dist. restrs. and SS energy: 0.243 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -339.092772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.092772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.564942 (E_RNA)
where:
Base-Base interactions energy: -224.115
where: short stacking energy: -88.687
Base-Backbone interact. energy: -0.576
local terms energy: -114.874476
where:
bonds (distance) C4'-P energy: -19.165
bonds (distance) P-C4' energy: -28.597
flat angles C4'-P-C4' energy: -23.064
flat angles P-C4'-P energy: -15.298
tors. eta vs tors. theta energy: -28.751
Dist. restrs. and SS energy: 0.472 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -322.373648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.373648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.963404 (E_RNA)
where:
Base-Base interactions energy: -217.118
where: short stacking energy: -85.730
Base-Backbone interact. energy: -0.838
local terms energy: -105.007466
where:
bonds (distance) C4'-P energy: -23.613
bonds (distance) P-C4' energy: -20.029
flat angles C4'-P-C4' energy: -24.540
flat angles P-C4'-P energy: -9.856
tors. eta vs tors. theta energy: -26.971
Dist. restrs. and SS energy: 0.590 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -416.327689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.327689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.687428 (E_RNA)
where:
Base-Base interactions energy: -290.523
where: short stacking energy: -114.049
Base-Backbone interact. energy: 1.564
local terms energy: -127.727820
where:
bonds (distance) C4'-P energy: -19.425
bonds (distance) P-C4' energy: -29.461
flat angles C4'-P-C4' energy: -33.745
flat angles P-C4'-P energy: -14.946
tors. eta vs tors. theta energy: -30.151
Dist. restrs. and SS energy: 0.360 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -380.088160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.088160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.198335 (E_RNA)
where:
Base-Base interactions energy: -246.718
where: short stacking energy: -100.771
Base-Backbone interact. energy: -0.147
local terms energy: -133.333565
where:
bonds (distance) C4'-P energy: -26.939
bonds (distance) P-C4' energy: -30.077
flat angles C4'-P-C4' energy: -29.093
flat angles P-C4'-P energy: -20.459
tors. eta vs tors. theta energy: -26.765
Dist. restrs. and SS energy: 0.110 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -403.266809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.266809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.393907 (E_RNA)
where:
Base-Base interactions energy: -268.889
where: short stacking energy: -111.997
Base-Backbone interact. energy: -0.349
local terms energy: -134.155891
where:
bonds (distance) C4'-P energy: -25.289
bonds (distance) P-C4' energy: -25.075
flat angles C4'-P-C4' energy: -29.775
flat angles P-C4'-P energy: -23.602
tors. eta vs tors. theta energy: -30.415
Dist. restrs. and SS energy: 0.127 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -393.128526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.128526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.964800 (E_RNA)
where:
Base-Base interactions energy: -266.537
where: short stacking energy: -102.586
Base-Backbone interact. energy: -0.326
local terms energy: -127.101644
where:
bonds (distance) C4'-P energy: -29.259
bonds (distance) P-C4' energy: -22.580
flat angles C4'-P-C4' energy: -25.540
flat angles P-C4'-P energy: -16.989
tors. eta vs tors. theta energy: -32.735
Dist. restrs. and SS energy: 0.836 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -378.163333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.163333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.498908 (E_RNA)
where:
Base-Base interactions energy: -250.616
where: short stacking energy: -102.464
Base-Backbone interact. energy: -1.985
local terms energy: -125.897633
where:
bonds (distance) C4'-P energy: -25.336
bonds (distance) P-C4' energy: -26.373
flat angles C4'-P-C4' energy: -28.295
flat angles P-C4'-P energy: -13.017
tors. eta vs tors. theta energy: -32.877
Dist. restrs. and SS energy: 0.336 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -367.896700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.896700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.263968 (E_RNA)
where:
Base-Base interactions energy: -249.838
where: short stacking energy: -101.104
Base-Backbone interact. energy: -0.266
local terms energy: -118.160244
where:
bonds (distance) C4'-P energy: -28.833
bonds (distance) P-C4' energy: -27.778
flat angles C4'-P-C4' energy: -24.792
flat angles P-C4'-P energy: -15.602
tors. eta vs tors. theta energy: -21.156
Dist. restrs. and SS energy: 0.367 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -356.851979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.851979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.264771 (E_RNA)
where:
Base-Base interactions energy: -246.684
where: short stacking energy: -94.466
Base-Backbone interact. energy: -1.375
local terms energy: -109.206269
where:
bonds (distance) C4'-P energy: -19.927
bonds (distance) P-C4' energy: -28.044
flat angles C4'-P-C4' energy: -23.809
flat angles P-C4'-P energy: -18.597
tors. eta vs tors. theta energy: -18.830
Dist. restrs. and SS energy: 0.413 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -345.842239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.842239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.005673 (E_RNA)
where:
Base-Base interactions energy: -227.905
where: short stacking energy: -84.910
Base-Backbone interact. energy: -0.659
local terms energy: -117.441301
where:
bonds (distance) C4'-P energy: -23.029
bonds (distance) P-C4' energy: -23.907
flat angles C4'-P-C4' energy: -28.281
flat angles P-C4'-P energy: -19.685
tors. eta vs tors. theta energy: -22.539
Dist. restrs. and SS energy: 0.163 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -343.833617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.833617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.118132 (E_RNA)
where:
Base-Base interactions energy: -232.657
where: short stacking energy: -93.289
Base-Backbone interact. energy: -0.320
local terms energy: -111.141504
where:
bonds (distance) C4'-P energy: -22.947
bonds (distance) P-C4' energy: -22.705
flat angles C4'-P-C4' energy: -28.474
flat angles P-C4'-P energy: -14.313
tors. eta vs tors. theta energy: -22.703
Dist. restrs. and SS energy: 0.285 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -322.340723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.340723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.467698 (E_RNA)
where:
Base-Base interactions energy: -208.519
where: short stacking energy: -77.770
Base-Backbone interact. energy: -0.228
local terms energy: -113.720823
where:
bonds (distance) C4'-P energy: -27.860
bonds (distance) P-C4' energy: -22.852
flat angles C4'-P-C4' energy: -25.719
flat angles P-C4'-P energy: -14.820
tors. eta vs tors. theta energy: -22.470
Dist. restrs. and SS energy: 0.127 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -398.266866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.266866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.905937 (E_RNA)
where:
Base-Base interactions energy: -275.789
where: short stacking energy: -118.945
Base-Backbone interact. energy: -0.092
local terms energy: -123.024980
where:
bonds (distance) C4'-P energy: -26.556
bonds (distance) P-C4' energy: -23.245
flat angles C4'-P-C4' energy: -27.238
flat angles P-C4'-P energy: -14.258
tors. eta vs tors. theta energy: -31.728
Dist. restrs. and SS energy: 0.639 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -406.279770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.279770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.048670 (E_RNA)
where:
Base-Base interactions energy: -282.947
where: short stacking energy: -109.753
Base-Backbone interact. energy: -1.798
local terms energy: -122.303557
where:
bonds (distance) C4'-P energy: -23.802
bonds (distance) P-C4' energy: -21.368
flat angles C4'-P-C4' energy: -32.246
flat angles P-C4'-P energy: -16.250
tors. eta vs tors. theta energy: -28.638
Dist. restrs. and SS energy: 0.769 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -400.092903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.092903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.459943 (E_RNA)
where:
Base-Base interactions energy: -275.501
where: short stacking energy: -114.408
Base-Backbone interact. energy: -0.358
local terms energy: -124.601260
where:
bonds (distance) C4'-P energy: -22.813
bonds (distance) P-C4' energy: -24.056
flat angles C4'-P-C4' energy: -27.258
flat angles P-C4'-P energy: -17.303
tors. eta vs tors. theta energy: -33.171
Dist. restrs. and SS energy: 0.367 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -393.787642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.787642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.881696 (E_RNA)
where:
Base-Base interactions energy: -276.470
where: short stacking energy: -118.403
Base-Backbone interact. energy: 0.717
local terms energy: -118.128663
where:
bonds (distance) C4'-P energy: -22.702
bonds (distance) P-C4' energy: -25.655
flat angles C4'-P-C4' energy: -22.578
flat angles P-C4'-P energy: -12.895
tors. eta vs tors. theta energy: -34.299
Dist. restrs. and SS energy: 0.094 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -360.243012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.243012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.602500 (E_RNA)
where:
Base-Base interactions energy: -241.832
where: short stacking energy: -106.262
Base-Backbone interact. energy: -0.400
local terms energy: -118.371382
where:
bonds (distance) C4'-P energy: -25.388
bonds (distance) P-C4' energy: -24.897
flat angles C4'-P-C4' energy: -18.452
flat angles P-C4'-P energy: -19.756
tors. eta vs tors. theta energy: -29.878
Dist. restrs. and SS energy: 0.359 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -361.011965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.011965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.570543 (E_RNA)
where:
Base-Base interactions energy: -243.367
where: short stacking energy: -84.632
Base-Backbone interact. energy: -0.206
local terms energy: -117.997977
where:
bonds (distance) C4'-P energy: -22.926
bonds (distance) P-C4' energy: -29.423
flat angles C4'-P-C4' energy: -22.936
flat angles P-C4'-P energy: -18.428
tors. eta vs tors. theta energy: -24.285
Dist. restrs. and SS energy: 0.559 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -363.590416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.590416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.029557 (E_RNA)
where:
Base-Base interactions energy: -242.044
where: short stacking energy: -97.059
Base-Backbone interact. energy: -0.598
local terms energy: -121.386880
where:
bonds (distance) C4'-P energy: -24.216
bonds (distance) P-C4' energy: -25.509
flat angles C4'-P-C4' energy: -30.789
flat angles P-C4'-P energy: -15.548
tors. eta vs tors. theta energy: -25.324
Dist. restrs. and SS energy: 0.439 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -339.949780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.949780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.627718 (E_RNA)
where:
Base-Base interactions energy: -237.028
where: short stacking energy: -84.160
Base-Backbone interact. energy: 0.711
local terms energy: -104.309786
where:
bonds (distance) C4'-P energy: -20.599
bonds (distance) P-C4' energy: -21.937
flat angles C4'-P-C4' energy: -26.778
flat angles P-C4'-P energy: -10.047
tors. eta vs tors. theta energy: -24.948
Dist. restrs. and SS energy: 0.678 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -340.642961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.642961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.703937 (E_RNA)
where:
Base-Base interactions energy: -230.401
where: short stacking energy: -88.289
Base-Backbone interact. energy: -0.214
local terms energy: -110.088906
where:
bonds (distance) C4'-P energy: -25.072
bonds (distance) P-C4' energy: -16.670
flat angles C4'-P-C4' energy: -24.916
flat angles P-C4'-P energy: -16.066
tors. eta vs tors. theta energy: -27.365
Dist. restrs. and SS energy: 0.061 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -327.636995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.636995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.707233 (E_RNA)
where:
Base-Base interactions energy: -233.397
where: short stacking energy: -93.819
Base-Backbone interact. energy: 0.290
local terms energy: -94.600000
where:
bonds (distance) C4'-P energy: -16.916
bonds (distance) P-C4' energy: -16.048
flat angles C4'-P-C4' energy: -21.182
flat angles P-C4'-P energy: -19.598
tors. eta vs tors. theta energy: -20.855
Dist. restrs. and SS energy: 0.070 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -403.314736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.314736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.446242 (E_RNA)
where:
Base-Base interactions energy: -274.353
where: short stacking energy: -120.377
Base-Backbone interact. energy: -0.491
local terms energy: -128.602181
where:
bonds (distance) C4'-P energy: -22.303
bonds (distance) P-C4' energy: -29.142
flat angles C4'-P-C4' energy: -30.571
flat angles P-C4'-P energy: -16.715
tors. eta vs tors. theta energy: -29.871
Dist. restrs. and SS energy: 0.132 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -415.093220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.093220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.364976 (E_RNA)
where:
Base-Base interactions energy: -293.733
where: short stacking energy: -117.513
Base-Backbone interact. energy: -0.201
local terms energy: -121.430440
where:
bonds (distance) C4'-P energy: -22.048
bonds (distance) P-C4' energy: -23.676
flat angles C4'-P-C4' energy: -25.590
flat angles P-C4'-P energy: -18.842
tors. eta vs tors. theta energy: -31.276
Dist. restrs. and SS energy: 0.272 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -388.116920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.116920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.456033 (E_RNA)
where:
Base-Base interactions energy: -261.652
where: short stacking energy: -105.361
Base-Backbone interact. energy: -0.230
local terms energy: -126.574067
where:
bonds (distance) C4'-P energy: -25.061
bonds (distance) P-C4' energy: -27.822
flat angles C4'-P-C4' energy: -22.556
flat angles P-C4'-P energy: -23.729
tors. eta vs tors. theta energy: -27.406
Dist. restrs. and SS energy: 0.339 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -397.059166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.059166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.267963 (E_RNA)
where:
Base-Base interactions energy: -271.960
where: short stacking energy: -106.494
Base-Backbone interact. energy: -0.331
local terms energy: -124.977108
where:
bonds (distance) C4'-P energy: -27.302
bonds (distance) P-C4' energy: -23.072
flat angles C4'-P-C4' energy: -28.069
flat angles P-C4'-P energy: -16.857
tors. eta vs tors. theta energy: -29.677
Dist. restrs. and SS energy: 0.209 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -377.997432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.997432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.997432 (E_RNA)
where:
Base-Base interactions energy: -251.183
where: short stacking energy: -101.132
Base-Backbone interact. energy: 0.367
local terms energy: -127.181526
where:
bonds (distance) C4'-P energy: -28.321
bonds (distance) P-C4' energy: -22.764
flat angles C4'-P-C4' energy: -26.984
flat angles P-C4'-P energy: -17.449
tors. eta vs tors. theta energy: -31.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -374.817434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.817434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.968978 (E_RNA)
where:
Base-Base interactions energy: -263.766
where: short stacking energy: -101.005
Base-Backbone interact. energy: 0.336
local terms energy: -111.539651
where:
bonds (distance) C4'-P energy: -27.206
bonds (distance) P-C4' energy: -21.341
flat angles C4'-P-C4' energy: -26.423
flat angles P-C4'-P energy: -18.411
tors. eta vs tors. theta energy: -18.159
Dist. restrs. and SS energy: 0.152 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -361.916649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.916649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.383782 (E_RNA)
where:
Base-Base interactions energy: -243.951
where: short stacking energy: -92.544
Base-Backbone interact. energy: -0.176
local terms energy: -118.256116
where:
bonds (distance) C4'-P energy: -24.876
bonds (distance) P-C4' energy: -20.258
flat angles C4'-P-C4' energy: -26.568
flat angles P-C4'-P energy: -18.625
tors. eta vs tors. theta energy: -27.930
Dist. restrs. and SS energy: 0.467 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -342.434168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.434168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.359139 (E_RNA)
where:
Base-Base interactions energy: -240.384
where: short stacking energy: -95.376
Base-Backbone interact. energy: 1.368
local terms energy: -104.342710
where:
bonds (distance) C4'-P energy: -18.686
bonds (distance) P-C4' energy: -29.233
flat angles C4'-P-C4' energy: -23.850
flat angles P-C4'-P energy: -8.963
tors. eta vs tors. theta energy: -23.611
Dist. restrs. and SS energy: 0.925 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -345.532752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.532752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.780631 (E_RNA)
where:
Base-Base interactions energy: -228.743
where: short stacking energy: -90.801
Base-Backbone interact. energy: -0.411
local terms energy: -116.626347
where:
bonds (distance) C4'-P energy: -24.896
bonds (distance) P-C4' energy: -26.821
flat angles C4'-P-C4' energy: -26.988
flat angles P-C4'-P energy: -16.563
tors. eta vs tors. theta energy: -21.359
Dist. restrs. and SS energy: 0.248 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -318.835002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.835002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.182836 (E_RNA)
where:
Base-Base interactions energy: -210.920
where: short stacking energy: -84.629
Base-Backbone interact. energy: -1.005
local terms energy: -107.257300
where:
bonds (distance) C4'-P energy: -24.564
bonds (distance) P-C4' energy: -20.948
flat angles C4'-P-C4' energy: -24.930
flat angles P-C4'-P energy: -12.020
tors. eta vs tors. theta energy: -24.796
Dist. restrs. and SS energy: 0.348 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -434.421567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.421567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.498673 (E_RNA)
where:
Base-Base interactions energy: -292.929
where: short stacking energy: -123.508
Base-Backbone interact. energy: -1.453
local terms energy: -140.116921
where:
bonds (distance) C4'-P energy: -29.242
bonds (distance) P-C4' energy: -26.260
flat angles C4'-P-C4' energy: -30.946
flat angles P-C4'-P energy: -20.398
tors. eta vs tors. theta energy: -33.270
Dist. restrs. and SS energy: 0.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -404.702111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.702111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.966141 (E_RNA)
where:
Base-Base interactions energy: -270.578
where: short stacking energy: -117.934
Base-Backbone interact. energy: -0.283
local terms energy: -134.104990
where:
bonds (distance) C4'-P energy: -22.963
bonds (distance) P-C4' energy: -28.331
flat angles C4'-P-C4' energy: -32.211
flat angles P-C4'-P energy: -21.130
tors. eta vs tors. theta energy: -29.469
Dist. restrs. and SS energy: 0.264 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -396.827511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.827511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.074258 (E_RNA)
where:
Base-Base interactions energy: -270.750
where: short stacking energy: -98.039
Base-Backbone interact. energy: -0.442
local terms energy: -125.882842
where:
bonds (distance) C4'-P energy: -28.237
bonds (distance) P-C4' energy: -29.990
flat angles C4'-P-C4' energy: -26.972
flat angles P-C4'-P energy: -15.865
tors. eta vs tors. theta energy: -24.819
Dist. restrs. and SS energy: 0.247 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -386.343999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.343999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.513919 (E_RNA)
where:
Base-Base interactions energy: -260.155
where: short stacking energy: -111.022
Base-Backbone interact. energy: -0.363
local terms energy: -125.995614
where:
bonds (distance) C4'-P energy: -26.192
bonds (distance) P-C4' energy: -27.769
flat angles C4'-P-C4' energy: -24.510
flat angles P-C4'-P energy: -16.472
tors. eta vs tors. theta energy: -31.051
Dist. restrs. and SS energy: 0.170 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -389.096075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.096075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.373178 (E_RNA)
where:
Base-Base interactions energy: -270.948
where: short stacking energy: -110.934
Base-Backbone interact. energy: -1.509
local terms energy: -116.915880
where:
bonds (distance) C4'-P energy: -21.842
bonds (distance) P-C4' energy: -23.500
flat angles C4'-P-C4' energy: -22.879
flat angles P-C4'-P energy: -18.006
tors. eta vs tors. theta energy: -30.690
Dist. restrs. and SS energy: 0.277 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -368.634171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.634171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.394877 (E_RNA)
where:
Base-Base interactions energy: -243.264
where: short stacking energy: -103.786
Base-Backbone interact. energy: -1.093
local terms energy: -125.038484
where:
bonds (distance) C4'-P energy: -27.877
bonds (distance) P-C4' energy: -25.030
flat angles C4'-P-C4' energy: -23.222
flat angles P-C4'-P energy: -18.219
tors. eta vs tors. theta energy: -30.690
Dist. restrs. and SS energy: 0.761 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -339.927251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.927251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.310046 (E_RNA)
where:
Base-Base interactions energy: -230.630
where: short stacking energy: -103.568
Base-Backbone interact. energy: -0.406
local terms energy: -111.273745
where:
bonds (distance) C4'-P energy: -25.465
bonds (distance) P-C4' energy: -13.240
flat angles C4'-P-C4' energy: -20.925
flat angles P-C4'-P energy: -19.946
tors. eta vs tors. theta energy: -31.698
Dist. restrs. and SS energy: 2.383 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -350.419046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.419046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.719503 (E_RNA)
where:
Base-Base interactions energy: -221.559
where: short stacking energy: -88.003
Base-Backbone interact. energy: -0.357
local terms energy: -128.802838
where:
bonds (distance) C4'-P energy: -24.331
bonds (distance) P-C4' energy: -28.982
flat angles C4'-P-C4' energy: -28.345
flat angles P-C4'-P energy: -17.835
tors. eta vs tors. theta energy: -29.309
Dist. restrs. and SS energy: 0.300 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -330.112054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.112054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.204977 (E_RNA)
where:
Base-Base interactions energy: -222.466
where: short stacking energy: -78.523
Base-Backbone interact. energy: -0.899
local terms energy: -106.840227
where:
bonds (distance) C4'-P energy: -18.896
bonds (distance) P-C4' energy: -27.328
flat angles C4'-P-C4' energy: -22.829
flat angles P-C4'-P energy: -15.557
tors. eta vs tors. theta energy: -22.232
Dist. restrs. and SS energy: 0.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -313.419320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.419320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.994643 (E_RNA)
where:
Base-Base interactions energy: -218.180
where: short stacking energy: -79.773
Base-Backbone interact. energy: 0.115
local terms energy: -95.929427
where:
bonds (distance) C4'-P energy: -20.905
bonds (distance) P-C4' energy: -17.797
flat angles C4'-P-C4' energy: -24.216
flat angles P-C4'-P energy: -16.176
tors. eta vs tors. theta energy: -16.836
Dist. restrs. and SS energy: 0.575 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -423.740150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.740150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.151295 (E_RNA)
where:
Base-Base interactions energy: -283.379
where: short stacking energy: -104.306
Base-Backbone interact. energy: -0.445
local terms energy: -140.326624
where:
bonds (distance) C4'-P energy: -29.315
bonds (distance) P-C4' energy: -32.385
flat angles C4'-P-C4' energy: -32.865
flat angles P-C4'-P energy: -12.935
tors. eta vs tors. theta energy: -32.827
Dist. restrs. and SS energy: 0.411 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -409.552159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.552159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.250404 (E_RNA)
where:
Base-Base interactions energy: -295.754
where: short stacking energy: -124.100
Base-Backbone interact. energy: -0.212
local terms energy: -114.284576
where:
bonds (distance) C4'-P energy: -23.856
bonds (distance) P-C4' energy: -21.835
flat angles C4'-P-C4' energy: -23.434
flat angles P-C4'-P energy: -10.475
tors. eta vs tors. theta energy: -34.684
Dist. restrs. and SS energy: 0.698 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -396.150585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.150585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.230937 (E_RNA)
where:
Base-Base interactions energy: -271.067
where: short stacking energy: -118.366
Base-Backbone interact. energy: -0.344
local terms energy: -124.820214
where:
bonds (distance) C4'-P energy: -22.644
bonds (distance) P-C4' energy: -31.371
flat angles C4'-P-C4' energy: -28.062
flat angles P-C4'-P energy: -13.543
tors. eta vs tors. theta energy: -29.201
Dist. restrs. and SS energy: 0.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -389.684702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.684702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.736964 (E_RNA)
where:
Base-Base interactions energy: -268.629
where: short stacking energy: -107.372
Base-Backbone interact. energy: -0.612
local terms energy: -120.495415
where:
bonds (distance) C4'-P energy: -25.657
bonds (distance) P-C4' energy: -27.964
flat angles C4'-P-C4' energy: -27.186
flat angles P-C4'-P energy: -14.395
tors. eta vs tors. theta energy: -25.294
Dist. restrs. and SS energy: 0.052 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -381.419140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.419140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.434811 (E_RNA)
where:
Base-Base interactions energy: -259.496
where: short stacking energy: -105.372
Base-Backbone interact. energy: -2.104
local terms energy: -120.834618
where:
bonds (distance) C4'-P energy: -21.347
bonds (distance) P-C4' energy: -22.438
flat angles C4'-P-C4' energy: -31.214
flat angles P-C4'-P energy: -13.257
tors. eta vs tors. theta energy: -32.579
Dist. restrs. and SS energy: 1.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -369.175853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.175853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.972015 (E_RNA)
where:
Base-Base interactions energy: -246.075
where: short stacking energy: -97.454
Base-Backbone interact. energy: -0.956
local terms energy: -122.941140
where:
bonds (distance) C4'-P energy: -24.829
bonds (distance) P-C4' energy: -26.180
flat angles C4'-P-C4' energy: -24.728
flat angles P-C4'-P energy: -16.148
tors. eta vs tors. theta energy: -31.055
Dist. restrs. and SS energy: 0.796 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -332.129344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.129344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.410590 (E_RNA)
where:
Base-Base interactions energy: -218.365
where: short stacking energy: -90.459
Base-Backbone interact. energy: -0.318
local terms energy: -113.727464
where:
bonds (distance) C4'-P energy: -21.231
bonds (distance) P-C4' energy: -30.438
flat angles C4'-P-C4' energy: -22.315
flat angles P-C4'-P energy: -13.808
tors. eta vs tors. theta energy: -25.936
Dist. restrs. and SS energy: 0.281 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -348.077420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.077420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.344125 (E_RNA)
where:
Base-Base interactions energy: -236.681
where: short stacking energy: -89.501
Base-Backbone interact. energy: -0.495
local terms energy: -111.168175
where:
bonds (distance) C4'-P energy: -23.327
bonds (distance) P-C4' energy: -19.950
flat angles C4'-P-C4' energy: -23.187
flat angles P-C4'-P energy: -18.349
tors. eta vs tors. theta energy: -26.355
Dist. restrs. and SS energy: 0.267 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -325.533477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.533477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.653282 (E_RNA)
where:
Base-Base interactions energy: -228.594
where: short stacking energy: -87.019
Base-Backbone interact. energy: -0.377
local terms energy: -96.681711
where:
bonds (distance) C4'-P energy: -20.786
bonds (distance) P-C4' energy: -24.412
flat angles C4'-P-C4' energy: -21.029
flat angles P-C4'-P energy: -7.550
tors. eta vs tors. theta energy: -22.904
Dist. restrs. and SS energy: 0.120 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -315.397854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.397854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.302186 (E_RNA)
where:
Base-Base interactions energy: -216.694
where: short stacking energy: -85.421
Base-Backbone interact. energy: -0.377
local terms energy: -99.231196
where:
bonds (distance) C4'-P energy: -17.907
bonds (distance) P-C4' energy: -29.598
flat angles C4'-P-C4' energy: -18.681
flat angles P-C4'-P energy: -16.485
tors. eta vs tors. theta energy: -16.561
Dist. restrs. and SS energy: 0.904 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -422.337698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.337698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.755748 (E_RNA)
where:
Base-Base interactions energy: -292.872
where: short stacking energy: -117.405
Base-Backbone interact. energy: -0.896
local terms energy: -128.987986
where:
bonds (distance) C4'-P energy: -24.221
bonds (distance) P-C4' energy: -22.703
flat angles C4'-P-C4' energy: -25.534
flat angles P-C4'-P energy: -20.349
tors. eta vs tors. theta energy: -36.181
Dist. restrs. and SS energy: 0.418 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -412.041888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.041888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.482413 (E_RNA)
where:
Base-Base interactions energy: -271.235
where: short stacking energy: -111.512
Base-Backbone interact. energy: 0.267
local terms energy: -141.514044
where:
bonds (distance) C4'-P energy: -26.896
bonds (distance) P-C4' energy: -30.578
flat angles C4'-P-C4' energy: -27.439
flat angles P-C4'-P energy: -19.507
tors. eta vs tors. theta energy: -37.095
Dist. restrs. and SS energy: 0.441 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -397.605771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.605771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.699986 (E_RNA)
where:
Base-Base interactions energy: -270.059
where: short stacking energy: -112.355
Base-Backbone interact. energy: -0.788
local terms energy: -126.852524
where:
bonds (distance) C4'-P energy: -21.556
bonds (distance) P-C4' energy: -27.780
flat angles C4'-P-C4' energy: -28.042
flat angles P-C4'-P energy: -17.497
tors. eta vs tors. theta energy: -31.979
Dist. restrs. and SS energy: 0.094 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -376.888922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.888922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.992496 (E_RNA)
where:
Base-Base interactions energy: -257.361
where: short stacking energy: -113.970
Base-Backbone interact. energy: -0.456
local terms energy: -119.174847
where:
bonds (distance) C4'-P energy: -24.365
bonds (distance) P-C4' energy: -30.950
flat angles C4'-P-C4' energy: -22.689
flat angles P-C4'-P energy: -13.136
tors. eta vs tors. theta energy: -28.035
Dist. restrs. and SS energy: 0.104 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -376.032333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.032333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.339653 (E_RNA)
where:
Base-Base interactions energy: -256.536
where: short stacking energy: -112.333
Base-Backbone interact. energy: -0.919
local terms energy: -118.884822
where:
bonds (distance) C4'-P energy: -19.466
bonds (distance) P-C4' energy: -26.589
flat angles C4'-P-C4' energy: -30.545
flat angles P-C4'-P energy: -15.752
tors. eta vs tors. theta energy: -26.533
Dist. restrs. and SS energy: 0.307 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -376.361757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.361757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.683664 (E_RNA)
where:
Base-Base interactions energy: -248.250
where: short stacking energy: -105.684
Base-Backbone interact. energy: -0.461
local terms energy: -127.972857
where:
bonds (distance) C4'-P energy: -23.608
bonds (distance) P-C4' energy: -27.856
flat angles C4'-P-C4' energy: -28.594
flat angles P-C4'-P energy: -17.331
tors. eta vs tors. theta energy: -30.585
Dist. restrs. and SS energy: 0.322 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -345.332568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.332568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.679863 (E_RNA)
where:
Base-Base interactions energy: -238.623
where: short stacking energy: -91.532
Base-Backbone interact. energy: 3.402
local terms energy: -110.459277
where:
bonds (distance) C4'-P energy: -19.589
bonds (distance) P-C4' energy: -24.182
flat angles C4'-P-C4' energy: -26.066
flat angles P-C4'-P energy: -14.839
tors. eta vs tors. theta energy: -25.783
Dist. restrs. and SS energy: 0.347 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -351.230342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.230342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.359521 (E_RNA)
where:
Base-Base interactions energy: -241.500
where: short stacking energy: -86.821
Base-Backbone interact. energy: -0.691
local terms energy: -109.167930
where:
bonds (distance) C4'-P energy: -20.276
bonds (distance) P-C4' energy: -26.565
flat angles C4'-P-C4' energy: -27.140
flat angles P-C4'-P energy: -14.302
tors. eta vs tors. theta energy: -20.884
Dist. restrs. and SS energy: 0.129 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -311.738184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.738184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.187653 (E_RNA)
where:
Base-Base interactions energy: -205.275
where: short stacking energy: -83.703
Base-Backbone interact. energy: -0.318
local terms energy: -106.594804
where:
bonds (distance) C4'-P energy: -18.101
bonds (distance) P-C4' energy: -24.567
flat angles C4'-P-C4' energy: -23.351
flat angles P-C4'-P energy: -17.287
tors. eta vs tors. theta energy: -23.288
Dist. restrs. and SS energy: 0.449 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -319.674286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.674286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.277082 (E_RNA)
where:
Base-Base interactions energy: -207.877
where: short stacking energy: -78.097
Base-Backbone interact. energy: -0.192
local terms energy: -112.207841
where:
bonds (distance) C4'-P energy: -14.422
bonds (distance) P-C4' energy: -27.300
flat angles C4'-P-C4' energy: -23.264
flat angles P-C4'-P energy: -20.741
tors. eta vs tors. theta energy: -26.482
Dist. restrs. and SS energy: 0.603 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -424.227720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.227720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.362669 (E_RNA)
where:
Base-Base interactions energy: -285.178
where: short stacking energy: -112.538
Base-Backbone interact. energy: -1.785
local terms energy: -137.399295
where:
bonds (distance) C4'-P energy: -29.500
bonds (distance) P-C4' energy: -27.386
flat angles C4'-P-C4' energy: -31.180
flat angles P-C4'-P energy: -17.900
tors. eta vs tors. theta energy: -31.433
Dist. restrs. and SS energy: 0.135 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -411.961743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.961743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.255745 (E_RNA)
where:
Base-Base interactions energy: -279.838
where: short stacking energy: -121.427
Base-Backbone interact. energy: -0.613
local terms energy: -131.804806
where:
bonds (distance) C4'-P energy: -27.539
bonds (distance) P-C4' energy: -27.456
flat angles C4'-P-C4' energy: -28.028
flat angles P-C4'-P energy: -17.252
tors. eta vs tors. theta energy: -31.530
Dist. restrs. and SS energy: 0.294 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -406.686243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.686243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.957986 (E_RNA)
where:
Base-Base interactions energy: -264.331
where: short stacking energy: -101.252
Base-Backbone interact. energy: -0.421
local terms energy: -142.205701
where:
bonds (distance) C4'-P energy: -30.985
bonds (distance) P-C4' energy: -30.798
flat angles C4'-P-C4' energy: -28.800
flat angles P-C4'-P energy: -22.220
tors. eta vs tors. theta energy: -29.402
Dist. restrs. and SS energy: 0.272 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -386.456039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.456039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.529439 (E_RNA)
where:
Base-Base interactions energy: -260.169
where: short stacking energy: -106.324
Base-Backbone interact. energy: -0.548
local terms energy: -125.812668
where:
bonds (distance) C4'-P energy: -25.237
bonds (distance) P-C4' energy: -30.615
flat angles C4'-P-C4' energy: -28.890
flat angles P-C4'-P energy: -14.940
tors. eta vs tors. theta energy: -26.131
Dist. restrs. and SS energy: 0.073 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -351.269350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.269350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.567395 (E_RNA)
where:
Base-Base interactions energy: -239.429
where: short stacking energy: -89.102
Base-Backbone interact. energy: 0.305
local terms energy: -112.443702
where:
bonds (distance) C4'-P energy: -26.114
bonds (distance) P-C4' energy: -23.320
flat angles C4'-P-C4' energy: -25.625
flat angles P-C4'-P energy: -13.666
tors. eta vs tors. theta energy: -23.720
Dist. restrs. and SS energy: 0.298 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -354.993748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.993748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.351617 (E_RNA)
where:
Base-Base interactions energy: -249.413
where: short stacking energy: -106.461
Base-Backbone interact. energy: -0.146
local terms energy: -105.792589
where:
bonds (distance) C4'-P energy: -21.156
bonds (distance) P-C4' energy: -20.201
flat angles C4'-P-C4' energy: -21.204
flat angles P-C4'-P energy: -15.810
tors. eta vs tors. theta energy: -27.421
Dist. restrs. and SS energy: 0.358 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -363.789247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.789247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.284410 (E_RNA)
where:
Base-Base interactions energy: -260.126
where: short stacking energy: -99.018
Base-Backbone interact. energy: 7.206
local terms energy: -111.364433
where:
bonds (distance) C4'-P energy: -21.026
bonds (distance) P-C4' energy: -19.616
flat angles C4'-P-C4' energy: -27.817
flat angles P-C4'-P energy: -14.708
tors. eta vs tors. theta energy: -28.198
Dist. restrs. and SS energy: 0.495 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -356.557617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.557617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.112027 (E_RNA)
where:
Base-Base interactions energy: -245.483
where: short stacking energy: -102.270
Base-Backbone interact. energy: -0.746
local terms energy: -110.883131
where:
bonds (distance) C4'-P energy: -19.596
bonds (distance) P-C4' energy: -20.756
flat angles C4'-P-C4' energy: -29.207
flat angles P-C4'-P energy: -12.836
tors. eta vs tors. theta energy: -28.487
Dist. restrs. and SS energy: 0.554 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -301.943057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.943057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.122509 (E_RNA)
where:
Base-Base interactions energy: -202.478
where: short stacking energy: -79.077
Base-Backbone interact. energy: 0.674
local terms energy: -100.319351
where:
bonds (distance) C4'-P energy: -25.861
bonds (distance) P-C4' energy: -27.463
flat angles C4'-P-C4' energy: -23.336
flat angles P-C4'-P energy: -8.386
tors. eta vs tors. theta energy: -15.273
Dist. restrs. and SS energy: 0.179 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -333.691497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.691497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.996808 (E_RNA)
where:
Base-Base interactions energy: -226.504
where: short stacking energy: -85.211
Base-Backbone interact. energy: -0.580
local terms energy: -106.912907
where:
bonds (distance) C4'-P energy: -22.045
bonds (distance) P-C4' energy: -22.080
flat angles C4'-P-C4' energy: -27.853
flat angles P-C4'-P energy: -12.316
tors. eta vs tors. theta energy: -22.618
Dist. restrs. and SS energy: 0.305 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -409.472199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.472199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.679491 (E_RNA)
where:
Base-Base interactions energy: -277.760
where: short stacking energy: -107.578
Base-Backbone interact. energy: -0.869
local terms energy: -131.050477
where:
bonds (distance) C4'-P energy: -25.423
bonds (distance) P-C4' energy: -26.245
flat angles C4'-P-C4' energy: -32.601
flat angles P-C4'-P energy: -17.410
tors. eta vs tors. theta energy: -29.372
Dist. restrs. and SS energy: 0.207 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -416.202732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.202732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.483986 (E_RNA)
where:
Base-Base interactions energy: -281.606
where: short stacking energy: -114.522
Base-Backbone interact. energy: -0.057
local terms energy: -134.821695
where:
bonds (distance) C4'-P energy: -27.252
bonds (distance) P-C4' energy: -23.212
flat angles C4'-P-C4' energy: -26.699
flat angles P-C4'-P energy: -21.792
tors. eta vs tors. theta energy: -35.866
Dist. restrs. and SS energy: 0.281 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -411.716846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.716846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.788603 (E_RNA)
where:
Base-Base interactions energy: -275.371
where: short stacking energy: -112.357
Base-Backbone interact. energy: -0.365
local terms energy: -136.052690
where:
bonds (distance) C4'-P energy: -30.080
bonds (distance) P-C4' energy: -28.466
flat angles C4'-P-C4' energy: -28.839
flat angles P-C4'-P energy: -20.586
tors. eta vs tors. theta energy: -28.082
Dist. restrs. and SS energy: 0.072 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -396.047226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.047226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.486044 (E_RNA)
where:
Base-Base interactions energy: -276.915
where: short stacking energy: -108.428
Base-Backbone interact. energy: -0.760
local terms energy: -118.811024
where:
bonds (distance) C4'-P energy: -24.010
bonds (distance) P-C4' energy: -20.387
flat angles C4'-P-C4' energy: -26.592
flat angles P-C4'-P energy: -16.279
tors. eta vs tors. theta energy: -31.543
Dist. restrs. and SS energy: 0.439 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -349.970206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.970206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.239603 (E_RNA)
where:
Base-Base interactions energy: -226.191
where: short stacking energy: -88.203
Base-Backbone interact. energy: 1.089
local terms energy: -125.138159
where:
bonds (distance) C4'-P energy: -23.475
bonds (distance) P-C4' energy: -25.053
flat angles C4'-P-C4' energy: -31.771
flat angles P-C4'-P energy: -18.571
tors. eta vs tors. theta energy: -26.268
Dist. restrs. and SS energy: 0.269 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -352.232872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.232872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.566605 (E_RNA)
where:
Base-Base interactions energy: -227.265
where: short stacking energy: -88.868
Base-Backbone interact. energy: -0.198
local terms energy: -125.103334
where:
bonds (distance) C4'-P energy: -27.230
bonds (distance) P-C4' energy: -26.301
flat angles C4'-P-C4' energy: -28.045
flat angles P-C4'-P energy: -17.842
tors. eta vs tors. theta energy: -25.685
Dist. restrs. and SS energy: 0.334 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -331.233007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.233007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.541207 (E_RNA)
where:
Base-Base interactions energy: -223.982
where: short stacking energy: -78.033
Base-Backbone interact. energy: -0.944
local terms energy: -106.615732
where:
bonds (distance) C4'-P energy: -21.784
bonds (distance) P-C4' energy: -18.092
flat angles C4'-P-C4' energy: -24.629
flat angles P-C4'-P energy: -18.727
tors. eta vs tors. theta energy: -23.384
Dist. restrs. and SS energy: 0.308 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -341.719765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.719765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.229211 (E_RNA)
where:
Base-Base interactions energy: -232.466
where: short stacking energy: -91.366
Base-Backbone interact. energy: 1.179
local terms energy: -110.942175
where:
bonds (distance) C4'-P energy: -25.928
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -24.527
flat angles P-C4'-P energy: -21.223
tors. eta vs tors. theta energy: -22.219
Dist. restrs. and SS energy: 0.509 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -331.578155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.578155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.679187 (E_RNA)
where:
Base-Base interactions energy: -217.482
where: short stacking energy: -83.472
Base-Backbone interact. energy: -0.567
local terms energy: -113.630173
where:
bonds (distance) C4'-P energy: -24.135
bonds (distance) P-C4' energy: -20.228
flat angles C4'-P-C4' energy: -30.170
flat angles P-C4'-P energy: -12.193
tors. eta vs tors. theta energy: -26.903
Dist. restrs. and SS energy: 0.101 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -310.121449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.121449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.139675 (E_RNA)
where:
Base-Base interactions energy: -220.707
where: short stacking energy: -80.076
Base-Backbone interact. energy: 0.939
local terms energy: -90.371011
where:
bonds (distance) C4'-P energy: -19.657
bonds (distance) P-C4' energy: -19.692
flat angles C4'-P-C4' energy: -22.231
flat angles P-C4'-P energy: -8.835
tors. eta vs tors. theta energy: -19.956
Dist. restrs. and SS energy: 0.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -421.175224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.175224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.283061 (E_RNA)
where:
Base-Base interactions energy: -281.209
where: short stacking energy: -122.339
Base-Backbone interact. energy: -0.519
local terms energy: -139.555600
where:
bonds (distance) C4'-P energy: -25.973
bonds (distance) P-C4' energy: -28.400
flat angles C4'-P-C4' energy: -29.623
flat angles P-C4'-P energy: -18.273
tors. eta vs tors. theta energy: -37.288
Dist. restrs. and SS energy: 0.108 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -413.712289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.712289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.882957 (E_RNA)
where:
Base-Base interactions energy: -275.019
where: short stacking energy: -119.699
Base-Backbone interact. energy: -0.671
local terms energy: -138.192906
where:
bonds (distance) C4'-P energy: -25.487
bonds (distance) P-C4' energy: -33.984
flat angles C4'-P-C4' energy: -29.675
flat angles P-C4'-P energy: -14.409
tors. eta vs tors. theta energy: -34.638
Dist. restrs. and SS energy: 0.171 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -416.633291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.633291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.871280 (E_RNA)
where:
Base-Base interactions energy: -279.663
where: short stacking energy: -122.592
Base-Backbone interact. energy: -0.852
local terms energy: -136.355798
where:
bonds (distance) C4'-P energy: -24.077
bonds (distance) P-C4' energy: -29.315
flat angles C4'-P-C4' energy: -27.369
flat angles P-C4'-P energy: -20.121
tors. eta vs tors. theta energy: -35.474
Dist. restrs. and SS energy: 0.238 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -384.895652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.895652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.183685 (E_RNA)
where:
Base-Base interactions energy: -254.330
where: short stacking energy: -109.144
Base-Backbone interact. energy: -0.553
local terms energy: -130.300292
where:
bonds (distance) C4'-P energy: -24.341
bonds (distance) P-C4' energy: -29.492
flat angles C4'-P-C4' energy: -29.121
flat angles P-C4'-P energy: -16.802
tors. eta vs tors. theta energy: -30.544
Dist. restrs. and SS energy: 0.288 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -361.728696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.728696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.986952 (E_RNA)
where:
Base-Base interactions energy: -237.881
where: short stacking energy: -99.290
Base-Backbone interact. energy: -0.075
local terms energy: -124.030749
where:
bonds (distance) C4'-P energy: -27.147
bonds (distance) P-C4' energy: -29.763
flat angles C4'-P-C4' energy: -29.109
flat angles P-C4'-P energy: -11.339
tors. eta vs tors. theta energy: -26.672
Dist. restrs. and SS energy: 0.258 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -365.709316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.709316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.996319 (E_RNA)
where:
Base-Base interactions energy: -250.209
where: short stacking energy: -98.118
Base-Backbone interact. energy: -0.318
local terms energy: -115.469196
where:
bonds (distance) C4'-P energy: -25.372
bonds (distance) P-C4' energy: -22.768
flat angles C4'-P-C4' energy: -30.883
flat angles P-C4'-P energy: -13.691
tors. eta vs tors. theta energy: -22.755
Dist. restrs. and SS energy: 0.287 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -358.669860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.669860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.815594 (E_RNA)
where:
Base-Base interactions energy: -248.177
where: short stacking energy: -100.500
Base-Backbone interact. energy: 0.884
local terms energy: -111.522642
where:
bonds (distance) C4'-P energy: -19.316
bonds (distance) P-C4' energy: -25.880
flat angles C4'-P-C4' energy: -23.378
flat angles P-C4'-P energy: -14.542
tors. eta vs tors. theta energy: -28.408
Dist. restrs. and SS energy: 0.146 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -354.182143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.182143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.275252 (E_RNA)
where:
Base-Base interactions energy: -244.312
where: short stacking energy: -84.163
Base-Backbone interact. energy: 0.871
local terms energy: -110.833815
where:
bonds (distance) C4'-P energy: -29.120
bonds (distance) P-C4' energy: -19.794
flat angles C4'-P-C4' energy: -27.638
flat angles P-C4'-P energy: -11.373
tors. eta vs tors. theta energy: -22.909
Dist. restrs. and SS energy: 0.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -327.666080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.666080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.801702 (E_RNA)
where:
Base-Base interactions energy: -221.590
where: short stacking energy: -78.086
Base-Backbone interact. energy: -1.458
local terms energy: -104.753287
where:
bonds (distance) C4'-P energy: -22.127
bonds (distance) P-C4' energy: -24.187
flat angles C4'-P-C4' energy: -25.954
flat angles P-C4'-P energy: -10.385
tors. eta vs tors. theta energy: -22.101
Dist. restrs. and SS energy: 0.136 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -328.422206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.422206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.570873 (E_RNA)
where:
Base-Base interactions energy: -221.650
where: short stacking energy: -88.239
Base-Backbone interact. energy: -1.031
local terms energy: -105.889356
where:
bonds (distance) C4'-P energy: -18.732
bonds (distance) P-C4' energy: -21.957
flat angles C4'-P-C4' energy: -23.944
flat angles P-C4'-P energy: -16.938
tors. eta vs tors. theta energy: -24.318
Dist. restrs. and SS energy: 0.149 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -410.707156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.707156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.787611 (E_RNA)
where:
Base-Base interactions energy: -279.633
where: short stacking energy: -116.451
Base-Backbone interact. energy: -1.588
local terms energy: -129.566331
where:
bonds (distance) C4'-P energy: -19.562
bonds (distance) P-C4' energy: -28.753
flat angles C4'-P-C4' energy: -32.288
flat angles P-C4'-P energy: -16.527
tors. eta vs tors. theta energy: -32.436
Dist. restrs. and SS energy: 0.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -403.951819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.951819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.042505 (E_RNA)
where:
Base-Base interactions energy: -275.482
where: short stacking energy: -123.778
Base-Backbone interact. energy: -0.112
local terms energy: -128.448810
where:
bonds (distance) C4'-P energy: -23.848
bonds (distance) P-C4' energy: -28.224
flat angles C4'-P-C4' energy: -25.791
flat angles P-C4'-P energy: -12.663
tors. eta vs tors. theta energy: -37.924
Dist. restrs. and SS energy: 0.091 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -378.938603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.938603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.138312 (E_RNA)
where:
Base-Base interactions energy: -248.928
where: short stacking energy: -101.957
Base-Backbone interact. energy: -0.788
local terms energy: -129.422318
where:
bonds (distance) C4'-P energy: -24.641
bonds (distance) P-C4' energy: -27.433
flat angles C4'-P-C4' energy: -29.499
flat angles P-C4'-P energy: -17.019
tors. eta vs tors. theta energy: -30.830
Dist. restrs. and SS energy: 0.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -399.238264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.238264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.591482 (E_RNA)
where:
Base-Base interactions energy: -278.713
where: short stacking energy: -115.479
Base-Backbone interact. energy: -0.779
local terms energy: -120.099704
where:
bonds (distance) C4'-P energy: -26.689
bonds (distance) P-C4' energy: -17.412
flat angles C4'-P-C4' energy: -31.699
flat angles P-C4'-P energy: -6.278
tors. eta vs tors. theta energy: -38.022
Dist. restrs. and SS energy: 0.353 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -353.230921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.230921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.852896 (E_RNA)
where:
Base-Base interactions energy: -228.394
where: short stacking energy: -102.764
Base-Backbone interact. energy: 0.552
local terms energy: -126.011603
where:
bonds (distance) C4'-P energy: -24.711
bonds (distance) P-C4' energy: -30.930
flat angles C4'-P-C4' energy: -28.203
flat angles P-C4'-P energy: -15.869
tors. eta vs tors. theta energy: -26.299
Dist. restrs. and SS energy: 0.622 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -341.493203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.493203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.626908 (E_RNA)
where:
Base-Base interactions energy: -230.523
where: short stacking energy: -97.523
Base-Backbone interact. energy: -0.319
local terms energy: -110.785394
where:
bonds (distance) C4'-P energy: -18.572
bonds (distance) P-C4' energy: -27.533
flat angles C4'-P-C4' energy: -24.440
flat angles P-C4'-P energy: -20.111
tors. eta vs tors. theta energy: -20.128
Dist. restrs. and SS energy: 0.134 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -350.500972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.500972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.848745 (E_RNA)
where:
Base-Base interactions energy: -234.122
where: short stacking energy: -88.246
Base-Backbone interact. energy: 0.365
local terms energy: -117.091336
where:
bonds (distance) C4'-P energy: -21.254
bonds (distance) P-C4' energy: -27.052
flat angles C4'-P-C4' energy: -27.691
flat angles P-C4'-P energy: -15.679
tors. eta vs tors. theta energy: -25.415
Dist. restrs. and SS energy: 0.348 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -331.366727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.366727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.455256 (E_RNA)
where:
Base-Base interactions energy: -227.070
where: short stacking energy: -91.207
Base-Backbone interact. energy: 1.685
local terms energy: -106.069974
where:
bonds (distance) C4'-P energy: -19.965
bonds (distance) P-C4' energy: -24.029
flat angles C4'-P-C4' energy: -19.990
flat angles P-C4'-P energy: -19.644
tors. eta vs tors. theta energy: -22.441
Dist. restrs. and SS energy: 0.089 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -338.616979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.616979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.933835 (E_RNA)
where:
Base-Base interactions energy: -230.298
where: short stacking energy: -93.504
Base-Backbone interact. energy: -0.819
local terms energy: -107.817396
where:
bonds (distance) C4'-P energy: -20.292
bonds (distance) P-C4' energy: -26.276
flat angles C4'-P-C4' energy: -24.065
flat angles P-C4'-P energy: -13.866
tors. eta vs tors. theta energy: -23.318
Dist. restrs. and SS energy: 0.317 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -325.599318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.599318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.620889 (E_RNA)
where:
Base-Base interactions energy: -225.211
where: short stacking energy: -78.778
Base-Backbone interact. energy: -0.284
local terms energy: -100.125888
where:
bonds (distance) C4'-P energy: -23.890
bonds (distance) P-C4' energy: -25.853
flat angles C4'-P-C4' energy: -15.502
flat angles P-C4'-P energy: -12.090
tors. eta vs tors. theta energy: -22.790
Dist. restrs. and SS energy: 0.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -412.070000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.070000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.194346 (E_RNA)
where:
Base-Base interactions energy: -278.530
where: short stacking energy: -114.792
Base-Backbone interact. energy: -0.862
local terms energy: -132.801989
where:
bonds (distance) C4'-P energy: -26.862
bonds (distance) P-C4' energy: -26.990
flat angles C4'-P-C4' energy: -30.064
flat angles P-C4'-P energy: -20.809
tors. eta vs tors. theta energy: -28.077
Dist. restrs. and SS energy: 0.124 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -391.950788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.950788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.368367 (E_RNA)
where:
Base-Base interactions energy: -265.953
where: short stacking energy: -112.723
Base-Backbone interact. energy: -0.080
local terms energy: -126.334809
where:
bonds (distance) C4'-P energy: -22.085
bonds (distance) P-C4' energy: -26.854
flat angles C4'-P-C4' energy: -27.599
flat angles P-C4'-P energy: -18.683
tors. eta vs tors. theta energy: -31.113
Dist. restrs. and SS energy: 0.418 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -394.100035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.100035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.359100 (E_RNA)
where:
Base-Base interactions energy: -256.475
where: short stacking energy: -106.276
Base-Backbone interact. energy: 0.729
local terms energy: -138.613496
where:
bonds (distance) C4'-P energy: -28.966
bonds (distance) P-C4' energy: -29.980
flat angles C4'-P-C4' energy: -20.681
flat angles P-C4'-P energy: -25.525
tors. eta vs tors. theta energy: -33.461
Dist. restrs. and SS energy: 0.259 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -403.285135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.285135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.553673 (E_RNA)
where:
Base-Base interactions energy: -272.733
where: short stacking energy: -108.291
Base-Backbone interact. energy: -0.665
local terms energy: -130.155886
where:
bonds (distance) C4'-P energy: -26.506
bonds (distance) P-C4' energy: -27.397
flat angles C4'-P-C4' energy: -28.645
flat angles P-C4'-P energy: -14.747
tors. eta vs tors. theta energy: -32.861
Dist. restrs. and SS energy: 0.269 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -370.715225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.715225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.161094 (E_RNA)
where:
Base-Base interactions energy: -241.715
where: short stacking energy: -104.577
Base-Backbone interact. energy: -0.167
local terms energy: -129.279166
where:
bonds (distance) C4'-P energy: -24.557
bonds (distance) P-C4' energy: -31.507
flat angles C4'-P-C4' energy: -30.336
flat angles P-C4'-P energy: -14.002
tors. eta vs tors. theta energy: -28.877
Dist. restrs. and SS energy: 0.446 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -366.422170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.422170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.470601 (E_RNA)
where:
Base-Base interactions energy: -243.665
where: short stacking energy: -90.476
Base-Backbone interact. energy: -0.602
local terms energy: -122.204270
where:
bonds (distance) C4'-P energy: -24.151
bonds (distance) P-C4' energy: -25.711
flat angles C4'-P-C4' energy: -28.173
flat angles P-C4'-P energy: -14.046
tors. eta vs tors. theta energy: -30.122
Dist. restrs. and SS energy: 0.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -333.233242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.233242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.819611 (E_RNA)
where:
Base-Base interactions energy: -214.900
where: short stacking energy: -82.333
Base-Backbone interact. energy: -0.312
local terms energy: -118.607074
where:
bonds (distance) C4'-P energy: -28.996
bonds (distance) P-C4' energy: -24.492
flat angles C4'-P-C4' energy: -24.325
flat angles P-C4'-P energy: -19.585
tors. eta vs tors. theta energy: -21.209
Dist. restrs. and SS energy: 0.586 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -344.221220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.221220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.329250 (E_RNA)
where:
Base-Base interactions energy: -232.015
where: short stacking energy: -94.111
Base-Backbone interact. energy: -0.157
local terms energy: -112.156679
where:
bonds (distance) C4'-P energy: -17.389
bonds (distance) P-C4' energy: -23.771
flat angles C4'-P-C4' energy: -29.064
flat angles P-C4'-P energy: -16.477
tors. eta vs tors. theta energy: -25.456
Dist. restrs. and SS energy: 0.108 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -329.458208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.458208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.623766 (E_RNA)
where:
Base-Base interactions energy: -222.605
where: short stacking energy: -83.286
Base-Backbone interact. energy: 0.242
local terms energy: -107.260557
where:
bonds (distance) C4'-P energy: -21.948
bonds (distance) P-C4' energy: -24.520
flat angles C4'-P-C4' energy: -18.796
flat angles P-C4'-P energy: -18.423
tors. eta vs tors. theta energy: -23.574
Dist. restrs. and SS energy: 0.166 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -313.281088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.281088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.222983 (E_RNA)
where:
Base-Base interactions energy: -222.206
where: short stacking energy: -78.331
Base-Backbone interact. energy: -0.890
local terms energy: -91.127348
where:
bonds (distance) C4'-P energy: -20.144
bonds (distance) P-C4' energy: -19.025
flat angles C4'-P-C4' energy: -20.337
flat angles P-C4'-P energy: -14.942
tors. eta vs tors. theta energy: -16.679
Dist. restrs. and SS energy: 0.942 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -414.637014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.637014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.655339 (E_RNA)
where:
Base-Base interactions energy: -284.726
where: short stacking energy: -119.933
Base-Backbone interact. energy: -0.162
local terms energy: -129.766922
where:
bonds (distance) C4'-P energy: -21.824
bonds (distance) P-C4' energy: -29.462
flat angles C4'-P-C4' energy: -27.968
flat angles P-C4'-P energy: -16.909
tors. eta vs tors. theta energy: -33.604
Dist. restrs. and SS energy: 0.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -420.775719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.775719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.922131 (E_RNA)
where:
Base-Base interactions energy: -287.441
where: short stacking energy: -116.467
Base-Backbone interact. energy: -0.169
local terms energy: -133.312838
where:
bonds (distance) C4'-P energy: -26.967
bonds (distance) P-C4' energy: -27.652
flat angles C4'-P-C4' energy: -28.140
flat angles P-C4'-P energy: -18.476
tors. eta vs tors. theta energy: -32.078
Dist. restrs. and SS energy: 0.146 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -385.914076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.914076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.115762 (E_RNA)
where:
Base-Base interactions energy: -264.918
where: short stacking energy: -108.641
Base-Backbone interact. energy: -0.302
local terms energy: -120.894927
where:
bonds (distance) C4'-P energy: -22.956
bonds (distance) P-C4' energy: -20.609
flat angles C4'-P-C4' energy: -30.412
flat angles P-C4'-P energy: -13.122
tors. eta vs tors. theta energy: -33.796
Dist. restrs. and SS energy: 0.202 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -387.157678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.157678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.314072 (E_RNA)
where:
Base-Base interactions energy: -263.998
where: short stacking energy: -97.608
Base-Backbone interact. energy: -0.929
local terms energy: -122.386782
where:
bonds (distance) C4'-P energy: -25.989
bonds (distance) P-C4' energy: -27.252
flat angles C4'-P-C4' energy: -25.715
flat angles P-C4'-P energy: -13.746
tors. eta vs tors. theta energy: -29.685
Dist. restrs. and SS energy: 0.156 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -375.315688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.315688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.570478 (E_RNA)
where:
Base-Base interactions energy: -241.200
where: short stacking energy: -91.408
Base-Backbone interact. energy: -2.104
local terms energy: -132.266513
where:
bonds (distance) C4'-P energy: -27.060
bonds (distance) P-C4' energy: -28.732
flat angles C4'-P-C4' energy: -30.649
flat angles P-C4'-P energy: -20.319
tors. eta vs tors. theta energy: -25.506
Dist. restrs. and SS energy: 0.255 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -359.141830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.141830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.528526 (E_RNA)
where:
Base-Base interactions energy: -234.041
where: short stacking energy: -101.981
Base-Backbone interact. energy: 0.348
local terms energy: -125.835141
where:
bonds (distance) C4'-P energy: -22.738
bonds (distance) P-C4' energy: -28.515
flat angles C4'-P-C4' energy: -31.261
flat angles P-C4'-P energy: -13.319
tors. eta vs tors. theta energy: -30.002
Dist. restrs. and SS energy: 0.387 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -359.191271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.191271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.744982 (E_RNA)
where:
Base-Base interactions energy: -242.185
where: short stacking energy: -101.445
Base-Backbone interact. energy: -0.786
local terms energy: -116.774807
where:
bonds (distance) C4'-P energy: -25.857
bonds (distance) P-C4' energy: -19.115
flat angles C4'-P-C4' energy: -28.589
flat angles P-C4'-P energy: -16.668
tors. eta vs tors. theta energy: -26.547
Dist. restrs. and SS energy: 0.554 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -340.899379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.899379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.394941 (E_RNA)
where:
Base-Base interactions energy: -241.853
where: short stacking energy: -101.399
Base-Backbone interact. energy: 1.902
local terms energy: -101.443958
where:
bonds (distance) C4'-P energy: -23.442
bonds (distance) P-C4' energy: -15.951
flat angles C4'-P-C4' energy: -28.544
flat angles P-C4'-P energy: -9.578
tors. eta vs tors. theta energy: -23.928
Dist. restrs. and SS energy: 0.496 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -333.845004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.845004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.257523 (E_RNA)
where:
Base-Base interactions energy: -228.228
where: short stacking energy: -90.567
Base-Backbone interact. energy: -0.337
local terms energy: -105.692277
where:
bonds (distance) C4'-P energy: -22.663
bonds (distance) P-C4' energy: -24.697
flat angles C4'-P-C4' energy: -25.277
flat angles P-C4'-P energy: -13.204
tors. eta vs tors. theta energy: -19.851
Dist. restrs. and SS energy: 0.413 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -316.704658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.704658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.968162 (E_RNA)
where:
Base-Base interactions energy: -214.857
where: short stacking energy: -74.731
Base-Backbone interact. energy: -0.343
local terms energy: -101.768241
where:
bonds (distance) C4'-P energy: -20.279
bonds (distance) P-C4' energy: -25.262
flat angles C4'-P-C4' energy: -22.685
flat angles P-C4'-P energy: -12.117
tors. eta vs tors. theta energy: -21.426
Dist. restrs. and SS energy: 0.264 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -408.626642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.626642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.813235 (E_RNA)
where:
Base-Base interactions energy: -276.447
where: short stacking energy: -127.025
Base-Backbone interact. energy: -1.054
local terms energy: -131.311783
where:
bonds (distance) C4'-P energy: -24.979
bonds (distance) P-C4' energy: -26.552
flat angles C4'-P-C4' energy: -28.058
flat angles P-C4'-P energy: -16.296
tors. eta vs tors. theta energy: -35.426
Dist. restrs. and SS energy: 0.187 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -417.394861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.394861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.506986 (E_RNA)
where:
Base-Base interactions energy: -272.517
where: short stacking energy: -113.934
Base-Backbone interact. energy: -0.643
local terms energy: -144.347128
where:
bonds (distance) C4'-P energy: -28.800
bonds (distance) P-C4' energy: -31.021
flat angles C4'-P-C4' energy: -29.503
flat angles P-C4'-P energy: -20.987
tors. eta vs tors. theta energy: -34.037
Dist. restrs. and SS energy: 0.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -387.724220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.724220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.965212 (E_RNA)
where:
Base-Base interactions energy: -267.911
where: short stacking energy: -113.624
Base-Backbone interact. energy: 0.859
local terms energy: -120.913007
where:
bonds (distance) C4'-P energy: -19.560
bonds (distance) P-C4' energy: -24.188
flat angles C4'-P-C4' energy: -29.019
flat angles P-C4'-P energy: -16.273
tors. eta vs tors. theta energy: -31.874
Dist. restrs. and SS energy: 0.241 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -382.496766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.496766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.600368 (E_RNA)
where:
Base-Base interactions energy: -256.473
where: short stacking energy: -96.819
Base-Backbone interact. energy: -0.346
local terms energy: -125.781025
where:
bonds (distance) C4'-P energy: -24.926
bonds (distance) P-C4' energy: -27.756
flat angles C4'-P-C4' energy: -26.143
flat angles P-C4'-P energy: -13.540
tors. eta vs tors. theta energy: -33.416
Dist. restrs. and SS energy: 0.104 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -366.748884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.748884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.813268 (E_RNA)
where:
Base-Base interactions energy: -255.676
where: short stacking energy: -98.148
Base-Backbone interact. energy: 1.309
local terms energy: -112.446309
where:
bonds (distance) C4'-P energy: -24.356
bonds (distance) P-C4' energy: -19.299
flat angles C4'-P-C4' energy: -24.222
flat angles P-C4'-P energy: -14.943
tors. eta vs tors. theta energy: -29.626
Dist. restrs. and SS energy: 0.064 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -368.831540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.831540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.867294 (E_RNA)
where:
Base-Base interactions energy: -250.568
where: short stacking energy: -97.793
Base-Backbone interact. energy: 0.084
local terms energy: -118.382927
where:
bonds (distance) C4'-P energy: -25.397
bonds (distance) P-C4' energy: -21.520
flat angles C4'-P-C4' energy: -30.596
flat angles P-C4'-P energy: -11.721
tors. eta vs tors. theta energy: -29.147
Dist. restrs. and SS energy: 0.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -344.230768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.230768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.846664 (E_RNA)
where:
Base-Base interactions energy: -228.750
where: short stacking energy: -86.515
Base-Backbone interact. energy: -0.046
local terms energy: -116.050605
where:
bonds (distance) C4'-P energy: -26.391
bonds (distance) P-C4' energy: -26.413
flat angles C4'-P-C4' energy: -27.877
flat angles P-C4'-P energy: -14.294
tors. eta vs tors. theta energy: -21.076
Dist. restrs. and SS energy: 0.616 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -335.852148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.852148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.216381 (E_RNA)
where:
Base-Base interactions energy: -216.202
where: short stacking energy: -81.352
Base-Backbone interact. energy: -0.150
local terms energy: -119.863638
where:
bonds (distance) C4'-P energy: -27.252
bonds (distance) P-C4' energy: -26.068
flat angles C4'-P-C4' energy: -24.918
flat angles P-C4'-P energy: -13.618
tors. eta vs tors. theta energy: -28.009
Dist. restrs. and SS energy: 0.364 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -316.855905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.855905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.061715 (E_RNA)
where:
Base-Base interactions energy: -221.628
where: short stacking energy: -90.152
Base-Backbone interact. energy: -0.640
local terms energy: -94.794617
where:
bonds (distance) C4'-P energy: -22.290
bonds (distance) P-C4' energy: -20.624
flat angles C4'-P-C4' energy: -20.373
flat angles P-C4'-P energy: -11.779
tors. eta vs tors. theta energy: -19.730
Dist. restrs. and SS energy: 0.206 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -301.808046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.808046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.052515 (E_RNA)
where:
Base-Base interactions energy: -213.775
where: short stacking energy: -89.895
Base-Backbone interact. energy: 0.180
local terms energy: -88.457381
where:
bonds (distance) C4'-P energy: -19.675
bonds (distance) P-C4' energy: -21.851
flat angles C4'-P-C4' energy: -19.463
flat angles P-C4'-P energy: -10.644
tors. eta vs tors. theta energy: -16.824
Dist. restrs. and SS energy: 0.244 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -432.004414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.004414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.140926 (E_RNA)
where:
Base-Base interactions energy: -294.659
where: short stacking energy: -117.162
Base-Backbone interact. energy: -0.328
local terms energy: -137.153724
where:
bonds (distance) C4'-P energy: -30.236
bonds (distance) P-C4' energy: -19.911
flat angles C4'-P-C4' energy: -32.356
flat angles P-C4'-P energy: -18.145
tors. eta vs tors. theta energy: -36.506
Dist. restrs. and SS energy: 0.137 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -406.913007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.913007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.137544 (E_RNA)
where:
Base-Base interactions energy: -264.470
where: short stacking energy: -112.415
Base-Backbone interact. energy: -0.148
local terms energy: -142.520415
where:
bonds (distance) C4'-P energy: -29.789
bonds (distance) P-C4' energy: -32.078
flat angles C4'-P-C4' energy: -28.714
flat angles P-C4'-P energy: -19.314
tors. eta vs tors. theta energy: -32.625
Dist. restrs. and SS energy: 0.225 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -391.043324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.043324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.438768 (E_RNA)
where:
Base-Base interactions energy: -253.325
where: short stacking energy: -105.248
Base-Backbone interact. energy: -2.116
local terms energy: -135.998187
where:
bonds (distance) C4'-P energy: -29.751
bonds (distance) P-C4' energy: -26.799
flat angles C4'-P-C4' energy: -31.445
flat angles P-C4'-P energy: -16.663
tors. eta vs tors. theta energy: -31.340
Dist. restrs. and SS energy: 0.395 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -382.526375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.526375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.718990 (E_RNA)
where:
Base-Base interactions energy: -258.851
where: short stacking energy: -111.737
Base-Backbone interact. energy: 0.005
local terms energy: -123.873636
where:
bonds (distance) C4'-P energy: -21.333
bonds (distance) P-C4' energy: -26.844
flat angles C4'-P-C4' energy: -24.353
flat angles P-C4'-P energy: -20.392
tors. eta vs tors. theta energy: -30.952
Dist. restrs. and SS energy: 0.193 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -379.199617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.199617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.396496 (E_RNA)
where:
Base-Base interactions energy: -253.454
where: short stacking energy: -105.232
Base-Backbone interact. energy: -0.507
local terms energy: -125.435100
where:
bonds (distance) C4'-P energy: -21.930
bonds (distance) P-C4' energy: -22.987
flat angles C4'-P-C4' energy: -27.057
flat angles P-C4'-P energy: -21.804
tors. eta vs tors. theta energy: -31.657
Dist. restrs. and SS energy: 0.197 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -378.491277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.491277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.025170 (E_RNA)
where:
Base-Base interactions energy: -256.416
where: short stacking energy: -110.225
Base-Backbone interact. energy: -0.365
local terms energy: -122.244112
where:
bonds (distance) C4'-P energy: -22.846
bonds (distance) P-C4' energy: -21.059
flat angles C4'-P-C4' energy: -27.424
flat angles P-C4'-P energy: -18.450
tors. eta vs tors. theta energy: -32.466
Dist. restrs. and SS energy: 0.534 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -354.125360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.125360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.309679 (E_RNA)
where:
Base-Base interactions energy: -239.105
where: short stacking energy: -90.622
Base-Backbone interact. energy: 0.933
local terms energy: -116.137392
where:
bonds (distance) C4'-P energy: -27.822
bonds (distance) P-C4' energy: -25.612
flat angles C4'-P-C4' energy: -25.275
flat angles P-C4'-P energy: -13.464
tors. eta vs tors. theta energy: -23.965
Dist. restrs. and SS energy: 0.184 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -346.794256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.794256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.327155 (E_RNA)
where:
Base-Base interactions energy: -242.749
where: short stacking energy: -89.041
Base-Backbone interact. energy: -0.394
local terms energy: -104.183673
where:
bonds (distance) C4'-P energy: -28.217
bonds (distance) P-C4' energy: -19.775
flat angles C4'-P-C4' energy: -24.529
flat angles P-C4'-P energy: -12.092
tors. eta vs tors. theta energy: -19.570
Dist. restrs. and SS energy: 0.533 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -315.422857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.422857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.372749 (E_RNA)
where:
Base-Base interactions energy: -218.580
where: short stacking energy: -91.530
Base-Backbone interact. energy: -0.154
local terms energy: -97.638450
where:
bonds (distance) C4'-P energy: -22.370
bonds (distance) P-C4' energy: -14.568
flat angles C4'-P-C4' energy: -19.178
flat angles P-C4'-P energy: -16.761
tors. eta vs tors. theta energy: -24.762
Dist. restrs. and SS energy: 0.950 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -307.652416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.652416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.061811 (E_RNA)
where:
Base-Base interactions energy: -207.504
where: short stacking energy: -78.648
Base-Backbone interact. energy: -0.829
local terms energy: -99.728848
where:
bonds (distance) C4'-P energy: -22.676
bonds (distance) P-C4' energy: -25.601
flat angles C4'-P-C4' energy: -22.179
flat angles P-C4'-P energy: -11.089
tors. eta vs tors. theta energy: -18.184
Dist. restrs. and SS energy: 0.409 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -426.044955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.044955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.118823 (E_RNA)
where:
Base-Base interactions energy: -287.929
where: short stacking energy: -118.451
Base-Backbone interact. energy: 0.093
local terms energy: -138.283188
where:
bonds (distance) C4'-P energy: -30.588
bonds (distance) P-C4' energy: -30.684
flat angles C4'-P-C4' energy: -25.170
flat angles P-C4'-P energy: -20.447
tors. eta vs tors. theta energy: -31.394
Dist. restrs. and SS energy: 0.074 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -408.687246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.687246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.795397 (E_RNA)
where:
Base-Base interactions energy: -269.163
where: short stacking energy: -113.587
Base-Backbone interact. energy: -1.240
local terms energy: -138.392009
where:
bonds (distance) C4'-P energy: -31.134
bonds (distance) P-C4' energy: -30.421
flat angles C4'-P-C4' energy: -31.080
flat angles P-C4'-P energy: -18.827
tors. eta vs tors. theta energy: -26.930
Dist. restrs. and SS energy: 0.108 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -395.258994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.258994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.390658 (E_RNA)
where:
Base-Base interactions energy: -259.885
where: short stacking energy: -109.413
Base-Backbone interact. energy: -0.469
local terms energy: -135.036198
where:
bonds (distance) C4'-P energy: -28.874
bonds (distance) P-C4' energy: -27.610
flat angles C4'-P-C4' energy: -31.701
flat angles P-C4'-P energy: -15.744
tors. eta vs tors. theta energy: -31.107
Dist. restrs. and SS energy: 0.132 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -391.933744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.933744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.139629 (E_RNA)
where:
Base-Base interactions energy: -260.584
where: short stacking energy: -114.709
Base-Backbone interact. energy: 0.481
local terms energy: -132.035909
where:
bonds (distance) C4'-P energy: -22.975
bonds (distance) P-C4' energy: -31.971
flat angles C4'-P-C4' energy: -25.733
flat angles P-C4'-P energy: -21.689
tors. eta vs tors. theta energy: -29.668
Dist. restrs. and SS energy: 0.206 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -368.260866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.260866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.536732 (E_RNA)
where:
Base-Base interactions energy: -257.500
where: short stacking energy: -95.613
Base-Backbone interact. energy: -0.688
local terms energy: -110.348705
where:
bonds (distance) C4'-P energy: -14.882
bonds (distance) P-C4' energy: -23.496
flat angles C4'-P-C4' energy: -26.918
flat angles P-C4'-P energy: -20.640
tors. eta vs tors. theta energy: -24.412
Dist. restrs. and SS energy: 0.276 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -368.884972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.884972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.983703 (E_RNA)
where:
Base-Base interactions energy: -253.204
where: short stacking energy: -94.064
Base-Backbone interact. energy: -0.308
local terms energy: -115.471931
where:
bonds (distance) C4'-P energy: -26.394
bonds (distance) P-C4' energy: -24.868
flat angles C4'-P-C4' energy: -22.830
flat angles P-C4'-P energy: -11.745
tors. eta vs tors. theta energy: -29.635
Dist. restrs. and SS energy: 0.099 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -353.876036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.876036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.139505 (E_RNA)
where:
Base-Base interactions energy: -232.768
where: short stacking energy: -91.868
Base-Backbone interact. energy: -0.814
local terms energy: -120.558076
where:
bonds (distance) C4'-P energy: -26.976
bonds (distance) P-C4' energy: -30.042
flat angles C4'-P-C4' energy: -24.892
flat angles P-C4'-P energy: -15.574
tors. eta vs tors. theta energy: -23.075
Dist. restrs. and SS energy: 0.263 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -325.173636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.173636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.286271 (E_RNA)
where:
Base-Base interactions energy: -220.348
where: short stacking energy: -80.901
Base-Backbone interact. energy: -1.021
local terms energy: -103.917271
where:
bonds (distance) C4'-P energy: -26.337
bonds (distance) P-C4' energy: -24.212
flat angles C4'-P-C4' energy: -18.582
flat angles P-C4'-P energy: -16.363
tors. eta vs tors. theta energy: -18.423
Dist. restrs. and SS energy: 0.113 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -347.040173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.040173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.213886 (E_RNA)
where:
Base-Base interactions energy: -226.424
where: short stacking energy: -88.445
Base-Backbone interact. energy: -1.282
local terms energy: -119.507590
where:
bonds (distance) C4'-P energy: -22.660
bonds (distance) P-C4' energy: -31.524
flat angles C4'-P-C4' energy: -26.772
flat angles P-C4'-P energy: -12.360
tors. eta vs tors. theta energy: -26.191
Dist. restrs. and SS energy: 0.174 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -314.240847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.240847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.890256 (E_RNA)
where:
Base-Base interactions energy: -217.642
where: short stacking energy: -76.315
Base-Backbone interact. energy: 1.373
local terms energy: -98.621855
where:
bonds (distance) C4'-P energy: -21.536
bonds (distance) P-C4' energy: -25.621
flat angles C4'-P-C4' energy: -22.160
flat angles P-C4'-P energy: -14.060
tors. eta vs tors. theta energy: -15.245
Dist. restrs. and SS energy: 0.649 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -424.270212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.270212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.502826 (E_RNA)
where:
Base-Base interactions energy: -288.774
where: short stacking energy: -113.318
Base-Backbone interact. energy: -0.622
local terms energy: -135.106976
where:
bonds (distance) C4'-P energy: -26.560
bonds (distance) P-C4' energy: -25.861
flat angles C4'-P-C4' energy: -29.017
flat angles P-C4'-P energy: -20.807
tors. eta vs tors. theta energy: -32.863
Dist. restrs. and SS energy: 0.233 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -408.803519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.803519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.946386 (E_RNA)
where:
Base-Base interactions energy: -269.505
where: short stacking energy: -117.681
Base-Backbone interact. energy: -0.512
local terms energy: -138.929288
where:
bonds (distance) C4'-P energy: -30.792
bonds (distance) P-C4' energy: -27.125
flat angles C4'-P-C4' energy: -31.504
flat angles P-C4'-P energy: -18.601
tors. eta vs tors. theta energy: -30.908
Dist. restrs. and SS energy: 0.143 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -392.120781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.120781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.309187 (E_RNA)
where:
Base-Base interactions energy: -265.367
where: short stacking energy: -108.671
Base-Backbone interact. energy: -0.534
local terms energy: -126.408004
where:
bonds (distance) C4'-P energy: -23.592
bonds (distance) P-C4' energy: -28.946
flat angles C4'-P-C4' energy: -26.652
flat angles P-C4'-P energy: -17.289
tors. eta vs tors. theta energy: -29.930
Dist. restrs. and SS energy: 0.188 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -354.206933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.206933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.451642 (E_RNA)
where:
Base-Base interactions energy: -234.336
where: short stacking energy: -88.465
Base-Backbone interact. energy: -0.312
local terms energy: -119.803352
where:
bonds (distance) C4'-P energy: -25.970
bonds (distance) P-C4' energy: -30.036
flat angles C4'-P-C4' energy: -27.983
flat angles P-C4'-P energy: -16.132
tors. eta vs tors. theta energy: -19.683
Dist. restrs. and SS energy: 0.245 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -387.450942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.450942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.003576 (E_RNA)
where:
Base-Base interactions energy: -268.400
where: short stacking energy: -110.608
Base-Backbone interact. energy: 0.910
local terms energy: -120.513975
where:
bonds (distance) C4'-P energy: -25.298
bonds (distance) P-C4' energy: -23.259
flat angles C4'-P-C4' energy: -24.858
flat angles P-C4'-P energy: -17.963
tors. eta vs tors. theta energy: -29.136
Dist. restrs. and SS energy: 0.553 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -355.802487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.802487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.153942 (E_RNA)
where:
Base-Base interactions energy: -242.075
where: short stacking energy: -91.755
Base-Backbone interact. energy: -1.055
local terms energy: -113.023871
where:
bonds (distance) C4'-P energy: -22.934
bonds (distance) P-C4' energy: -23.914
flat angles C4'-P-C4' energy: -26.147
flat angles P-C4'-P energy: -14.802
tors. eta vs tors. theta energy: -25.227
Dist. restrs. and SS energy: 0.351 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -335.714645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.714645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.977694 (E_RNA)
where:
Base-Base interactions energy: -227.147
where: short stacking energy: -93.775
Base-Backbone interact. energy: -0.568
local terms energy: -108.263265
where:
bonds (distance) C4'-P energy: -15.473
bonds (distance) P-C4' energy: -25.130
flat angles C4'-P-C4' energy: -22.592
flat angles P-C4'-P energy: -18.682
tors. eta vs tors. theta energy: -26.387
Dist. restrs. and SS energy: 0.263 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -334.128202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.128202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.291120 (E_RNA)
where:
Base-Base interactions energy: -218.190
where: short stacking energy: -77.297
Base-Backbone interact. energy: -0.133
local terms energy: -115.967536
where:
bonds (distance) C4'-P energy: -24.225
bonds (distance) P-C4' energy: -28.492
flat angles C4'-P-C4' energy: -22.362
flat angles P-C4'-P energy: -16.672
tors. eta vs tors. theta energy: -24.216
Dist. restrs. and SS energy: 0.163 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -323.275569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.275569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.648274 (E_RNA)
where:
Base-Base interactions energy: -226.083
where: short stacking energy: -83.748
Base-Backbone interact. energy: -1.206
local terms energy: -96.359363
where:
bonds (distance) C4'-P energy: -19.971
bonds (distance) P-C4' energy: -27.036
flat angles C4'-P-C4' energy: -18.284
flat angles P-C4'-P energy: -12.118
tors. eta vs tors. theta energy: -18.950
Dist. restrs. and SS energy: 0.373 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -312.445900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.445900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.737718 (E_RNA)
where:
Base-Base interactions energy: -213.755
where: short stacking energy: -69.634
Base-Backbone interact. energy: -1.042
local terms energy: -97.940421
where:
bonds (distance) C4'-P energy: -25.643
bonds (distance) P-C4' energy: -17.076
flat angles C4'-P-C4' energy: -23.423
flat angles P-C4'-P energy: -13.255
tors. eta vs tors. theta energy: -18.544
Dist. restrs. and SS energy: 0.292 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -429.130595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.130595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.180018 (E_RNA)
where:
Base-Base interactions energy: -287.490
where: short stacking energy: -113.025
Base-Backbone interact. energy: -0.393
local terms energy: -141.296277
where:
bonds (distance) C4'-P energy: -30.380
bonds (distance) P-C4' energy: -28.857
flat angles C4'-P-C4' energy: -30.687
flat angles P-C4'-P energy: -15.734
tors. eta vs tors. theta energy: -35.638
Dist. restrs. and SS energy: 0.049 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -410.310387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.310387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.566636 (E_RNA)
where:
Base-Base interactions energy: -270.958
where: short stacking energy: -113.874
Base-Backbone interact. energy: -0.538
local terms energy: -139.070341
where:
bonds (distance) C4'-P energy: -29.632
bonds (distance) P-C4' energy: -30.678
flat angles C4'-P-C4' energy: -30.125
flat angles P-C4'-P energy: -15.050
tors. eta vs tors. theta energy: -33.585
Dist. restrs. and SS energy: 0.256 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -391.846310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.846310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.899379 (E_RNA)
where:
Base-Base interactions energy: -265.998
where: short stacking energy: -116.260
Base-Backbone interact. energy: -0.400
local terms energy: -125.501425
where:
bonds (distance) C4'-P energy: -29.263
bonds (distance) P-C4' energy: -28.022
flat angles C4'-P-C4' energy: -24.638
flat angles P-C4'-P energy: -16.479
tors. eta vs tors. theta energy: -27.101
Dist. restrs. and SS energy: 0.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -391.611964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.611964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.839765 (E_RNA)
where:
Base-Base interactions energy: -271.510
where: short stacking energy: -111.150
Base-Backbone interact. energy: -1.357
local terms energy: -118.972856
where:
bonds (distance) C4'-P energy: -23.630
bonds (distance) P-C4' energy: -20.576
flat angles C4'-P-C4' energy: -25.264
flat angles P-C4'-P energy: -18.536
tors. eta vs tors. theta energy: -30.966
Dist. restrs. and SS energy: 0.228 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -350.858367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.858367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.230630 (E_RNA)
where:
Base-Base interactions energy: -236.301
where: short stacking energy: -92.538
Base-Backbone interact. energy: -0.892
local terms energy: -114.037652
where:
bonds (distance) C4'-P energy: -21.322
bonds (distance) P-C4' energy: -25.579
flat angles C4'-P-C4' energy: -24.253
flat angles P-C4'-P energy: -15.518
tors. eta vs tors. theta energy: -27.366
Dist. restrs. and SS energy: 0.372 (S_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: 99
Temperature: 1.150000
Total energy: -373.622734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.622734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.066680 (E_RNA)
where:
Base-Base interactions energy: -255.496
where: short stacking energy: -107.382
Base-Backbone interact. energy: -0.188
local terms energy: -118.383287
where:
bonds (distance) C4'-P energy: -21.187
bonds (distance) P-C4' energy: -25.743
flat angles C4'-P-C4' energy: -23.585
flat angles P-C4'-P energy: -16.582
tors. eta vs tors. theta energy: -31.286
Dist. restrs. and SS energy: 0.444 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -333.619908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.619908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.849711 (E_RNA)
where:
Base-Base interactions energy: -232.900
where: short stacking energy: -94.859
Base-Backbone interact. energy: 1.327
local terms energy: -102.277283
where:
bonds (distance) C4'-P energy: -22.196
bonds (distance) P-C4' energy: -21.488
flat angles C4'-P-C4' energy: -24.849
flat angles P-C4'-P energy: -10.362
tors. eta vs tors. theta energy: -23.381
Dist. restrs. and SS energy: 0.230 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -334.682752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.682752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.954362 (E_RNA)
where:
Base-Base interactions energy: -236.579
where: short stacking energy: -88.251
Base-Backbone interact. energy: 2.656
local terms energy: -101.031767
where:
bonds (distance) C4'-P energy: -18.951
bonds (distance) P-C4' energy: -16.798
flat angles C4'-P-C4' energy: -25.291
flat angles P-C4'-P energy: -17.509
tors. eta vs tors. theta energy: -22.482
Dist. restrs. and SS energy: 0.272 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -325.573286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.573286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.418989 (E_RNA)
where:
Base-Base interactions energy: -218.129
where: short stacking energy: -86.522
Base-Backbone interact. energy: 2.384
local terms energy: -110.674443
where:
bonds (distance) C4'-P energy: -24.671
bonds (distance) P-C4' energy: -24.728
flat angles C4'-P-C4' energy: -22.805
flat angles P-C4'-P energy: -16.871
tors. eta vs tors. theta energy: -21.599
Dist. restrs. and SS energy: 0.846 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -320.304043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.304043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.830247 (E_RNA)
where:
Base-Base interactions energy: -221.878
where: short stacking energy: -80.443
Base-Backbone interact. energy: -0.274
local terms energy: -98.678512
where:
bonds (distance) C4'-P energy: -25.072
bonds (distance) P-C4' energy: -18.240
flat angles C4'-P-C4' energy: -15.585
flat angles P-C4'-P energy: -10.115
tors. eta vs tors. theta energy: -29.667
Dist. restrs. and SS energy: 0.526 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -416.115173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.115173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.219436 (E_RNA)
where:
Base-Base interactions energy: -277.998
where: short stacking energy: -117.835
Base-Backbone interact. energy: -0.124
local terms energy: -138.096861
where:
bonds (distance) C4'-P energy: -28.696
bonds (distance) P-C4' energy: -26.865
flat angles C4'-P-C4' energy: -28.364
flat angles P-C4'-P energy: -20.825
tors. eta vs tors. theta energy: -33.348
Dist. restrs. and SS energy: 0.104 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -411.160973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.160973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.330982 (E_RNA)
where:
Base-Base interactions energy: -276.784
where: short stacking energy: -112.097
Base-Backbone interact. energy: -0.238
local terms energy: -134.308915
where:
bonds (distance) C4'-P energy: -24.917
bonds (distance) P-C4' energy: -27.165
flat angles C4'-P-C4' energy: -30.005
flat angles P-C4'-P energy: -20.371
tors. eta vs tors. theta energy: -31.851
Dist. restrs. and SS energy: 0.170 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -404.358492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.358492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.364240 (E_RNA)
where:
Base-Base interactions energy: -267.560
where: short stacking energy: -118.885
Base-Backbone interact. energy: 0.198
local terms energy: -137.002613
where:
bonds (distance) C4'-P energy: -25.173
bonds (distance) P-C4' energy: -25.866
flat angles C4'-P-C4' energy: -29.680
flat angles P-C4'-P energy: -22.423
tors. eta vs tors. theta energy: -33.861
Dist. restrs. and SS energy: 0.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -378.607204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.607204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.616631 (E_RNA)
where:
Base-Base interactions energy: -265.223
where: short stacking energy: -111.776
Base-Backbone interact. energy: -0.828
local terms energy: -112.564785
where:
bonds (distance) C4'-P energy: -23.683
bonds (distance) P-C4' energy: -25.645
flat angles C4'-P-C4' energy: -24.345
flat angles P-C4'-P energy: -10.877
tors. eta vs tors. theta energy: -28.014
Dist. restrs. and SS energy: 0.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -368.813600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.813600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.427421 (E_RNA)
where:
Base-Base interactions energy: -247.851
where: short stacking energy: -98.330
Base-Backbone interact. energy: -0.831
local terms energy: -120.745654
where:
bonds (distance) C4'-P energy: -21.966
bonds (distance) P-C4' energy: -28.099
flat angles C4'-P-C4' energy: -22.666
flat angles P-C4'-P energy: -21.761
tors. eta vs tors. theta energy: -26.253
Dist. restrs. and SS energy: 0.614 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -379.717484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.717484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.175008 (E_RNA)
where:
Base-Base interactions energy: -255.139
where: short stacking energy: -94.592
Base-Backbone interact. energy: -0.700
local terms energy: -124.336624
where:
bonds (distance) C4'-P energy: -26.005
bonds (distance) P-C4' energy: -26.611
flat angles C4'-P-C4' energy: -29.699
flat angles P-C4'-P energy: -16.025
tors. eta vs tors. theta energy: -25.997
Dist. restrs. and SS energy: 0.458 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -343.887318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.887318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.362794 (E_RNA)
where:
Base-Base interactions energy: -231.013
where: short stacking energy: -94.600
Base-Backbone interact. energy: -1.063
local terms energy: -112.286459
where:
bonds (distance) C4'-P energy: -27.914
bonds (distance) P-C4' energy: -25.350
flat angles C4'-P-C4' energy: -24.573
flat angles P-C4'-P energy: -10.654
tors. eta vs tors. theta energy: -23.795
Dist. restrs. and SS energy: 0.475 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -325.925294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.925294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.561243 (E_RNA)
where:
Base-Base interactions energy: -217.028
where: short stacking energy: -82.234
Base-Backbone interact. energy: -0.507
local terms energy: -109.026591
where:
bonds (distance) C4'-P energy: -23.712
bonds (distance) P-C4' energy: -25.282
flat angles C4'-P-C4' energy: -22.460
flat angles P-C4'-P energy: -14.848
tors. eta vs tors. theta energy: -22.726
Dist. restrs. and SS energy: 0.636 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -329.394375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.394375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.911133 (E_RNA)
where:
Base-Base interactions energy: -225.812
where: short stacking energy: -89.805
Base-Backbone interact. energy: -0.258
local terms energy: -103.841568
where:
bonds (distance) C4'-P energy: -28.418
bonds (distance) P-C4' energy: -14.332
flat angles C4'-P-C4' energy: -22.291
flat angles P-C4'-P energy: -12.225
tors. eta vs tors. theta energy: -26.576
Dist. restrs. and SS energy: 0.517 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -325.299386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.299386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.758498 (E_RNA)
where:
Base-Base interactions energy: -213.034
where: short stacking energy: -76.478
Base-Backbone interact. energy: 1.864
local terms energy: -114.587891
where:
bonds (distance) C4'-P energy: -18.913
bonds (distance) P-C4' energy: -26.357
flat angles C4'-P-C4' energy: -27.903
flat angles P-C4'-P energy: -19.157
tors. eta vs tors. theta energy: -22.259
Dist. restrs. and SS energy: 0.459 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -421.002034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.002034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.087252 (E_RNA)
where:
Base-Base interactions energy: -284.818
where: short stacking energy: -124.525
Base-Backbone interact. energy: -0.600
local terms energy: -135.669591
where:
bonds (distance) C4'-P energy: -24.868
bonds (distance) P-C4' energy: -30.486
flat angles C4'-P-C4' energy: -29.867
flat angles P-C4'-P energy: -15.910
tors. eta vs tors. theta energy: -34.540
Dist. restrs. and SS energy: 0.085 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -427.998078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.998078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.226551 (E_RNA)
where:
Base-Base interactions energy: -290.114
where: short stacking energy: -119.701
Base-Backbone interact. energy: 0.141
local terms energy: -138.253790
where:
bonds (distance) C4'-P energy: -28.634
bonds (distance) P-C4' energy: -24.402
flat angles C4'-P-C4' energy: -30.765
flat angles P-C4'-P energy: -19.145
tors. eta vs tors. theta energy: -35.308
Dist. restrs. and SS energy: 0.228 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -393.003180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.003180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.420771 (E_RNA)
where:
Base-Base interactions energy: -258.881
where: short stacking energy: -113.499
Base-Backbone interact. energy: 0.153
local terms energy: -134.693290
where:
bonds (distance) C4'-P energy: -29.020
bonds (distance) P-C4' energy: -31.241
flat angles C4'-P-C4' energy: -29.088
flat angles P-C4'-P energy: -20.166
tors. eta vs tors. theta energy: -25.178
Dist. restrs. and SS energy: 0.418 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -377.010935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.010935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.527139 (E_RNA)
where:
Base-Base interactions energy: -259.577
where: short stacking energy: -111.514
Base-Backbone interact. energy: -0.053
local terms energy: -117.897002
where:
bonds (distance) C4'-P energy: -25.840
bonds (distance) P-C4' energy: -26.133
flat angles C4'-P-C4' energy: -25.448
flat angles P-C4'-P energy: -15.750
tors. eta vs tors. theta energy: -24.727
Dist. restrs. and SS energy: 0.516 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -386.965618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.965618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.297391 (E_RNA)
where:
Base-Base interactions energy: -266.762
where: short stacking energy: -102.918
Base-Backbone interact. energy: -0.375
local terms energy: -120.160403
where:
bonds (distance) C4'-P energy: -24.235
bonds (distance) P-C4' energy: -26.946
flat angles C4'-P-C4' energy: -30.046
flat angles P-C4'-P energy: -13.455
tors. eta vs tors. theta energy: -25.478
Dist. restrs. and SS energy: 0.332 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -359.048641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.048641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.780121 (E_RNA)
where:
Base-Base interactions energy: -238.081
where: short stacking energy: -89.967
Base-Backbone interact. energy: -0.155
local terms energy: -121.544416
where:
bonds (distance) C4'-P energy: -24.121
bonds (distance) P-C4' energy: -30.390
flat angles C4'-P-C4' energy: -27.316
flat angles P-C4'-P energy: -15.095
tors. eta vs tors. theta energy: -24.622
Dist. restrs. and SS energy: 0.731 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -374.629188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.629188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.858694 (E_RNA)
where:
Base-Base interactions energy: -254.634
where: short stacking energy: -103.597
Base-Backbone interact. energy: 0.149
local terms energy: -120.373573
where:
bonds (distance) C4'-P energy: -20.505
bonds (distance) P-C4' energy: -28.786
flat angles C4'-P-C4' energy: -29.271
flat angles P-C4'-P energy: -16.042
tors. eta vs tors. theta energy: -25.769
Dist. restrs. and SS energy: 0.230 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -339.810983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.810983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.899698 (E_RNA)
where:
Base-Base interactions energy: -231.738
where: short stacking energy: -89.895
Base-Backbone interact. energy: -0.726
local terms energy: -107.435662
where:
bonds (distance) C4'-P energy: -17.339
bonds (distance) P-C4' energy: -19.755
flat angles C4'-P-C4' energy: -26.919
flat angles P-C4'-P energy: -17.211
tors. eta vs tors. theta energy: -26.212
Dist. restrs. and SS energy: 0.089 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -332.514934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.514934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.717763 (E_RNA)
where:
Base-Base interactions energy: -226.090
where: short stacking energy: -96.716
Base-Backbone interact. energy: -0.552
local terms energy: -106.075279
where:
bonds (distance) C4'-P energy: -17.701
bonds (distance) P-C4' energy: -21.465
flat angles C4'-P-C4' energy: -19.843
flat angles P-C4'-P energy: -17.814
tors. eta vs tors. theta energy: -29.251
Dist. restrs. and SS energy: 0.203 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -313.021244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.021244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.877200 (E_RNA)
where:
Base-Base interactions energy: -202.421
where: short stacking energy: -73.107
Base-Backbone interact. energy: -0.350
local terms energy: -111.106149
where:
bonds (distance) C4'-P energy: -26.851
bonds (distance) P-C4' energy: -23.941
flat angles C4'-P-C4' energy: -22.191
flat angles P-C4'-P energy: -19.314
tors. eta vs tors. theta energy: -18.809
Dist. restrs. and SS energy: 0.856 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -419.782526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.782526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.005044 (E_RNA)
where:
Base-Base interactions energy: -289.898
where: short stacking energy: -120.723
Base-Backbone interact. energy: -1.732
local terms energy: -129.375575
where:
bonds (distance) C4'-P energy: -23.953
bonds (distance) P-C4' energy: -21.356
flat angles C4'-P-C4' energy: -31.587
flat angles P-C4'-P energy: -18.100
tors. eta vs tors. theta energy: -34.380
Dist. restrs. and SS energy: 1.223 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -401.521063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.521063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.669716 (E_RNA)
where:
Base-Base interactions energy: -266.536
where: short stacking energy: -100.223
Base-Backbone interact. energy: -1.578
local terms energy: -133.555765
where:
bonds (distance) C4'-P energy: -28.237
bonds (distance) P-C4' energy: -28.547
flat angles C4'-P-C4' energy: -28.852
flat angles P-C4'-P energy: -12.218
tors. eta vs tors. theta energy: -35.701
Dist. restrs. and SS energy: 0.149 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -395.380477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.380477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.775834 (E_RNA)
where:
Base-Base interactions energy: -269.351
where: short stacking energy: -114.610
Base-Backbone interact. energy: -0.741
local terms energy: -125.684128
where:
bonds (distance) C4'-P energy: -25.959
bonds (distance) P-C4' energy: -26.743
flat angles C4'-P-C4' energy: -24.955
flat angles P-C4'-P energy: -16.127
tors. eta vs tors. theta energy: -31.900
Dist. restrs. and SS energy: 0.395 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -384.818064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.818064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.012124 (E_RNA)
where:
Base-Base interactions energy: -253.603
where: short stacking energy: -108.821
Base-Backbone interact. energy: -0.556
local terms energy: -130.852497
where:
bonds (distance) C4'-P energy: -28.281
bonds (distance) P-C4' energy: -25.467
flat angles C4'-P-C4' energy: -27.866
flat angles P-C4'-P energy: -19.831
tors. eta vs tors. theta energy: -29.407
Dist. restrs. and SS energy: 0.194 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -399.325970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.325970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.347523 (E_RNA)
where:
Base-Base interactions energy: -268.461
where: short stacking energy: -107.408
Base-Backbone interact. energy: -0.412
local terms energy: -130.475018
where:
bonds (distance) C4'-P energy: -24.461
bonds (distance) P-C4' energy: -30.942
flat angles C4'-P-C4' energy: -28.186
flat angles P-C4'-P energy: -18.829
tors. eta vs tors. theta energy: -28.057
Dist. restrs. and SS energy: 0.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -349.545559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.545559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.856633 (E_RNA)
where:
Base-Base interactions energy: -225.433
where: short stacking energy: -86.793
Base-Backbone interact. energy: -0.114
local terms energy: -124.309499
where:
bonds (distance) C4'-P energy: -23.676
bonds (distance) P-C4' energy: -27.352
flat angles C4'-P-C4' energy: -30.711
flat angles P-C4'-P energy: -20.248
tors. eta vs tors. theta energy: -22.323
Dist. restrs. and SS energy: 0.311 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -346.374595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.374595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.747314 (E_RNA)
where:
Base-Base interactions energy: -223.821
where: short stacking energy: -93.774
Base-Backbone interact. energy: -0.701
local terms energy: -122.225349
where:
bonds (distance) C4'-P energy: -22.927
bonds (distance) P-C4' energy: -26.908
flat angles C4'-P-C4' energy: -29.165
flat angles P-C4'-P energy: -19.728
tors. eta vs tors. theta energy: -23.496
Dist. restrs. and SS energy: 0.373 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -334.373755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.373755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.962607 (E_RNA)
where:
Base-Base interactions energy: -221.855
where: short stacking energy: -88.093
Base-Backbone interact. energy: -0.493
local terms energy: -112.614905
where:
bonds (distance) C4'-P energy: -20.307
bonds (distance) P-C4' energy: -22.880
flat angles C4'-P-C4' energy: -28.654
flat angles P-C4'-P energy: -18.938
tors. eta vs tors. theta energy: -21.837
Dist. restrs. and SS energy: 0.589 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -329.890392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.890392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.223789 (E_RNA)
where:
Base-Base interactions energy: -223.279
where: short stacking energy: -90.009
Base-Backbone interact. energy: -0.289
local terms energy: -106.655394
where:
bonds (distance) C4'-P energy: -21.194
bonds (distance) P-C4' energy: -26.360
flat angles C4'-P-C4' energy: -22.508
flat angles P-C4'-P energy: -13.941
tors. eta vs tors. theta energy: -22.652
Dist. restrs. and SS energy: 0.333 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -315.087806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.087806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.525099 (E_RNA)
where:
Base-Base interactions energy: -205.549
where: short stacking energy: -78.829
Base-Backbone interact. energy: -1.507
local terms energy: -108.469351
where:
bonds (distance) C4'-P energy: -23.618
bonds (distance) P-C4' energy: -25.552
flat angles C4'-P-C4' energy: -23.180
flat angles P-C4'-P energy: -17.122
tors. eta vs tors. theta energy: -18.998
Dist. restrs. and SS energy: 0.437 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -417.700202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.700202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.878317 (E_RNA)
where:
Base-Base interactions energy: -278.961
where: short stacking energy: -119.813
Base-Backbone interact. energy: -0.211
local terms energy: -138.706136
where:
bonds (distance) C4'-P energy: -25.659
bonds (distance) P-C4' energy: -30.424
flat angles C4'-P-C4' energy: -26.219
flat angles P-C4'-P energy: -18.960
tors. eta vs tors. theta energy: -37.444
Dist. restrs. and SS energy: 0.178 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -410.300564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.300564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.408572 (E_RNA)
where:
Base-Base interactions energy: -281.925
where: short stacking energy: -104.242
Base-Backbone interact. energy: -0.227
local terms energy: -128.256249
where:
bonds (distance) C4'-P energy: -23.065
bonds (distance) P-C4' energy: -24.930
flat angles C4'-P-C4' energy: -27.323
flat angles P-C4'-P energy: -18.818
tors. eta vs tors. theta energy: -34.119
Dist. restrs. and SS energy: 0.108 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -411.416960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.416960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.594581 (E_RNA)
where:
Base-Base interactions energy: -284.466
where: short stacking energy: -114.090
Base-Backbone interact. energy: -0.345
local terms energy: -126.783709
where:
bonds (distance) C4'-P energy: -26.016
bonds (distance) P-C4' energy: -30.537
flat angles C4'-P-C4' energy: -28.489
flat angles P-C4'-P energy: -11.756
tors. eta vs tors. theta energy: -29.986
Dist. restrs. and SS energy: 0.178 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -392.123022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.123022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.176834 (E_RNA)
where:
Base-Base interactions energy: -255.721
where: short stacking energy: -108.854
Base-Backbone interact. energy: 0.767
local terms energy: -137.222572
where:
bonds (distance) C4'-P energy: -27.964
bonds (distance) P-C4' energy: -29.270
flat angles C4'-P-C4' energy: -24.715
flat angles P-C4'-P energy: -24.998
tors. eta vs tors. theta energy: -30.274
Dist. restrs. and SS energy: 0.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -370.372953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.372953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.726375 (E_RNA)
where:
Base-Base interactions energy: -242.646
where: short stacking energy: -97.559
Base-Backbone interact. energy: -0.915
local terms energy: -127.165075
where:
bonds (distance) C4'-P energy: -23.781
bonds (distance) P-C4' energy: -26.203
flat angles C4'-P-C4' energy: -29.624
flat angles P-C4'-P energy: -19.828
tors. eta vs tors. theta energy: -27.729
Dist. restrs. and SS energy: 0.353 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -347.379502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.379502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.811812 (E_RNA)
where:
Base-Base interactions energy: -225.824
where: short stacking energy: -99.974
Base-Backbone interact. energy: -0.130
local terms energy: -121.858669
where:
bonds (distance) C4'-P energy: -27.044
bonds (distance) P-C4' energy: -24.709
flat angles C4'-P-C4' energy: -25.125
flat angles P-C4'-P energy: -17.193
tors. eta vs tors. theta energy: -27.788
Dist. restrs. and SS energy: 0.432 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -355.180760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.180760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.249728 (E_RNA)
where:
Base-Base interactions energy: -240.512
where: short stacking energy: -95.602
Base-Backbone interact. energy: -0.709
local terms energy: -114.028080
where:
bonds (distance) C4'-P energy: -24.929
bonds (distance) P-C4' energy: -26.861
flat angles C4'-P-C4' energy: -22.548
flat angles P-C4'-P energy: -13.554
tors. eta vs tors. theta energy: -26.136
Dist. restrs. and SS energy: 0.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -348.027721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.027721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.210721 (E_RNA)
where:
Base-Base interactions energy: -232.983
where: short stacking energy: -88.569
Base-Backbone interact. energy: -1.178
local terms energy: -114.049746
where:
bonds (distance) C4'-P energy: -28.329
bonds (distance) P-C4' energy: -23.330
flat angles C4'-P-C4' energy: -21.178
flat angles P-C4'-P energy: -15.618
tors. eta vs tors. theta energy: -25.594
Dist. restrs. and SS energy: 0.183 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -326.799467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.799467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.628208 (E_RNA)
where:
Base-Base interactions energy: -226.096
where: short stacking energy: -104.681
Base-Backbone interact. energy: 0.356
local terms energy: -101.887532
where:
bonds (distance) C4'-P energy: -22.590
bonds (distance) P-C4' energy: -22.580
flat angles C4'-P-C4' energy: -27.218
flat angles P-C4'-P energy: -7.485
tors. eta vs tors. theta energy: -22.015
Dist. restrs. and SS energy: 0.829 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -321.995848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.995848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.425984 (E_RNA)
where:
Base-Base interactions energy: -216.777
where: short stacking energy: -76.721
Base-Backbone interact. energy: -1.583
local terms energy: -104.065452
where:
bonds (distance) C4'-P energy: -20.573
bonds (distance) P-C4' energy: -19.236
flat angles C4'-P-C4' energy: -26.248
flat angles P-C4'-P energy: -19.265
tors. eta vs tors. theta energy: -18.743
Dist. restrs. and SS energy: 0.430 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -418.961254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.961254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.236389 (E_RNA)
where:
Base-Base interactions energy: -285.649
where: short stacking energy: -125.134
Base-Backbone interact. energy: -0.117
local terms energy: -133.471360
where:
bonds (distance) C4'-P energy: -29.074
bonds (distance) P-C4' energy: -19.732
flat angles C4'-P-C4' energy: -29.833
flat angles P-C4'-P energy: -18.444
tors. eta vs tors. theta energy: -36.388
Dist. restrs. and SS energy: 0.275 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -404.665567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.665567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.997040 (E_RNA)
where:
Base-Base interactions energy: -268.606
where: short stacking energy: -99.075
Base-Backbone interact. energy: -0.520
local terms energy: -135.870085
where:
bonds (distance) C4'-P energy: -26.834
bonds (distance) P-C4' energy: -29.431
flat angles C4'-P-C4' energy: -30.939
flat angles P-C4'-P energy: -19.257
tors. eta vs tors. theta energy: -29.409
Dist. restrs. and SS energy: 0.331 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -406.501373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.501373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.704052 (E_RNA)
where:
Base-Base interactions energy: -276.396
where: short stacking energy: -110.263
Base-Backbone interact. energy: -0.355
local terms energy: -129.953687
where:
bonds (distance) C4'-P energy: -28.676
bonds (distance) P-C4' energy: -26.795
flat angles C4'-P-C4' energy: -26.889
flat angles P-C4'-P energy: -17.310
tors. eta vs tors. theta energy: -30.284
Dist. restrs. and SS energy: 0.203 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -391.528778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.528778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.565991 (E_RNA)
where:
Base-Base interactions energy: -262.044
where: short stacking energy: -102.846
Base-Backbone interact. energy: -1.369
local terms energy: -128.153461
where:
bonds (distance) C4'-P energy: -27.835
bonds (distance) P-C4' energy: -23.580
flat angles C4'-P-C4' energy: -26.288
flat angles P-C4'-P energy: -18.284
tors. eta vs tors. theta energy: -32.167
Dist. restrs. and SS energy: 0.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -385.575609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.575609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.455139 (E_RNA)
where:
Base-Base interactions energy: -263.207
where: short stacking energy: -105.512
Base-Backbone interact. energy: -0.388
local terms energy: -122.860204
where:
bonds (distance) C4'-P energy: -24.583
bonds (distance) P-C4' energy: -26.592
flat angles C4'-P-C4' energy: -25.876
flat angles P-C4'-P energy: -15.614
tors. eta vs tors. theta energy: -30.196
Dist. restrs. and SS energy: 0.880 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -340.250945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.250945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.659599 (E_RNA)
where:
Base-Base interactions energy: -225.443
where: short stacking energy: -92.338
Base-Backbone interact. energy: -0.489
local terms energy: -114.727184
where:
bonds (distance) C4'-P energy: -23.493
bonds (distance) P-C4' energy: -29.304
flat angles C4'-P-C4' energy: -24.745
flat angles P-C4'-P energy: -15.839
tors. eta vs tors. theta energy: -21.346
Dist. restrs. and SS energy: 0.409 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -358.736478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.736478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.076222 (E_RNA)
where:
Base-Base interactions energy: -231.401
where: short stacking energy: -83.680
Base-Backbone interact. energy: -1.052
local terms energy: -126.622655
where:
bonds (distance) C4'-P energy: -26.975
bonds (distance) P-C4' energy: -29.321
flat angles C4'-P-C4' energy: -25.209
flat angles P-C4'-P energy: -15.619
tors. eta vs tors. theta energy: -29.498
Dist. restrs. and SS energy: 0.340 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -348.061679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.061679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.289321 (E_RNA)
where:
Base-Base interactions energy: -238.311
where: short stacking energy: -92.318
Base-Backbone interact. energy: 0.421
local terms energy: -110.398455
where:
bonds (distance) C4'-P energy: -23.853
bonds (distance) P-C4' energy: -23.035
flat angles C4'-P-C4' energy: -18.858
flat angles P-C4'-P energy: -16.414
tors. eta vs tors. theta energy: -28.239
Dist. restrs. and SS energy: 0.228 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -328.879906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.879906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.399196 (E_RNA)
where:
Base-Base interactions energy: -230.492
where: short stacking energy: -91.938
Base-Backbone interact. energy: -0.158
local terms energy: -98.749309
where:
bonds (distance) C4'-P energy: -13.675
bonds (distance) P-C4' energy: -23.177
flat angles C4'-P-C4' energy: -24.558
flat angles P-C4'-P energy: -17.937
tors. eta vs tors. theta energy: -19.402
Dist. restrs. and SS energy: 0.519 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -312.612137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.612137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.456187 (E_RNA)
where:
Base-Base interactions energy: -203.886
where: short stacking energy: -77.677
Base-Backbone interact. energy: -0.496
local terms energy: -109.074283
where:
bonds (distance) C4'-P energy: -20.108
bonds (distance) P-C4' energy: -30.230
flat angles C4'-P-C4' energy: -27.214
flat angles P-C4'-P energy: -13.548
tors. eta vs tors. theta energy: -17.974
Dist. restrs. and SS energy: 0.844 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -418.647970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.647970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.948439 (E_RNA)
where:
Base-Base interactions energy: -287.519
where: short stacking energy: -115.980
Base-Backbone interact. energy: -1.400
local terms energy: -130.029225
where:
bonds (distance) C4'-P energy: -24.358
bonds (distance) P-C4' energy: -26.549
flat angles C4'-P-C4' energy: -26.723
flat angles P-C4'-P energy: -19.940
tors. eta vs tors. theta energy: -32.460
Dist. restrs. and SS energy: 0.300 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -407.394075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.394075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.631258 (E_RNA)
where:
Base-Base interactions energy: -270.490
where: short stacking energy: -108.163
Base-Backbone interact. energy: -0.527
local terms energy: -136.614106
where:
bonds (distance) C4'-P energy: -20.715
bonds (distance) P-C4' energy: -30.669
flat angles C4'-P-C4' energy: -31.373
flat angles P-C4'-P energy: -19.690
tors. eta vs tors. theta energy: -34.168
Dist. restrs. and SS energy: 0.237 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -405.068741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.068741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.363436 (E_RNA)
where:
Base-Base interactions energy: -269.653
where: short stacking energy: -112.553
Base-Backbone interact. energy: -1.050
local terms energy: -134.661106
where:
bonds (distance) C4'-P energy: -25.044
bonds (distance) P-C4' energy: -24.063
flat angles C4'-P-C4' energy: -32.238
flat angles P-C4'-P energy: -20.789
tors. eta vs tors. theta energy: -32.527
Dist. restrs. and SS energy: 0.295 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -390.407822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.407822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.015290 (E_RNA)
where:
Base-Base interactions energy: -262.416
where: short stacking energy: -101.235
Base-Backbone interact. energy: -0.124
local terms energy: -128.474964
where:
bonds (distance) C4'-P energy: -24.933
bonds (distance) P-C4' energy: -29.524
flat angles C4'-P-C4' energy: -28.961
flat angles P-C4'-P energy: -17.094
tors. eta vs tors. theta energy: -27.963
Dist. restrs. and SS energy: 0.607 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -386.091543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.091543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.308706 (E_RNA)
where:
Base-Base interactions energy: -262.833
where: short stacking energy: -106.311
Base-Backbone interact. energy: -0.191
local terms energy: -123.285116
where:
bonds (distance) C4'-P energy: -24.145
bonds (distance) P-C4' energy: -27.600
flat angles C4'-P-C4' energy: -24.631
flat angles P-C4'-P energy: -17.252
tors. eta vs tors. theta energy: -29.658
Dist. restrs. and SS energy: 0.217 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -369.670624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.670624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.225524 (E_RNA)
where:
Base-Base interactions energy: -242.698
where: short stacking energy: -99.120
Base-Backbone interact. energy: -1.938
local terms energy: -125.589985
where:
bonds (distance) C4'-P energy: -25.433
bonds (distance) P-C4' energy: -20.832
flat angles C4'-P-C4' energy: -31.416
flat angles P-C4'-P energy: -20.308
tors. eta vs tors. theta energy: -27.601
Dist. restrs. and SS energy: 0.555 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -351.924504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.924504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.438355 (E_RNA)
where:
Base-Base interactions energy: -240.193
where: short stacking energy: -97.913
Base-Backbone interact. energy: -0.309
local terms energy: -111.935980
where:
bonds (distance) C4'-P energy: -21.045
bonds (distance) P-C4' energy: -22.495
flat angles C4'-P-C4' energy: -25.008
flat angles P-C4'-P energy: -17.105
tors. eta vs tors. theta energy: -26.284
Dist. restrs. and SS energy: 0.514 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -358.230146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.230146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.437940 (E_RNA)
where:
Base-Base interactions energy: -246.505
where: short stacking energy: -101.587
Base-Backbone interact. energy: 0.389
local terms energy: -112.321467
where:
bonds (distance) C4'-P energy: -30.158
bonds (distance) P-C4' energy: -23.502
flat angles C4'-P-C4' energy: -22.828
flat angles P-C4'-P energy: -12.584
tors. eta vs tors. theta energy: -23.250
Dist. restrs. and SS energy: 0.208 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -299.577532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.577532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.504842 (E_RNA)
where:
Base-Base interactions energy: -186.371
where: short stacking energy: -61.399
Base-Backbone interact. energy: -0.149
local terms energy: -113.984547
where:
bonds (distance) C4'-P energy: -22.853
bonds (distance) P-C4' energy: -27.701
flat angles C4'-P-C4' energy: -27.313
flat angles P-C4'-P energy: -17.641
tors. eta vs tors. theta energy: -18.477
Dist. restrs. and SS energy: 0.927 (S_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: 105
Temperature: 1.350000
Total energy: -308.729904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.729904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.902084 (E_RNA)
where:
Base-Base interactions energy: -214.594
where: short stacking energy: -75.060
Base-Backbone interact. energy: -0.626
local terms energy: -93.681449
where:
bonds (distance) C4'-P energy: -19.761
bonds (distance) P-C4' energy: -19.393
flat angles C4'-P-C4' energy: -20.838
flat angles P-C4'-P energy: -16.296
tors. eta vs tors. theta energy: -17.394
Dist. restrs. and SS energy: 0.172 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -420.066743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.066743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.443398 (E_RNA)
where:
Base-Base interactions energy: -282.722
where: short stacking energy: -121.631
Base-Backbone interact. energy: -1.656
local terms energy: -136.065415
where:
bonds (distance) C4'-P energy: -26.630
bonds (distance) P-C4' energy: -26.387
flat angles C4'-P-C4' energy: -31.566
flat angles P-C4'-P energy: -16.583
tors. eta vs tors. theta energy: -34.900
Dist. restrs. and SS energy: 0.377 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -421.001343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.001343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.221371 (E_RNA)
where:
Base-Base interactions energy: -293.768
where: short stacking energy: -114.597
Base-Backbone interact. energy: 0.057
local terms energy: -127.510762
where:
bonds (distance) C4'-P energy: -24.425
bonds (distance) P-C4' energy: -26.868
flat angles C4'-P-C4' energy: -31.799
flat angles P-C4'-P energy: -14.846
tors. eta vs tors. theta energy: -29.574
Dist. restrs. and SS energy: 0.220 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -404.099554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.099554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.320273 (E_RNA)
where:
Base-Base interactions energy: -267.226
where: short stacking energy: -99.060
Base-Backbone interact. energy: -0.545
local terms energy: -136.549493
where:
bonds (distance) C4'-P energy: -31.276
bonds (distance) P-C4' energy: -26.817
flat angles C4'-P-C4' energy: -30.638
flat angles P-C4'-P energy: -15.552
tors. eta vs tors. theta energy: -32.266
Dist. restrs. and SS energy: 0.221 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -376.587622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.587622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.903434 (E_RNA)
where:
Base-Base interactions energy: -261.191
where: short stacking energy: -98.152
Base-Backbone interact. energy: -0.140
local terms energy: -115.572861
where:
bonds (distance) C4'-P energy: -20.871
bonds (distance) P-C4' energy: -19.640
flat angles C4'-P-C4' energy: -28.304
flat angles P-C4'-P energy: -13.396
tors. eta vs tors. theta energy: -33.362
Dist. restrs. and SS energy: 0.316 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -382.310548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.310548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.444018 (E_RNA)
where:
Base-Base interactions energy: -250.446
where: short stacking energy: -103.406
Base-Backbone interact. energy: -1.071
local terms energy: -130.926567
where:
bonds (distance) C4'-P energy: -20.362
bonds (distance) P-C4' energy: -30.782
flat angles C4'-P-C4' energy: -29.803
flat angles P-C4'-P energy: -18.234
tors. eta vs tors. theta energy: -31.745
Dist. restrs. and SS energy: 0.133 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -376.449403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.449403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.890986 (E_RNA)
where:
Base-Base interactions energy: -242.855
where: short stacking energy: -103.025
Base-Backbone interact. energy: -1.052
local terms energy: -132.983130
where:
bonds (distance) C4'-P energy: -29.421
bonds (distance) P-C4' energy: -29.463
flat angles C4'-P-C4' energy: -24.299
flat angles P-C4'-P energy: -20.406
tors. eta vs tors. theta energy: -29.394
Dist. restrs. and SS energy: 0.442 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -349.006767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.006767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.393954 (E_RNA)
where:
Base-Base interactions energy: -240.952
where: short stacking energy: -93.814
Base-Backbone interact. energy: -0.404
local terms energy: -108.037862
where:
bonds (distance) C4'-P energy: -20.284
bonds (distance) P-C4' energy: -17.497
flat angles C4'-P-C4' energy: -30.787
flat angles P-C4'-P energy: -10.593
tors. eta vs tors. theta energy: -28.877
Dist. restrs. and SS energy: 0.387 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -332.680054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.680054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.170229 (E_RNA)
where:
Base-Base interactions energy: -217.383
where: short stacking energy: -89.599
Base-Backbone interact. energy: -0.173
local terms energy: -115.613525
where:
bonds (distance) C4'-P energy: -28.816
bonds (distance) P-C4' energy: -26.449
flat angles C4'-P-C4' energy: -26.417
flat angles P-C4'-P energy: -14.711
tors. eta vs tors. theta energy: -19.220
Dist. restrs. and SS energy: 0.490 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -308.346452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.346452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.624676 (E_RNA)
where:
Base-Base interactions energy: -213.380
where: short stacking energy: -77.874
Base-Backbone interact. energy: -0.133
local terms energy: -95.111272
where:
bonds (distance) C4'-P energy: -21.019
bonds (distance) P-C4' energy: -21.740
flat angles C4'-P-C4' energy: -26.114
flat angles P-C4'-P energy: -10.959
tors. eta vs tors. theta energy: -15.280
Dist. restrs. and SS energy: 0.278 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -309.921125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.921125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.496949 (E_RNA)
where:
Base-Base interactions energy: -201.070
where: short stacking energy: -68.725
Base-Backbone interact. energy: 1.149
local terms energy: -110.575360
where:
bonds (distance) C4'-P energy: -27.458
bonds (distance) P-C4' energy: -27.107
flat angles C4'-P-C4' energy: -21.686
flat angles P-C4'-P energy: -17.893
tors. eta vs tors. theta energy: -16.432
Dist. restrs. and SS energy: 0.576 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -420.780739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.780739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.941305 (E_RNA)
where:
Base-Base interactions energy: -283.263
where: short stacking energy: -110.032
Base-Backbone interact. energy: -1.899
local terms energy: -135.779281
where:
bonds (distance) C4'-P energy: -24.515
bonds (distance) P-C4' energy: -30.602
flat angles C4'-P-C4' energy: -27.261
flat angles P-C4'-P energy: -19.461
tors. eta vs tors. theta energy: -33.941
Dist. restrs. and SS energy: 0.161 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -418.424304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.424304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.767321 (E_RNA)
where:
Base-Base interactions energy: -280.553
where: short stacking energy: -114.578
Base-Backbone interact. energy: 0.193
local terms energy: -138.407698
where:
bonds (distance) C4'-P energy: -30.019
bonds (distance) P-C4' energy: -29.843
flat angles C4'-P-C4' energy: -27.462
flat angles P-C4'-P energy: -17.137
tors. eta vs tors. theta energy: -33.946
Dist. restrs. and SS energy: 0.343 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -409.043705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.043705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.082341 (E_RNA)
where:
Base-Base interactions energy: -282.999
where: short stacking energy: -114.979
Base-Backbone interact. energy: 2.105
local terms energy: -128.188075
where:
bonds (distance) C4'-P energy: -25.429
bonds (distance) P-C4' energy: -26.783
flat angles C4'-P-C4' energy: -25.576
flat angles P-C4'-P energy: -16.856
tors. eta vs tors. theta energy: -33.543
Dist. restrs. and SS energy: 0.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -393.569141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.569141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.005194 (E_RNA)
where:
Base-Base interactions energy: -263.657
where: short stacking energy: -108.697
Base-Backbone interact. energy: -0.998
local terms energy: -129.350492
where:
bonds (distance) C4'-P energy: -21.719
bonds (distance) P-C4' energy: -26.214
flat angles C4'-P-C4' energy: -27.228
flat angles P-C4'-P energy: -20.963
tors. eta vs tors. theta energy: -33.226
Dist. restrs. and SS energy: 0.436 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -380.681747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.681747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.919475 (E_RNA)
where:
Base-Base interactions energy: -245.707
where: short stacking energy: -105.499
Base-Backbone interact. energy: -0.192
local terms energy: -135.020361
where:
bonds (distance) C4'-P energy: -30.444
bonds (distance) P-C4' energy: -24.933
flat angles C4'-P-C4' energy: -28.979
flat angles P-C4'-P energy: -21.971
tors. eta vs tors. theta energy: -28.693
Dist. restrs. and SS energy: 0.238 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -372.882192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.882192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.905557 (E_RNA)
where:
Base-Base interactions energy: -253.793
where: short stacking energy: -92.839
Base-Backbone interact. energy: -1.110
local terms energy: -118.003121
where:
bonds (distance) C4'-P energy: -25.208
bonds (distance) P-C4' energy: -26.501
flat angles C4'-P-C4' energy: -24.775
flat angles P-C4'-P energy: -16.016
tors. eta vs tors. theta energy: -25.503
Dist. restrs. and SS energy: 0.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -364.887172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.887172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.446486 (E_RNA)
where:
Base-Base interactions energy: -240.249
where: short stacking energy: -99.014
Base-Backbone interact. energy: -0.341
local terms energy: -124.856684
where:
bonds (distance) C4'-P energy: -28.738
bonds (distance) P-C4' energy: -22.111
flat angles C4'-P-C4' energy: -30.334
flat angles P-C4'-P energy: -16.130
tors. eta vs tors. theta energy: -27.544
Dist. restrs. and SS energy: 0.559 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -342.239584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.239584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.409538 (E_RNA)
where:
Base-Base interactions energy: -230.755
where: short stacking energy: -93.287
Base-Backbone interact. energy: -0.602
local terms energy: -111.052930
where:
bonds (distance) C4'-P energy: -16.304
bonds (distance) P-C4' energy: -21.675
flat angles C4'-P-C4' energy: -26.248
flat angles P-C4'-P energy: -19.641
tors. eta vs tors. theta energy: -27.186
Dist. restrs. and SS energy: 0.170 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -314.878363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.878363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.249062 (E_RNA)
where:
Base-Base interactions energy: -216.632
where: short stacking energy: -82.699
Base-Backbone interact. energy: -2.697
local terms energy: -95.920109
where:
bonds (distance) C4'-P energy: -16.937
bonds (distance) P-C4' energy: -25.786
flat angles C4'-P-C4' energy: -24.509
flat angles P-C4'-P energy: -11.950
tors. eta vs tors. theta energy: -16.738
Dist. restrs. and SS energy: 0.371 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -321.550423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.550423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.854517 (E_RNA)
where:
Base-Base interactions energy: -215.323
where: short stacking energy: -79.640
Base-Backbone interact. energy: 1.196
local terms energy: -107.728181
where:
bonds (distance) C4'-P energy: -21.005
bonds (distance) P-C4' energy: -26.391
flat angles C4'-P-C4' energy: -28.310
flat angles P-C4'-P energy: -13.662
tors. eta vs tors. theta energy: -18.360
Dist. restrs. and SS energy: 0.304 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -428.973126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.973126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.270275 (E_RNA)
where:
Base-Base interactions energy: -288.925
where: short stacking energy: -115.526
Base-Backbone interact. energy: 0.824
local terms energy: -141.169253
where:
bonds (distance) C4'-P energy: -31.634
bonds (distance) P-C4' energy: -30.978
flat angles C4'-P-C4' energy: -26.088
flat angles P-C4'-P energy: -17.737
tors. eta vs tors. theta energy: -34.733
Dist. restrs. and SS energy: 0.297 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -413.208217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.208217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.446033 (E_RNA)
where:
Base-Base interactions energy: -288.062
where: short stacking energy: -115.438
Base-Backbone interact. energy: -0.280
local terms energy: -125.104308
where:
bonds (distance) C4'-P energy: -28.246
bonds (distance) P-C4' energy: -22.334
flat angles C4'-P-C4' energy: -28.595
flat angles P-C4'-P energy: -14.165
tors. eta vs tors. theta energy: -31.765
Dist. restrs. and SS energy: 0.238 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -416.912031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.912031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.087319 (E_RNA)
where:
Base-Base interactions energy: -282.074
where: short stacking energy: -114.917
Base-Backbone interact. energy: -0.446
local terms energy: -134.567208
where:
bonds (distance) C4'-P energy: -24.237
bonds (distance) P-C4' energy: -29.618
flat angles C4'-P-C4' energy: -30.050
flat angles P-C4'-P energy: -17.069
tors. eta vs tors. theta energy: -33.593
Dist. restrs. and SS energy: 0.175 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -406.486689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.486689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.931771 (E_RNA)
where:
Base-Base interactions energy: -265.125
where: short stacking energy: -102.666
Base-Backbone interact. energy: -0.381
local terms energy: -141.426122
where:
bonds (distance) C4'-P energy: -28.016
bonds (distance) P-C4' energy: -31.213
flat angles C4'-P-C4' energy: -27.574
flat angles P-C4'-P energy: -19.292
tors. eta vs tors. theta energy: -35.331
Dist. restrs. and SS energy: 0.445 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -370.847625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.847625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.996816 (E_RNA)
where:
Base-Base interactions energy: -258.189
where: short stacking energy: -90.551
Base-Backbone interact. energy: -2.121
local terms energy: -110.686840
where:
bonds (distance) C4'-P energy: -19.493
bonds (distance) P-C4' energy: -26.993
flat angles C4'-P-C4' energy: -21.282
flat angles P-C4'-P energy: -18.518
tors. eta vs tors. theta energy: -24.400
Dist. restrs. and SS energy: 0.149 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -370.930641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.930641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.288715 (E_RNA)
where:
Base-Base interactions energy: -245.837
where: short stacking energy: -109.853
Base-Backbone interact. energy: -0.766
local terms energy: -124.685669
where:
bonds (distance) C4'-P energy: -21.186
bonds (distance) P-C4' energy: -28.176
flat angles C4'-P-C4' energy: -25.293
flat angles P-C4'-P energy: -17.660
tors. eta vs tors. theta energy: -32.370
Dist. restrs. and SS energy: 0.358 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -350.047477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.047477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.723482 (E_RNA)
where:
Base-Base interactions energy: -235.640
where: short stacking energy: -96.363
Base-Backbone interact. energy: 1.332
local terms energy: -116.415882
where:
bonds (distance) C4'-P energy: -22.546
bonds (distance) P-C4' energy: -27.189
flat angles C4'-P-C4' energy: -25.282
flat angles P-C4'-P energy: -20.215
tors. eta vs tors. theta energy: -21.184
Dist. restrs. and SS energy: 0.676 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -352.086480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.086480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.503178 (E_RNA)
where:
Base-Base interactions energy: -239.067
where: short stacking energy: -86.211
Base-Backbone interact. energy: -0.143
local terms energy: -113.293467
where:
bonds (distance) C4'-P energy: -21.866
bonds (distance) P-C4' energy: -23.609
flat angles C4'-P-C4' energy: -29.029
flat angles P-C4'-P energy: -16.199
tors. eta vs tors. theta energy: -22.591
Dist. restrs. and SS energy: 0.417 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -335.422787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.422787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.898999 (E_RNA)
where:
Base-Base interactions energy: -225.861
where: short stacking energy: -86.299
Base-Backbone interact. energy: -0.206
local terms energy: -109.831960
where:
bonds (distance) C4'-P energy: -23.440
bonds (distance) P-C4' energy: -26.640
flat angles C4'-P-C4' energy: -16.037
flat angles P-C4'-P energy: -16.934
tors. eta vs tors. theta energy: -26.782
Dist. restrs. and SS energy: 0.476 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -319.343599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.343599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.372001 (E_RNA)
where:
Base-Base interactions energy: -208.581
where: short stacking energy: -81.091
Base-Backbone interact. energy: -0.979
local terms energy: -109.811843
where:
bonds (distance) C4'-P energy: -24.826
bonds (distance) P-C4' energy: -21.475
flat angles C4'-P-C4' energy: -22.064
flat angles P-C4'-P energy: -18.853
tors. eta vs tors. theta energy: -22.595
Dist. restrs. and SS energy: 0.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -427.440475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.440475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.875663 (E_RNA)
where:
Base-Base interactions energy: -288.143
where: short stacking energy: -120.234
Base-Backbone interact. energy: 0.252
local terms energy: -139.984856
where:
bonds (distance) C4'-P energy: -25.604
bonds (distance) P-C4' energy: -28.528
flat angles C4'-P-C4' energy: -33.267
flat angles P-C4'-P energy: -20.725
tors. eta vs tors. theta energy: -31.860
Dist. restrs. and SS energy: 0.435 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -416.039722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.039722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.319175 (E_RNA)
where:
Base-Base interactions energy: -282.296
where: short stacking energy: -115.261
Base-Backbone interact. energy: -0.404
local terms energy: -133.619303
where:
bonds (distance) C4'-P energy: -31.669
bonds (distance) P-C4' energy: -27.975
flat angles C4'-P-C4' energy: -26.998
flat angles P-C4'-P energy: -18.622
tors. eta vs tors. theta energy: -28.355
Dist. restrs. and SS energy: 0.279 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -414.105301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.105301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.347525 (E_RNA)
where:
Base-Base interactions energy: -279.150
where: short stacking energy: -113.556
Base-Backbone interact. energy: -1.512
local terms energy: -133.685946
where:
bonds (distance) C4'-P energy: -23.294
bonds (distance) P-C4' energy: -29.420
flat angles C4'-P-C4' energy: -29.843
flat angles P-C4'-P energy: -19.468
tors. eta vs tors. theta energy: -31.661
Dist. restrs. and SS energy: 0.242 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -384.219784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.219784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.527944 (E_RNA)
where:
Base-Base interactions energy: -264.309
where: short stacking energy: -100.766
Base-Backbone interact. energy: -0.265
local terms energy: -119.954068
where:
bonds (distance) C4'-P energy: -20.076
bonds (distance) P-C4' energy: -24.670
flat angles C4'-P-C4' energy: -28.975
flat angles P-C4'-P energy: -18.326
tors. eta vs tors. theta energy: -27.908
Dist. restrs. and SS energy: 0.308 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -388.283092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.283092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.476256 (E_RNA)
where:
Base-Base interactions energy: -263.126
where: short stacking energy: -115.450
Base-Backbone interact. energy: -1.463
local terms energy: -123.886365
where:
bonds (distance) C4'-P energy: -21.833
bonds (distance) P-C4' energy: -28.620
flat angles C4'-P-C4' energy: -27.287
flat angles P-C4'-P energy: -12.348
tors. eta vs tors. theta energy: -33.799
Dist. restrs. and SS energy: 0.193 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -361.269163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.269163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.443385 (E_RNA)
where:
Base-Base interactions energy: -241.234
where: short stacking energy: -104.990
Base-Backbone interact. energy: -0.083
local terms energy: -120.126670
where:
bonds (distance) C4'-P energy: -23.227
bonds (distance) P-C4' energy: -29.139
flat angles C4'-P-C4' energy: -22.631
flat angles P-C4'-P energy: -15.710
tors. eta vs tors. theta energy: -29.420
Dist. restrs. and SS energy: 0.174 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -354.555670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.555670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.747057 (E_RNA)
where:
Base-Base interactions energy: -241.794
where: short stacking energy: -103.060
Base-Backbone interact. energy: -0.293
local terms energy: -112.660399
where:
bonds (distance) C4'-P energy: -28.404
bonds (distance) P-C4' energy: -18.436
flat angles C4'-P-C4' energy: -28.593
flat angles P-C4'-P energy: -12.574
tors. eta vs tors. theta energy: -24.653
Dist. restrs. and SS energy: 0.191 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -371.691473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.691473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.864419 (E_RNA)
where:
Base-Base interactions energy: -249.674
where: short stacking energy: -96.602
Base-Backbone interact. energy: -0.776
local terms energy: -121.414967
where:
bonds (distance) C4'-P energy: -27.897
bonds (distance) P-C4' energy: -23.385
flat angles C4'-P-C4' energy: -23.059
flat angles P-C4'-P energy: -14.826
tors. eta vs tors. theta energy: -32.247
Dist. restrs. and SS energy: 0.173 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -361.357422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.357422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.560832 (E_RNA)
where:
Base-Base interactions energy: -243.706
where: short stacking energy: -90.956
Base-Backbone interact. energy: -0.414
local terms energy: -117.441187
where:
bonds (distance) C4'-P energy: -17.678
bonds (distance) P-C4' energy: -26.847
flat angles C4'-P-C4' energy: -30.898
flat angles P-C4'-P energy: -17.325
tors. eta vs tors. theta energy: -24.693
Dist. restrs. and SS energy: 0.203 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -311.819007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.819007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.267436 (E_RNA)
where:
Base-Base interactions energy: -222.362
where: short stacking energy: -86.284
Base-Backbone interact. energy: -0.022
local terms energy: -89.883255
where:
bonds (distance) C4'-P energy: -28.089
bonds (distance) P-C4' energy: -15.237
flat angles C4'-P-C4' energy: -20.820
flat angles P-C4'-P energy: -6.734
tors. eta vs tors. theta energy: -19.003
Dist. restrs. and SS energy: 0.448 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -432.248104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.248104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.638273 (E_RNA)
where:
Base-Base interactions energy: -291.284
where: short stacking energy: -127.195
Base-Backbone interact. energy: -0.210
local terms energy: -141.144528
where:
bonds (distance) C4'-P energy: -28.856
bonds (distance) P-C4' energy: -24.987
flat angles C4'-P-C4' energy: -28.336
flat angles P-C4'-P energy: -23.128
tors. eta vs tors. theta energy: -35.838
Dist. restrs. and SS energy: 0.390 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -408.688435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.688435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.781859 (E_RNA)
where:
Base-Base interactions energy: -283.092
where: short stacking energy: -118.763
Base-Backbone interact. energy: 0.158
local terms energy: -125.848373
where:
bonds (distance) C4'-P energy: -25.218
bonds (distance) P-C4' energy: -22.656
flat angles C4'-P-C4' energy: -25.735
flat angles P-C4'-P energy: -21.163
tors. eta vs tors. theta energy: -31.076
Dist. restrs. and SS energy: 0.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -411.914136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.914136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.222163 (E_RNA)
where:
Base-Base interactions energy: -278.369
where: short stacking energy: -107.910
Base-Backbone interact. energy: -1.335
local terms energy: -132.518948
where:
bonds (distance) C4'-P energy: -32.079
bonds (distance) P-C4' energy: -23.596
flat angles C4'-P-C4' energy: -25.623
flat angles P-C4'-P energy: -18.108
tors. eta vs tors. theta energy: -33.113
Dist. restrs. and SS energy: 0.308 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -381.507383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.507383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.639893 (E_RNA)
where:
Base-Base interactions energy: -254.503
where: short stacking energy: -104.731
Base-Backbone interact. energy: -1.086
local terms energy: -126.050821
where:
bonds (distance) C4'-P energy: -21.074
bonds (distance) P-C4' energy: -30.428
flat angles C4'-P-C4' energy: -25.795
flat angles P-C4'-P energy: -18.846
tors. eta vs tors. theta energy: -29.907
Dist. restrs. and SS energy: 0.133 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -383.060800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.060800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.263345 (E_RNA)
where:
Base-Base interactions energy: -262.633
where: short stacking energy: -102.533
Base-Backbone interact. energy: -0.349
local terms energy: -120.280832
where:
bonds (distance) C4'-P energy: -25.040
bonds (distance) P-C4' energy: -25.993
flat angles C4'-P-C4' energy: -25.279
flat angles P-C4'-P energy: -16.041
tors. eta vs tors. theta energy: -27.928
Dist. restrs. and SS energy: 0.203 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -356.504627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.504627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.767273 (E_RNA)
where:
Base-Base interactions energy: -245.443
where: short stacking energy: -96.506
Base-Backbone interact. energy: 2.142
local terms energy: -113.467023
where:
bonds (distance) C4'-P energy: -26.413
bonds (distance) P-C4' energy: -26.845
flat angles C4'-P-C4' energy: -17.686
flat angles P-C4'-P energy: -13.505
tors. eta vs tors. theta energy: -29.018
Dist. restrs. and SS energy: 0.263 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -363.219900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.219900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.307884 (E_RNA)
where:
Base-Base interactions energy: -240.559
where: short stacking energy: -98.318
Base-Backbone interact. energy: -0.892
local terms energy: -121.856771
where:
bonds (distance) C4'-P energy: -23.272
bonds (distance) P-C4' energy: -28.379
flat angles C4'-P-C4' energy: -27.064
flat angles P-C4'-P energy: -13.576
tors. eta vs tors. theta energy: -29.566
Dist. restrs. and SS energy: 0.088 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -339.625314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.625314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.145121 (E_RNA)
where:
Base-Base interactions energy: -221.949
where: short stacking energy: -89.264
Base-Backbone interact. energy: -0.463
local terms energy: -117.732727
where:
bonds (distance) C4'-P energy: -22.830
bonds (distance) P-C4' energy: -27.829
flat angles C4'-P-C4' energy: -22.777
flat angles P-C4'-P energy: -15.004
tors. eta vs tors. theta energy: -29.292
Dist. restrs. and SS energy: 0.520 (S_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: 110
Temperature: 1.300000
Total energy: -355.101395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.101395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.278908 (E_RNA)
where:
Base-Base interactions energy: -240.982
where: short stacking energy: -101.686
Base-Backbone interact. energy: -1.018
local terms energy: -114.279174
where:
bonds (distance) C4'-P energy: -23.001
bonds (distance) P-C4' energy: -23.805
flat angles C4'-P-C4' energy: -28.470
flat angles P-C4'-P energy: -15.903
tors. eta vs tors. theta energy: -23.100
Dist. restrs. and SS energy: 1.178 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -310.948353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.948353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.420399 (E_RNA)
where:
Base-Base interactions energy: -202.241
where: short stacking energy: -85.311
Base-Backbone interact. energy: -0.789
local terms energy: -108.389931
where:
bonds (distance) C4'-P energy: -23.653
bonds (distance) P-C4' energy: -23.392
flat angles C4'-P-C4' energy: -20.487
flat angles P-C4'-P energy: -21.131
tors. eta vs tors. theta energy: -19.727
Dist. restrs. and SS energy: 0.472 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -428.268025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.268025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.337774 (E_RNA)
where:
Base-Base interactions energy: -308.056
where: short stacking energy: -122.037
Base-Backbone interact. energy: -2.102
local terms energy: -118.178888
where:
bonds (distance) C4'-P energy: -23.955
bonds (distance) P-C4' energy: -23.531
flat angles C4'-P-C4' energy: -29.156
flat angles P-C4'-P energy: -7.943
tors. eta vs tors. theta energy: -33.593
Dist. restrs. and SS energy: 0.070 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -414.551139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.551139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.160186 (E_RNA)
where:
Base-Base interactions energy: -280.964
where: short stacking energy: -118.772
Base-Backbone interact. energy: -1.617
local terms energy: -132.579060
where:
bonds (distance) C4'-P energy: -21.107
bonds (distance) P-C4' energy: -29.612
flat angles C4'-P-C4' energy: -29.799
flat angles P-C4'-P energy: -21.457
tors. eta vs tors. theta energy: -30.604
Dist. restrs. and SS energy: 0.609 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -396.583984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.583984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.819086 (E_RNA)
where:
Base-Base interactions energy: -266.997
where: short stacking energy: -92.544
Base-Backbone interact. energy: -0.977
local terms energy: -128.845800
where:
bonds (distance) C4'-P energy: -28.496
bonds (distance) P-C4' energy: -30.410
flat angles C4'-P-C4' energy: -28.244
flat angles P-C4'-P energy: -14.263
tors. eta vs tors. theta energy: -27.434
Dist. restrs. and SS energy: 0.235 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -383.174689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.174689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.600277 (E_RNA)
where:
Base-Base interactions energy: -258.953
where: short stacking energy: -96.699
Base-Backbone interact. energy: 0.366
local terms energy: -125.013319
where:
bonds (distance) C4'-P energy: -29.422
bonds (distance) P-C4' energy: -26.256
flat angles C4'-P-C4' energy: -31.631
flat angles P-C4'-P energy: -14.204
tors. eta vs tors. theta energy: -23.501
Dist. restrs. and SS energy: 0.426 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -391.934579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.934579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.139351 (E_RNA)
where:
Base-Base interactions energy: -270.346
where: short stacking energy: -114.944
Base-Backbone interact. energy: -0.276
local terms energy: -121.517716
where:
bonds (distance) C4'-P energy: -24.051
bonds (distance) P-C4' energy: -19.122
flat angles C4'-P-C4' energy: -31.570
flat angles P-C4'-P energy: -15.572
tors. eta vs tors. theta energy: -31.203
Dist. restrs. and SS energy: 0.205 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -378.161086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.161086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.274850 (E_RNA)
where:
Base-Base interactions energy: -249.379
where: short stacking energy: -104.486
Base-Backbone interact. energy: -1.312
local terms energy: -127.584346
where:
bonds (distance) C4'-P energy: -23.327
bonds (distance) P-C4' energy: -27.453
flat angles C4'-P-C4' energy: -29.002
flat angles P-C4'-P energy: -19.985
tors. eta vs tors. theta energy: -27.818
Dist. restrs. and SS energy: 0.114 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -348.037782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.037782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.138899 (E_RNA)
where:
Base-Base interactions energy: -238.495
where: short stacking energy: -91.181
Base-Backbone interact. energy: 0.316
local terms energy: -109.959096
where:
bonds (distance) C4'-P energy: -21.875
bonds (distance) P-C4' energy: -28.121
flat angles C4'-P-C4' energy: -26.069
flat angles P-C4'-P energy: -12.265
tors. eta vs tors. theta energy: -21.630
Dist. restrs. and SS energy: 0.101 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -346.781616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.781616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.001379 (E_RNA)
where:
Base-Base interactions energy: -229.409
where: short stacking energy: -89.808
Base-Backbone interact. energy: -0.975
local terms energy: -116.617582
where:
bonds (distance) C4'-P energy: -19.477
bonds (distance) P-C4' energy: -27.292
flat angles C4'-P-C4' energy: -26.891
flat angles P-C4'-P energy: -16.508
tors. eta vs tors. theta energy: -26.449
Dist. restrs. and SS energy: 0.220 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -340.513387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.513387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.610112 (E_RNA)
where:
Base-Base interactions energy: -221.589
where: short stacking energy: -82.208
Base-Backbone interact. energy: -0.170
local terms energy: -118.851164
where:
bonds (distance) C4'-P energy: -15.562
bonds (distance) P-C4' energy: -29.753
flat angles C4'-P-C4' energy: -28.659
flat angles P-C4'-P energy: -18.108
tors. eta vs tors. theta energy: -26.769
Dist. restrs. and SS energy: 0.097 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -290.708885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.708885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.860289 (E_RNA)
where:
Base-Base interactions energy: -206.025
where: short stacking energy: -73.763
Base-Backbone interact. energy: -0.271
local terms energy: -84.564809
where:
bonds (distance) C4'-P energy: -10.737
bonds (distance) P-C4' energy: -21.307
flat angles C4'-P-C4' energy: -25.484
flat angles P-C4'-P energy: -12.432
tors. eta vs tors. theta energy: -14.605
Dist. restrs. and SS energy: 0.151 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -419.413014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.413014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.561827 (E_RNA)
where:
Base-Base interactions energy: -282.904
where: short stacking energy: -110.622
Base-Backbone interact. energy: -0.048
local terms energy: -136.609521
where:
bonds (distance) C4'-P energy: -21.224
bonds (distance) P-C4' energy: -30.531
flat angles C4'-P-C4' energy: -31.852
flat angles P-C4'-P energy: -19.645
tors. eta vs tors. theta energy: -33.359
Dist. restrs. and SS energy: 0.149 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -413.754688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.754688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.225100 (E_RNA)
where:
Base-Base interactions energy: -280.477
where: short stacking energy: -117.162
Base-Backbone interact. energy: -0.878
local terms energy: -132.870595
where:
bonds (distance) C4'-P energy: -31.358
bonds (distance) P-C4' energy: -23.558
flat angles C4'-P-C4' energy: -28.309
flat angles P-C4'-P energy: -15.414
tors. eta vs tors. theta energy: -34.232
Dist. restrs. and SS energy: 0.470 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -405.476752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.476752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.644375 (E_RNA)
where:
Base-Base interactions energy: -280.055
where: short stacking energy: -107.733
Base-Backbone interact. energy: -0.692
local terms energy: -124.897723
where:
bonds (distance) C4'-P energy: -28.150
bonds (distance) P-C4' energy: -22.509
flat angles C4'-P-C4' energy: -27.272
flat angles P-C4'-P energy: -17.386
tors. eta vs tors. theta energy: -29.581
Dist. restrs. and SS energy: 0.168 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -392.202928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.202928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.425563 (E_RNA)
where:
Base-Base interactions energy: -272.363
where: short stacking energy: -105.178
Base-Backbone interact. energy: -0.331
local terms energy: -119.731562
where:
bonds (distance) C4'-P energy: -22.156
bonds (distance) P-C4' energy: -28.754
flat angles C4'-P-C4' energy: -23.876
flat angles P-C4'-P energy: -12.362
tors. eta vs tors. theta energy: -32.584
Dist. restrs. and SS energy: 0.223 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -371.197013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.197013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.241896 (E_RNA)
where:
Base-Base interactions energy: -249.130
where: short stacking energy: -104.758
Base-Backbone interact. energy: -0.381
local terms energy: -121.731210
where:
bonds (distance) C4'-P energy: -25.251
bonds (distance) P-C4' energy: -22.049
flat angles C4'-P-C4' energy: -28.765
flat angles P-C4'-P energy: -15.280
tors. eta vs tors. theta energy: -30.386
Dist. restrs. and SS energy: 0.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -354.648024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.648024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.329145 (E_RNA)
where:
Base-Base interactions energy: -254.115
where: short stacking energy: -101.117
Base-Backbone interact. energy: 0.147
local terms energy: -101.361486
where:
bonds (distance) C4'-P energy: -18.737
bonds (distance) P-C4' energy: -19.435
flat angles C4'-P-C4' energy: -25.772
flat angles P-C4'-P energy: -11.688
tors. eta vs tors. theta energy: -25.730
Dist. restrs. and SS energy: 0.681 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -344.579642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.579642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.065040 (E_RNA)
where:
Base-Base interactions energy: -221.380
where: short stacking energy: -86.421
Base-Backbone interact. energy: -0.156
local terms energy: -123.529182
where:
bonds (distance) C4'-P energy: -26.645
bonds (distance) P-C4' energy: -24.324
flat angles C4'-P-C4' energy: -24.601
flat angles P-C4'-P energy: -18.657
tors. eta vs tors. theta energy: -29.302
Dist. restrs. and SS energy: 0.485 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -337.937192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.937192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.040566 (E_RNA)
where:
Base-Base interactions energy: -221.048
where: short stacking energy: -89.691
Base-Backbone interact. energy: -0.569
local terms energy: -116.422985
where:
bonds (distance) C4'-P energy: -22.149
bonds (distance) P-C4' energy: -22.831
flat angles C4'-P-C4' energy: -27.317
flat angles P-C4'-P energy: -21.782
tors. eta vs tors. theta energy: -22.343
Dist. restrs. and SS energy: 0.103 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -349.357886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.357886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.545881 (E_RNA)
where:
Base-Base interactions energy: -235.001
where: short stacking energy: -98.571
Base-Backbone interact. energy: -0.192
local terms energy: -114.352649
where:
bonds (distance) C4'-P energy: -19.129
bonds (distance) P-C4' energy: -28.741
flat angles C4'-P-C4' energy: -23.097
flat angles P-C4'-P energy: -16.741
tors. eta vs tors. theta energy: -26.644
Dist. restrs. and SS energy: 0.188 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -264.745250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.745250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.244677 (E_RNA)
where:
Base-Base interactions energy: -169.776
where: short stacking energy: -79.474
Base-Backbone interact. energy: 0.709
local terms energy: -101.177636
where:
bonds (distance) C4'-P energy: -23.045
bonds (distance) P-C4' energy: -23.709
flat angles C4'-P-C4' energy: -20.663
flat angles P-C4'-P energy: -16.165
tors. eta vs tors. theta energy: -17.595
Dist. restrs. and SS energy: 5.499 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -421.876137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.876137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.562259 (E_RNA)
where:
Base-Base interactions energy: -283.629
where: short stacking energy: -120.311
Base-Backbone interact. energy: -0.337
local terms energy: -138.596767
where:
bonds (distance) C4'-P energy: -25.438
bonds (distance) P-C4' energy: -27.327
flat angles C4'-P-C4' energy: -30.794
flat angles P-C4'-P energy: -21.720
tors. eta vs tors. theta energy: -33.317
Dist. restrs. and SS energy: 0.686 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -410.764153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.764153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.384625 (E_RNA)
where:
Base-Base interactions energy: -278.638
where: short stacking energy: -116.655
Base-Backbone interact. energy: -0.977
local terms energy: -131.770023
where:
bonds (distance) C4'-P energy: -23.951
bonds (distance) P-C4' energy: -23.409
flat angles C4'-P-C4' energy: -29.926
flat angles P-C4'-P energy: -20.900
tors. eta vs tors. theta energy: -33.584
Dist. restrs. and SS energy: 0.620 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -394.734841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.734841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.008745 (E_RNA)
where:
Base-Base interactions energy: -256.761
where: short stacking energy: -104.088
Base-Backbone interact. energy: -0.905
local terms energy: -137.342618
where:
bonds (distance) C4'-P energy: -28.273
bonds (distance) P-C4' energy: -28.549
flat angles C4'-P-C4' energy: -30.947
flat angles P-C4'-P energy: -17.067
tors. eta vs tors. theta energy: -32.506
Dist. restrs. and SS energy: 0.274 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -387.591378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.591378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.974556 (E_RNA)
where:
Base-Base interactions energy: -257.517
where: short stacking energy: -111.604
Base-Backbone interact. energy: -0.604
local terms energy: -129.854464
where:
bonds (distance) C4'-P energy: -25.920
bonds (distance) P-C4' energy: -29.468
flat angles C4'-P-C4' energy: -29.082
flat angles P-C4'-P energy: -15.852
tors. eta vs tors. theta energy: -29.532
Dist. restrs. and SS energy: 0.383 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -356.172467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.172467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.450802 (E_RNA)
where:
Base-Base interactions energy: -235.099
where: short stacking energy: -101.133
Base-Backbone interact. energy: -0.389
local terms energy: -120.962805
where:
bonds (distance) C4'-P energy: -23.163
bonds (distance) P-C4' energy: -24.325
flat angles C4'-P-C4' energy: -25.198
flat angles P-C4'-P energy: -18.194
tors. eta vs tors. theta energy: -30.083
Dist. restrs. and SS energy: 0.278 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -385.127113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.127113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.298679 (E_RNA)
where:
Base-Base interactions energy: -263.883
where: short stacking energy: -96.671
Base-Backbone interact. energy: -0.299
local terms energy: -121.116655
where:
bonds (distance) C4'-P energy: -23.540
bonds (distance) P-C4' energy: -27.655
flat angles C4'-P-C4' energy: -25.874
flat angles P-C4'-P energy: -14.837
tors. eta vs tors. theta energy: -29.211
Dist. restrs. and SS energy: 0.172 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -344.928826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.928826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.069562 (E_RNA)
where:
Base-Base interactions energy: -237.240
where: short stacking energy: -95.198
Base-Backbone interact. energy: -0.528
local terms energy: -107.301526
where:
bonds (distance) C4'-P energy: -25.194
bonds (distance) P-C4' energy: -25.667
flat angles C4'-P-C4' energy: -24.517
flat angles P-C4'-P energy: -8.994
tors. eta vs tors. theta energy: -22.930
Dist. restrs. and SS energy: 0.141 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -367.858511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.858511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.939286 (E_RNA)
where:
Base-Base interactions energy: -252.705
where: short stacking energy: -91.693
Base-Backbone interact. energy: -1.029
local terms energy: -114.205543
where:
bonds (distance) C4'-P energy: -19.434
bonds (distance) P-C4' energy: -24.216
flat angles C4'-P-C4' energy: -28.153
flat angles P-C4'-P energy: -19.460
tors. eta vs tors. theta energy: -22.943
Dist. restrs. and SS energy: 0.081 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -327.278873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.278873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.578119 (E_RNA)
where:
Base-Base interactions energy: -229.389
where: short stacking energy: -94.211
Base-Backbone interact. energy: 0.694
local terms energy: -98.883334
where:
bonds (distance) C4'-P energy: -13.485
bonds (distance) P-C4' energy: -18.530
flat angles C4'-P-C4' energy: -25.484
flat angles P-C4'-P energy: -17.220
tors. eta vs tors. theta energy: -24.164
Dist. restrs. and SS energy: 0.299 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -314.581190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.581190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.049994 (E_RNA)
where:
Base-Base interactions energy: -216.198
where: short stacking energy: -86.068
Base-Backbone interact. energy: -0.364
local terms energy: -98.488278
where:
bonds (distance) C4'-P energy: -21.733
bonds (distance) P-C4' energy: -23.093
flat angles C4'-P-C4' energy: -22.429
flat angles P-C4'-P energy: -12.618
tors. eta vs tors. theta energy: -18.615
Dist. restrs. and SS energy: 0.469 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -426.041131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.041131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.608119 (E_RNA)
where:
Base-Base interactions energy: -287.677
where: short stacking energy: -117.968
Base-Backbone interact. energy: -2.177
local terms energy: -136.753926
where:
bonds (distance) C4'-P energy: -22.856
bonds (distance) P-C4' energy: -29.728
flat angles C4'-P-C4' energy: -26.621
flat angles P-C4'-P energy: -20.988
tors. eta vs tors. theta energy: -36.561
Dist. restrs. and SS energy: 0.567 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -413.264258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.264258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.779953 (E_RNA)
where:
Base-Base interactions energy: -274.876
where: short stacking energy: -123.074
Base-Backbone interact. energy: -0.038
local terms energy: -138.865941
where:
bonds (distance) C4'-P energy: -28.341
bonds (distance) P-C4' energy: -28.963
flat angles C4'-P-C4' energy: -33.027
flat angles P-C4'-P energy: -15.890
tors. eta vs tors. theta energy: -32.645
Dist. restrs. and SS energy: 0.516 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -406.614484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.614484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.752891 (E_RNA)
where:
Base-Base interactions energy: -268.852
where: short stacking energy: -115.128
Base-Backbone interact. energy: 1.554
local terms energy: -139.454275
where:
bonds (distance) C4'-P energy: -26.113
bonds (distance) P-C4' energy: -29.099
flat angles C4'-P-C4' energy: -26.535
flat angles P-C4'-P energy: -21.456
tors. eta vs tors. theta energy: -36.252
Dist. restrs. and SS energy: 0.138 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -390.146338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.146338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.354680 (E_RNA)
where:
Base-Base interactions energy: -267.676
where: short stacking energy: -109.935
Base-Backbone interact. energy: -0.513
local terms energy: -122.165779
where:
bonds (distance) C4'-P energy: -26.730
bonds (distance) P-C4' energy: -26.365
flat angles C4'-P-C4' energy: -22.968
flat angles P-C4'-P energy: -13.242
tors. eta vs tors. theta energy: -32.862
Dist. restrs. and SS energy: 0.208 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -400.739271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.739271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.078355 (E_RNA)
where:
Base-Base interactions energy: -278.397
where: short stacking energy: -100.626
Base-Backbone interact. energy: -0.155
local terms energy: -122.526128
where:
bonds (distance) C4'-P energy: -24.931
bonds (distance) P-C4' energy: -24.103
flat angles C4'-P-C4' energy: -28.583
flat angles P-C4'-P energy: -18.014
tors. eta vs tors. theta energy: -26.896
Dist. restrs. and SS energy: 0.339 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -358.165835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.165835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.484492 (E_RNA)
where:
Base-Base interactions energy: -241.232
where: short stacking energy: -92.001
Base-Backbone interact. energy: -0.055
local terms energy: -117.197351
where:
bonds (distance) C4'-P energy: -24.690
bonds (distance) P-C4' energy: -24.787
flat angles C4'-P-C4' energy: -29.690
flat angles P-C4'-P energy: -11.597
tors. eta vs tors. theta energy: -26.433
Dist. restrs. and SS energy: 0.319 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -351.996589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.996589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.202831 (E_RNA)
where:
Base-Base interactions energy: -234.195
where: short stacking energy: -83.290
Base-Backbone interact. energy: -0.347
local terms energy: -117.660531
where:
bonds (distance) C4'-P energy: -21.731
bonds (distance) P-C4' energy: -27.372
flat angles C4'-P-C4' energy: -26.433
flat angles P-C4'-P energy: -20.946
tors. eta vs tors. theta energy: -21.180
Dist. restrs. and SS energy: 0.206 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -358.656641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.656641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.782469 (E_RNA)
where:
Base-Base interactions energy: -238.419
where: short stacking energy: -90.999
Base-Backbone interact. energy: 0.647
local terms energy: -121.011015
where:
bonds (distance) C4'-P energy: -23.836
bonds (distance) P-C4' energy: -24.393
flat angles C4'-P-C4' energy: -26.058
flat angles P-C4'-P energy: -16.626
tors. eta vs tors. theta energy: -30.099
Dist. restrs. and SS energy: 0.126 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -326.295546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.295546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.476082 (E_RNA)
where:
Base-Base interactions energy: -218.058
where: short stacking energy: -82.653
Base-Backbone interact. energy: -0.976
local terms energy: -107.442734
where:
bonds (distance) C4'-P energy: -19.776
bonds (distance) P-C4' energy: -23.700
flat angles C4'-P-C4' energy: -25.583
flat angles P-C4'-P energy: -14.603
tors. eta vs tors. theta energy: -23.781
Dist. restrs. and SS energy: 0.181 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -319.942400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.942400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.472846 (E_RNA)
where:
Base-Base interactions energy: -223.533
where: short stacking energy: -84.693
Base-Backbone interact. energy: -1.068
local terms energy: -95.871953
where:
bonds (distance) C4'-P energy: -12.978
bonds (distance) P-C4' energy: -21.547
flat angles C4'-P-C4' energy: -26.529
flat angles P-C4'-P energy: -9.700
tors. eta vs tors. theta energy: -25.118
Dist. restrs. and SS energy: 0.530 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -418.605142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.605142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.377795 (E_RNA)
where:
Base-Base interactions energy: -284.497
where: short stacking energy: -121.058
Base-Backbone interact. energy: 1.659
local terms energy: -136.539513
where:
bonds (distance) C4'-P energy: -27.626
bonds (distance) P-C4' energy: -25.426
flat angles C4'-P-C4' energy: -30.155
flat angles P-C4'-P energy: -20.303
tors. eta vs tors. theta energy: -33.029
Dist. restrs. and SS energy: 0.773 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -413.583423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.583423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.598403 (E_RNA)
where:
Base-Base interactions energy: -286.733
where: short stacking energy: -124.390
Base-Backbone interact. energy: -0.735
local terms energy: -126.130872
where:
bonds (distance) C4'-P energy: -23.674
bonds (distance) P-C4' energy: -24.982
flat angles C4'-P-C4' energy: -26.460
flat angles P-C4'-P energy: -16.547
tors. eta vs tors. theta energy: -34.468
Dist. restrs. and SS energy: 0.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -406.789903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.789903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.250685 (E_RNA)
where:
Base-Base interactions energy: -275.530
where: short stacking energy: -116.800
Base-Backbone interact. energy: 1.043
local terms energy: -132.763695
where:
bonds (distance) C4'-P energy: -26.569
bonds (distance) P-C4' energy: -28.705
flat angles C4'-P-C4' energy: -24.176
flat angles P-C4'-P energy: -18.189
tors. eta vs tors. theta energy: -35.125
Dist. restrs. and SS energy: 0.461 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -412.768909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.768909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.938557 (E_RNA)
where:
Base-Base interactions energy: -286.410
where: short stacking energy: -106.838
Base-Backbone interact. energy: -0.387
local terms energy: -126.141611
where:
bonds (distance) C4'-P energy: -25.842
bonds (distance) P-C4' energy: -26.932
flat angles C4'-P-C4' energy: -28.819
flat angles P-C4'-P energy: -18.465
tors. eta vs tors. theta energy: -26.083
Dist. restrs. and SS energy: 0.170 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -380.227202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.227202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.549771 (E_RNA)
where:
Base-Base interactions energy: -265.063
where: short stacking energy: -101.834
Base-Backbone interact. energy: -0.822
local terms energy: -114.664928
where:
bonds (distance) C4'-P energy: -24.050
bonds (distance) P-C4' energy: -23.507
flat angles C4'-P-C4' energy: -26.315
flat angles P-C4'-P energy: -14.920
tors. eta vs tors. theta energy: -25.873
Dist. restrs. and SS energy: 0.323 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -374.612091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.612091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.962290 (E_RNA)
where:
Base-Base interactions energy: -255.339
where: short stacking energy: -103.716
Base-Backbone interact. energy: -0.550
local terms energy: -119.073302
where:
bonds (distance) C4'-P energy: -23.557
bonds (distance) P-C4' energy: -22.216
flat angles C4'-P-C4' energy: -28.137
flat angles P-C4'-P energy: -19.450
tors. eta vs tors. theta energy: -25.714
Dist. restrs. and SS energy: 0.350 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -346.706113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.706113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.043408 (E_RNA)
where:
Base-Base interactions energy: -220.817
where: short stacking energy: -89.682
Base-Backbone interact. energy: -0.347
local terms energy: -125.879359
where:
bonds (distance) C4'-P energy: -28.752
bonds (distance) P-C4' energy: -28.026
flat angles C4'-P-C4' energy: -23.702
flat angles P-C4'-P energy: -16.248
tors. eta vs tors. theta energy: -29.151
Dist. restrs. and SS energy: 0.337 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -346.550182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.550182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.681285 (E_RNA)
where:
Base-Base interactions energy: -235.601
where: short stacking energy: -97.118
Base-Backbone interact. energy: -0.657
local terms energy: -110.422960
where:
bonds (distance) C4'-P energy: -17.990
bonds (distance) P-C4' energy: -25.389
flat angles C4'-P-C4' energy: -25.016
flat angles P-C4'-P energy: -13.801
tors. eta vs tors. theta energy: -28.227
Dist. restrs. and SS energy: 0.131 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -343.788174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.788174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.217164 (E_RNA)
where:
Base-Base interactions energy: -219.911
where: short stacking energy: -84.783
Base-Backbone interact. energy: -0.581
local terms energy: -123.725472
where:
bonds (distance) C4'-P energy: -25.245
bonds (distance) P-C4' energy: -24.781
flat angles C4'-P-C4' energy: -27.622
flat angles P-C4'-P energy: -17.033
tors. eta vs tors. theta energy: -29.043
Dist. restrs. and SS energy: 0.429 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -318.477922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.477922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.507443 (E_RNA)
where:
Base-Base interactions energy: -220.938
where: short stacking energy: -79.716
Base-Backbone interact. energy: 0.109
local terms energy: -97.678359
where:
bonds (distance) C4'-P energy: -20.867
bonds (distance) P-C4' energy: -24.495
flat angles C4'-P-C4' energy: -22.654
flat angles P-C4'-P energy: -13.601
tors. eta vs tors. theta energy: -16.062
Dist. restrs. and SS energy: 0.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -417.735924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.735924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.833633 (E_RNA)
where:
Base-Base interactions energy: -292.157
where: short stacking energy: -123.920
Base-Backbone interact. energy: 0.375
local terms energy: -126.052616
where:
bonds (distance) C4'-P energy: -18.937
bonds (distance) P-C4' energy: -28.040
flat angles C4'-P-C4' energy: -25.464
flat angles P-C4'-P energy: -21.905
tors. eta vs tors. theta energy: -31.706
Dist. restrs. and SS energy: 0.098 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -416.161433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.161433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.356428 (E_RNA)
where:
Base-Base interactions energy: -275.579
where: short stacking energy: -115.518
Base-Backbone interact. energy: -0.315
local terms energy: -140.462163
where:
bonds (distance) C4'-P energy: -28.310
bonds (distance) P-C4' energy: -26.888
flat angles C4'-P-C4' energy: -29.737
flat angles P-C4'-P energy: -21.008
tors. eta vs tors. theta energy: -34.519
Dist. restrs. and SS energy: 0.195 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -416.158559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.158559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.227962 (E_RNA)
where:
Base-Base interactions energy: -284.795
where: short stacking energy: -105.797
Base-Backbone interact. energy: -0.383
local terms energy: -131.050416
where:
bonds (distance) C4'-P energy: -29.277
bonds (distance) P-C4' energy: -29.760
flat angles C4'-P-C4' energy: -26.776
flat angles P-C4'-P energy: -17.650
tors. eta vs tors. theta energy: -27.588
Dist. restrs. and SS energy: 0.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -391.595495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.595495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.482166 (E_RNA)
where:
Base-Base interactions energy: -257.805
where: short stacking energy: -100.771
Base-Backbone interact. energy: -0.793
local terms energy: -133.883703
where:
bonds (distance) C4'-P energy: -31.206
bonds (distance) P-C4' energy: -27.240
flat angles C4'-P-C4' energy: -24.530
flat angles P-C4'-P energy: -19.844
tors. eta vs tors. theta energy: -31.064
Dist. restrs. and SS energy: 0.887 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -379.998612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.998612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.109830 (E_RNA)
where:
Base-Base interactions energy: -264.010
where: short stacking energy: -109.637
Base-Backbone interact. energy: 1.189
local terms energy: -117.288235
where:
bonds (distance) C4'-P energy: -18.437
bonds (distance) P-C4' energy: -28.690
flat angles C4'-P-C4' energy: -23.114
flat angles P-C4'-P energy: -17.900
tors. eta vs tors. theta energy: -29.147
Dist. restrs. and SS energy: 0.111 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -367.974318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.974318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.023753 (E_RNA)
where:
Base-Base interactions energy: -247.430
where: short stacking energy: -106.358
Base-Backbone interact. energy: -0.181
local terms energy: -120.413654
where:
bonds (distance) C4'-P energy: -23.969
bonds (distance) P-C4' energy: -26.697
flat angles C4'-P-C4' energy: -22.013
flat angles P-C4'-P energy: -19.553
tors. eta vs tors. theta energy: -28.182
Dist. restrs. and SS energy: 0.049 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -347.898661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.898661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.028872 (E_RNA)
where:
Base-Base interactions energy: -228.826
where: short stacking energy: -80.839
Base-Backbone interact. energy: 3.580
local terms energy: -122.782555
where:
bonds (distance) C4'-P energy: -27.996
bonds (distance) P-C4' energy: -28.656
flat angles C4'-P-C4' energy: -25.297
flat angles P-C4'-P energy: -15.201
tors. eta vs tors. theta energy: -25.633
Dist. restrs. and SS energy: 0.130 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -345.958209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.958209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.314270 (E_RNA)
where:
Base-Base interactions energy: -240.220
where: short stacking energy: -84.276
Base-Backbone interact. energy: -0.160
local terms energy: -105.934264
where:
bonds (distance) C4'-P energy: -20.993
bonds (distance) P-C4' energy: -27.316
flat angles C4'-P-C4' energy: -26.486
flat angles P-C4'-P energy: -12.149
tors. eta vs tors. theta energy: -18.991
Dist. restrs. and SS energy: 0.356 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -353.936862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.936862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.304228 (E_RNA)
where:
Base-Base interactions energy: -247.097
where: short stacking energy: -93.201
Base-Backbone interact. energy: -0.348
local terms energy: -106.859506
where:
bonds (distance) C4'-P energy: -21.317
bonds (distance) P-C4' energy: -26.600
flat angles C4'-P-C4' energy: -27.954
flat angles P-C4'-P energy: -12.706
tors. eta vs tors. theta energy: -18.283
Dist. restrs. and SS energy: 0.367 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -276.681091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.681091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.883015 (E_RNA)
where:
Base-Base interactions energy: -188.900
where: short stacking energy: -74.452
Base-Backbone interact. energy: 0.858
local terms energy: -91.841610
where:
bonds (distance) C4'-P energy: -23.736
bonds (distance) P-C4' energy: -26.787
flat angles C4'-P-C4' energy: -21.132
flat angles P-C4'-P energy: -5.779
tors. eta vs tors. theta energy: -14.408
Dist. restrs. and SS energy: 3.202 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -423.440447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.440447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.463409 (E_RNA)
where:
Base-Base interactions energy: -291.025
where: short stacking energy: -126.539
Base-Backbone interact. energy: -1.756
local terms energy: -130.683154
where:
bonds (distance) C4'-P energy: -21.245
bonds (distance) P-C4' energy: -27.203
flat angles C4'-P-C4' energy: -27.447
flat angles P-C4'-P energy: -19.000
tors. eta vs tors. theta energy: -35.788
Dist. restrs. and SS energy: 0.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -422.279878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.279878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.396600 (E_RNA)
where:
Base-Base interactions energy: -286.103
where: short stacking energy: -101.329
Base-Backbone interact. energy: -0.273
local terms energy: -136.021118
where:
bonds (distance) C4'-P energy: -26.752
bonds (distance) P-C4' energy: -28.261
flat angles C4'-P-C4' energy: -27.426
flat angles P-C4'-P energy: -21.920
tors. eta vs tors. theta energy: -31.662
Dist. restrs. and SS energy: 0.117 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -407.983310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.983310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.289844 (E_RNA)
where:
Base-Base interactions energy: -273.913
where: short stacking energy: -117.883
Base-Backbone interact. energy: -1.457
local terms energy: -132.920129
where:
bonds (distance) C4'-P energy: -31.921
bonds (distance) P-C4' energy: -18.959
flat angles C4'-P-C4' energy: -27.039
flat angles P-C4'-P energy: -21.190
tors. eta vs tors. theta energy: -33.811
Dist. restrs. and SS energy: 0.307 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -388.815837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.815837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.202475 (E_RNA)
where:
Base-Base interactions energy: -266.461
where: short stacking energy: -104.638
Base-Backbone interact. energy: -0.159
local terms energy: -122.582002
where:
bonds (distance) C4'-P energy: -25.465
bonds (distance) P-C4' energy: -23.954
flat angles C4'-P-C4' energy: -29.216
flat angles P-C4'-P energy: -17.050
tors. eta vs tors. theta energy: -26.898
Dist. restrs. and SS energy: 0.387 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -386.236055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.236055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.402833 (E_RNA)
where:
Base-Base interactions energy: -254.369
where: short stacking energy: -108.081
Base-Backbone interact. energy: -0.580
local terms energy: -131.453217
where:
bonds (distance) C4'-P energy: -28.302
bonds (distance) P-C4' energy: -26.311
flat angles C4'-P-C4' energy: -28.054
flat angles P-C4'-P energy: -15.671
tors. eta vs tors. theta energy: -33.115
Dist. restrs. and SS energy: 0.167 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -344.512049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.512049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.580487 (E_RNA)
where:
Base-Base interactions energy: -240.739
where: short stacking energy: -97.588
Base-Backbone interact. energy: -1.546
local terms energy: -102.295426
where:
bonds (distance) C4'-P energy: -20.193
bonds (distance) P-C4' energy: -21.650
flat angles C4'-P-C4' energy: -24.464
flat angles P-C4'-P energy: -13.116
tors. eta vs tors. theta energy: -22.872
Dist. restrs. and SS energy: 0.068 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -360.417592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.417592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.706306 (E_RNA)
where:
Base-Base interactions energy: -231.236
where: short stacking energy: -107.170
Base-Backbone interact. energy: -0.343
local terms energy: -129.127528
where:
bonds (distance) C4'-P energy: -28.029
bonds (distance) P-C4' energy: -25.945
flat angles C4'-P-C4' energy: -25.426
flat angles P-C4'-P energy: -18.077
tors. eta vs tors. theta energy: -31.651
Dist. restrs. and SS energy: 0.289 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -325.343037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.343037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.843627 (E_RNA)
where:
Base-Base interactions energy: -216.167
where: short stacking energy: -85.032
Base-Backbone interact. energy: -0.137
local terms energy: -109.539283
where:
bonds (distance) C4'-P energy: -24.032
bonds (distance) P-C4' energy: -24.596
flat angles C4'-P-C4' energy: -25.131
flat angles P-C4'-P energy: -17.801
tors. eta vs tors. theta energy: -17.979
Dist. restrs. and SS energy: 0.501 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -357.774293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.774293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.943971 (E_RNA)
where:
Base-Base interactions energy: -245.940
where: short stacking energy: -94.587
Base-Backbone interact. energy: -0.255
local terms energy: -111.749309
where:
bonds (distance) C4'-P energy: -19.818
bonds (distance) P-C4' energy: -23.009
flat angles C4'-P-C4' energy: -24.539
flat angles P-C4'-P energy: -16.714
tors. eta vs tors. theta energy: -27.669
Dist. restrs. and SS energy: 0.170 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -284.631810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.631810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.399379 (E_RNA)
where:
Base-Base interactions energy: -190.984
where: short stacking energy: -78.252
Base-Backbone interact. energy: 0.247
local terms energy: -98.662185
where:
bonds (distance) C4'-P energy: -24.912
bonds (distance) P-C4' energy: -24.398
flat angles C4'-P-C4' energy: -26.994
flat angles P-C4'-P energy: -7.121
tors. eta vs tors. theta energy: -15.236
Dist. restrs. and SS energy: 4.768 (S_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: 118
Temperature: 0.900000
Total energy: -433.502781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.502781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.171869 (E_RNA)
where:
Base-Base interactions energy: -298.582
where: short stacking energy: -116.070
Base-Backbone interact. energy: -0.253
local terms energy: -135.337646
where:
bonds (distance) C4'-P energy: -29.119
bonds (distance) P-C4' energy: -29.504
flat angles C4'-P-C4' energy: -29.400
flat angles P-C4'-P energy: -16.912
tors. eta vs tors. theta energy: -30.402
Dist. restrs. and SS energy: 0.669 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -412.769506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.769506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.095018 (E_RNA)
where:
Base-Base interactions energy: -274.664
where: short stacking energy: -111.820
Base-Backbone interact. energy: -1.990
local terms energy: -136.440909
where:
bonds (distance) C4'-P energy: -29.836
bonds (distance) P-C4' energy: -30.596
flat angles C4'-P-C4' energy: -26.549
flat angles P-C4'-P energy: -16.931
tors. eta vs tors. theta energy: -32.529
Dist. restrs. and SS energy: 0.326 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -402.113291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.113291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.203311 (E_RNA)
where:
Base-Base interactions energy: -278.941
where: short stacking energy: -109.708
Base-Backbone interact. energy: -2.441
local terms energy: -120.820985
where:
bonds (distance) C4'-P energy: -26.482
bonds (distance) P-C4' energy: -26.377
flat angles C4'-P-C4' energy: -22.239
flat angles P-C4'-P energy: -16.116
tors. eta vs tors. theta energy: -29.608
Dist. restrs. and SS energy: 0.090 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -389.854378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.854378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.249474 (E_RNA)
where:
Base-Base interactions energy: -260.731
where: short stacking energy: -104.771
Base-Backbone interact. energy: -0.157
local terms energy: -129.361592
where:
bonds (distance) C4'-P energy: -23.863
bonds (distance) P-C4' energy: -29.333
flat angles C4'-P-C4' energy: -31.162
flat angles P-C4'-P energy: -17.445
tors. eta vs tors. theta energy: -27.558
Dist. restrs. and SS energy: 0.395 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -386.822341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.822341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.214676 (E_RNA)
where:
Base-Base interactions energy: -267.694
where: short stacking energy: -112.090
Base-Backbone interact. energy: -2.658
local terms energy: -116.863032
where:
bonds (distance) C4'-P energy: -23.443
bonds (distance) P-C4' energy: -19.558
flat angles C4'-P-C4' energy: -24.749
flat angles P-C4'-P energy: -12.152
tors. eta vs tors. theta energy: -36.960
Dist. restrs. and SS energy: 0.392 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -346.710780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.710780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.017383 (E_RNA)
where:
Base-Base interactions energy: -233.065
where: short stacking energy: -89.271
Base-Backbone interact. energy: -0.423
local terms energy: -113.528635
where:
bonds (distance) C4'-P energy: -26.903
bonds (distance) P-C4' energy: -21.139
flat angles C4'-P-C4' energy: -20.631
flat angles P-C4'-P energy: -17.569
tors. eta vs tors. theta energy: -27.287
Dist. restrs. and SS energy: 0.307 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -343.919608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.919608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.316224 (E_RNA)
where:
Base-Base interactions energy: -239.810
where: short stacking energy: -101.776
Base-Backbone interact. energy: -0.362
local terms energy: -104.144306
where:
bonds (distance) C4'-P energy: -23.901
bonds (distance) P-C4' energy: -26.467
flat angles C4'-P-C4' energy: -19.698
flat angles P-C4'-P energy: -4.532
tors. eta vs tors. theta energy: -29.547
Dist. restrs. and SS energy: 0.397 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -323.997216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.997216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.228976 (E_RNA)
where:
Base-Base interactions energy: -215.067
where: short stacking energy: -88.628
Base-Backbone interact. energy: -1.721
local terms energy: -107.440073
where:
bonds (distance) C4'-P energy: -23.497
bonds (distance) P-C4' energy: -27.180
flat angles C4'-P-C4' energy: -24.935
flat angles P-C4'-P energy: -13.230
tors. eta vs tors. theta energy: -18.598
Dist. restrs. and SS energy: 0.232 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -324.898123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.898123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.240792 (E_RNA)
where:
Base-Base interactions energy: -215.664
where: short stacking energy: -85.672
Base-Backbone interact. energy: -0.885
local terms energy: -108.691134
where:
bonds (distance) C4'-P energy: -25.807
bonds (distance) P-C4' energy: -22.386
flat angles C4'-P-C4' energy: -21.828
flat angles P-C4'-P energy: -12.290
tors. eta vs tors. theta energy: -26.380
Dist. restrs. and SS energy: 0.343 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -303.075554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.075554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.690246 (E_RNA)
where:
Base-Base interactions energy: -209.383
where: short stacking energy: -77.980
Base-Backbone interact. energy: 2.433
local terms energy: -96.740133
where:
bonds (distance) C4'-P energy: -16.165
bonds (distance) P-C4' energy: -24.478
flat angles C4'-P-C4' energy: -21.774
flat angles P-C4'-P energy: -13.425
tors. eta vs tors. theta energy: -20.898
Dist. restrs. and SS energy: 0.615 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -446.790444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.790444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.021957 (E_RNA)
where:
Base-Base interactions energy: -313.074
where: short stacking energy: -116.775
Base-Backbone interact. energy: -1.073
local terms energy: -132.874729
where:
bonds (distance) C4'-P energy: -26.225
bonds (distance) P-C4' energy: -26.938
flat angles C4'-P-C4' energy: -26.053
flat angles P-C4'-P energy: -19.976
tors. eta vs tors. theta energy: -33.683
Dist. restrs. and SS energy: 0.232 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -411.087894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.087894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.350184 (E_RNA)
where:
Base-Base interactions energy: -279.016
where: short stacking energy: -117.337
Base-Backbone interact. energy: -0.157
local terms energy: -132.177330
where:
bonds (distance) C4'-P energy: -20.157
bonds (distance) P-C4' energy: -28.218
flat angles C4'-P-C4' energy: -32.929
flat angles P-C4'-P energy: -16.932
tors. eta vs tors. theta energy: -33.942
Dist. restrs. and SS energy: 0.262 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -413.311403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.311403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.035508 (E_RNA)
where:
Base-Base interactions energy: -278.268
where: short stacking energy: -112.738
Base-Backbone interact. energy: 1.285
local terms energy: -137.053063
where:
bonds (distance) C4'-P energy: -22.379
bonds (distance) P-C4' energy: -30.363
flat angles C4'-P-C4' energy: -29.347
flat angles P-C4'-P energy: -17.839
tors. eta vs tors. theta energy: -37.126
Dist. restrs. and SS energy: 0.724 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -398.869010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.869010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.131738 (E_RNA)
where:
Base-Base interactions energy: -262.192
where: short stacking energy: -114.493
Base-Backbone interact. energy: -0.318
local terms energy: -136.621829
where:
bonds (distance) C4'-P energy: -29.900
bonds (distance) P-C4' energy: -27.039
flat angles C4'-P-C4' energy: -25.086
flat angles P-C4'-P energy: -19.579
tors. eta vs tors. theta energy: -35.018
Dist. restrs. and SS energy: 0.263 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -387.949211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.949211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.139919 (E_RNA)
where:
Base-Base interactions energy: -264.682
where: short stacking energy: -102.306
Base-Backbone interact. energy: -2.327
local terms energy: -121.131268
where:
bonds (distance) C4'-P energy: -23.203
bonds (distance) P-C4' energy: -23.841
flat angles C4'-P-C4' energy: -29.093
flat angles P-C4'-P energy: -21.678
tors. eta vs tors. theta energy: -23.315
Dist. restrs. and SS energy: 0.191 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -377.774407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.774407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.224168 (E_RNA)
where:
Base-Base interactions energy: -252.111
where: short stacking energy: -98.396
Base-Backbone interact. energy: -1.878
local terms energy: -124.235106
where:
bonds (distance) C4'-P energy: -26.583
bonds (distance) P-C4' energy: -29.080
flat angles C4'-P-C4' energy: -23.316
flat angles P-C4'-P energy: -17.209
tors. eta vs tors. theta energy: -28.047
Dist. restrs. and SS energy: 0.450 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -331.377947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.377947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.709618 (E_RNA)
where:
Base-Base interactions energy: -223.434
where: short stacking energy: -85.271
Base-Backbone interact. energy: 0.246
local terms energy: -108.521254
where:
bonds (distance) C4'-P energy: -27.666
bonds (distance) P-C4' energy: -24.413
flat angles C4'-P-C4' energy: -20.534
flat angles P-C4'-P energy: -14.492
tors. eta vs tors. theta energy: -21.416
Dist. restrs. and SS energy: 0.332 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -330.574315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.574315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.190289 (E_RNA)
where:
Base-Base interactions energy: -229.111
where: short stacking energy: -92.906
Base-Backbone interact. energy: -0.561
local terms energy: -101.518596
where:
bonds (distance) C4'-P energy: -23.284
bonds (distance) P-C4' energy: -15.456
flat angles C4'-P-C4' energy: -24.591
flat angles P-C4'-P energy: -15.353
tors. eta vs tors. theta energy: -22.835
Dist. restrs. and SS energy: 0.616 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -310.697034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.697034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.237320 (E_RNA)
where:
Base-Base interactions energy: -207.570
where: short stacking energy: -76.396
Base-Backbone interact. energy: 0.696
local terms energy: -104.363451
where:
bonds (distance) C4'-P energy: -21.013
bonds (distance) P-C4' energy: -29.098
flat angles C4'-P-C4' energy: -22.987
flat angles P-C4'-P energy: -13.446
tors. eta vs tors. theta energy: -17.819
Dist. restrs. and SS energy: 0.540 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -284.865101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.865101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.816971 (E_RNA)
where:
Base-Base interactions energy: -186.230
where: short stacking energy: -72.026
Base-Backbone interact. energy: -0.066
local terms energy: -100.520382
where:
bonds (distance) C4'-P energy: -22.744
bonds (distance) P-C4' energy: -23.229
flat angles C4'-P-C4' energy: -23.056
flat angles P-C4'-P energy: -10.178
tors. eta vs tors. theta energy: -21.313
Dist. restrs. and SS energy: 1.952 (S_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: 120
Temperature: 0.900000
Total energy: -431.838056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.838056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.078429 (E_RNA)
where:
Base-Base interactions energy: -293.065
where: short stacking energy: -107.838
Base-Backbone interact. energy: -0.109
local terms energy: -138.904420
where:
bonds (distance) C4'-P energy: -27.869
bonds (distance) P-C4' energy: -28.925
flat angles C4'-P-C4' energy: -26.556
flat angles P-C4'-P energy: -20.305
tors. eta vs tors. theta energy: -35.249
Dist. restrs. and SS energy: 0.240 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -399.747771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.747771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.044284 (E_RNA)
where:
Base-Base interactions energy: -270.290
where: short stacking energy: -108.785
Base-Backbone interact. energy: -0.009
local terms energy: -129.744992
where:
bonds (distance) C4'-P energy: -30.189
bonds (distance) P-C4' energy: -21.064
flat angles C4'-P-C4' energy: -25.029
flat angles P-C4'-P energy: -21.439
tors. eta vs tors. theta energy: -32.024
Dist. restrs. and SS energy: 0.297 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -402.776598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.776598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.020949 (E_RNA)
where:
Base-Base interactions energy: -270.186
where: short stacking energy: -105.568
Base-Backbone interact. energy: -0.201
local terms energy: -132.633915
where:
bonds (distance) C4'-P energy: -24.473
bonds (distance) P-C4' energy: -30.287
flat angles C4'-P-C4' energy: -25.303
flat angles P-C4'-P energy: -17.699
tors. eta vs tors. theta energy: -34.872
Dist. restrs. and SS energy: 0.244 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -376.856869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.856869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.171774 (E_RNA)
where:
Base-Base interactions energy: -256.177
where: short stacking energy: -109.278
Base-Backbone interact. energy: -2.129
local terms energy: -118.865963
where:
bonds (distance) C4'-P energy: -24.569
bonds (distance) P-C4' energy: -26.707
flat angles C4'-P-C4' energy: -28.647
flat angles P-C4'-P energy: -11.661
tors. eta vs tors. theta energy: -27.282
Dist. restrs. and SS energy: 0.315 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -383.424790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.424790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.986884 (E_RNA)
where:
Base-Base interactions energy: -260.419
where: short stacking energy: -103.202
Base-Backbone interact. energy: -1.003
local terms energy: -122.564539
where:
bonds (distance) C4'-P energy: -28.111
bonds (distance) P-C4' energy: -21.956
flat angles C4'-P-C4' energy: -23.867
flat angles P-C4'-P energy: -16.735
tors. eta vs tors. theta energy: -31.895
Dist. restrs. and SS energy: 0.562 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -380.232111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.232111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.540186 (E_RNA)
where:
Base-Base interactions energy: -263.888
where: short stacking energy: -100.010
Base-Backbone interact. energy: 0.313
local terms energy: -116.965076
where:
bonds (distance) C4'-P energy: -23.698
bonds (distance) P-C4' energy: -21.709
flat angles C4'-P-C4' energy: -30.127
flat angles P-C4'-P energy: -13.650
tors. eta vs tors. theta energy: -27.781
Dist. restrs. and SS energy: 0.308 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -352.919885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.919885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.963686 (E_RNA)
where:
Base-Base interactions energy: -237.412
where: short stacking energy: -99.521
Base-Backbone interact. energy: -0.764
local terms energy: -114.788083
where:
bonds (distance) C4'-P energy: -21.158
bonds (distance) P-C4' energy: -28.100
flat angles C4'-P-C4' energy: -25.499
flat angles P-C4'-P energy: -20.209
tors. eta vs tors. theta energy: -19.822
Dist. restrs. and SS energy: 0.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -339.432940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.432940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.842296 (E_RNA)
where:
Base-Base interactions energy: -223.217
where: short stacking energy: -82.282
Base-Backbone interact. energy: -0.281
local terms energy: -116.344764
where:
bonds (distance) C4'-P energy: -24.299
bonds (distance) P-C4' energy: -29.772
flat angles C4'-P-C4' energy: -25.942
flat angles P-C4'-P energy: -14.976
tors. eta vs tors. theta energy: -21.357
Dist. restrs. and SS energy: 0.409 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -328.269767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.269767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.053049 (E_RNA)
where:
Base-Base interactions energy: -212.951
where: short stacking energy: -85.098
Base-Backbone interact. energy: -0.307
local terms energy: -115.794830
where:
bonds (distance) C4'-P energy: -27.491
bonds (distance) P-C4' energy: -25.673
flat angles C4'-P-C4' energy: -25.028
flat angles P-C4'-P energy: -15.605
tors. eta vs tors. theta energy: -21.998
Dist. restrs. and SS energy: 0.783 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -337.557141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.557141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.742836 (E_RNA)
where:
Base-Base interactions energy: -229.157
where: short stacking energy: -89.245
Base-Backbone interact. energy: -0.103
local terms energy: -108.482763
where:
bonds (distance) C4'-P energy: -19.530
bonds (distance) P-C4' energy: -23.469
flat angles C4'-P-C4' energy: -25.804
flat angles P-C4'-P energy: -15.372
tors. eta vs tors. theta energy: -24.308
Dist. restrs. and SS energy: 0.186 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -433.693910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.693910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.849485 (E_RNA)
where:
Base-Base interactions energy: -297.162
where: short stacking energy: -114.007
Base-Backbone interact. energy: -0.490
local terms energy: -136.198120
where:
bonds (distance) C4'-P energy: -26.460
bonds (distance) P-C4' energy: -30.037
flat angles C4'-P-C4' energy: -30.330
flat angles P-C4'-P energy: -18.865
tors. eta vs tors. theta energy: -30.506
Dist. restrs. and SS energy: 0.156 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -415.884695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.884695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.594818 (E_RNA)
where:
Base-Base interactions energy: -282.499
where: short stacking energy: -103.703
Base-Backbone interact. energy: -0.156
local terms energy: -133.939839
where:
bonds (distance) C4'-P energy: -22.927
bonds (distance) P-C4' energy: -27.123
flat angles C4'-P-C4' energy: -31.709
flat angles P-C4'-P energy: -19.728
tors. eta vs tors. theta energy: -32.453
Dist. restrs. and SS energy: 0.710 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -410.953736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.953736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.307445 (E_RNA)
where:
Base-Base interactions energy: -273.091
where: short stacking energy: -111.629
Base-Backbone interact. energy: 0.387
local terms energy: -138.603321
where:
bonds (distance) C4'-P energy: -29.338
bonds (distance) P-C4' energy: -30.943
flat angles C4'-P-C4' energy: -30.451
flat angles P-C4'-P energy: -11.854
tors. eta vs tors. theta energy: -36.018
Dist. restrs. and SS energy: 0.354 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -378.966889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.966889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.334958 (E_RNA)
where:
Base-Base interactions energy: -252.855
where: short stacking energy: -99.693
Base-Backbone interact. energy: 1.758
local terms energy: -128.237459
where:
bonds (distance) C4'-P energy: -28.956
bonds (distance) P-C4' energy: -30.453
flat angles C4'-P-C4' energy: -28.001
flat angles P-C4'-P energy: -13.501
tors. eta vs tors. theta energy: -27.326
Dist. restrs. and SS energy: 0.368 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -372.117251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.117251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.505591 (E_RNA)
where:
Base-Base interactions energy: -241.310
where: short stacking energy: -102.680
Base-Backbone interact. energy: -0.684
local terms energy: -130.511772
where:
bonds (distance) C4'-P energy: -25.716
bonds (distance) P-C4' energy: -26.514
flat angles C4'-P-C4' energy: -22.763
flat angles P-C4'-P energy: -18.135
tors. eta vs tors. theta energy: -37.384
Dist. restrs. and SS energy: 0.388 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -373.328521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.328521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.656169 (E_RNA)
where:
Base-Base interactions energy: -249.100
where: short stacking energy: -89.362
Base-Backbone interact. energy: -0.900
local terms energy: -123.656228
where:
bonds (distance) C4'-P energy: -25.388
bonds (distance) P-C4' energy: -26.013
flat angles C4'-P-C4' energy: -27.762
flat angles P-C4'-P energy: -18.631
tors. eta vs tors. theta energy: -25.862
Dist. restrs. and SS energy: 0.328 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -354.851705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.851705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.386116 (E_RNA)
where:
Base-Base interactions energy: -239.090
where: short stacking energy: -101.364
Base-Backbone interact. energy: 0.967
local terms energy: -117.263358
where:
bonds (distance) C4'-P energy: -27.863
bonds (distance) P-C4' energy: -17.210
flat angles C4'-P-C4' energy: -27.099
flat angles P-C4'-P energy: -14.509
tors. eta vs tors. theta energy: -30.582
Dist. restrs. and SS energy: 0.534 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -342.507936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.507936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.913247 (E_RNA)
where:
Base-Base interactions energy: -226.322
where: short stacking energy: -86.506
Base-Backbone interact. energy: 1.752
local terms energy: -118.342861
where:
bonds (distance) C4'-P energy: -29.177
bonds (distance) P-C4' energy: -23.341
flat angles C4'-P-C4' energy: -27.397
flat angles P-C4'-P energy: -15.484
tors. eta vs tors. theta energy: -22.944
Dist. restrs. and SS energy: 0.405 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -327.613574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.613574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.900912 (E_RNA)
where:
Base-Base interactions energy: -221.020
where: short stacking energy: -88.984
Base-Backbone interact. energy: -0.317
local terms energy: -106.564473
where:
bonds (distance) C4'-P energy: -19.472
bonds (distance) P-C4' energy: -19.753
flat angles C4'-P-C4' energy: -25.301
flat angles P-C4'-P energy: -18.688
tors. eta vs tors. theta energy: -23.351
Dist. restrs. and SS energy: 0.287 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -306.545968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.545968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.100869 (E_RNA)
where:
Base-Base interactions energy: -202.725
where: short stacking energy: -79.825
Base-Backbone interact. energy: 1.866
local terms energy: -106.241880
where:
bonds (distance) C4'-P energy: -22.038
bonds (distance) P-C4' energy: -24.064
flat angles C4'-P-C4' energy: -25.075
flat angles P-C4'-P energy: -11.606
tors. eta vs tors. theta energy: -23.458
Dist. restrs. and SS energy: 0.555 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -423.504178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.504178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.519932 (E_RNA)
where:
Base-Base interactions energy: -285.044
where: short stacking energy: -120.132
Base-Backbone interact. energy: -1.985
local terms energy: -136.490933
where:
bonds (distance) C4'-P energy: -24.068
bonds (distance) P-C4' energy: -26.743
flat angles C4'-P-C4' energy: -27.815
flat angles P-C4'-P energy: -22.328
tors. eta vs tors. theta energy: -35.538
Dist. restrs. and SS energy: 0.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -421.577209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.577209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.794881 (E_RNA)
where:
Base-Base interactions energy: -289.070
where: short stacking energy: -111.234
Base-Backbone interact. energy: -0.526
local terms energy: -132.198770
where:
bonds (distance) C4'-P energy: -31.743
bonds (distance) P-C4' energy: -26.315
flat angles C4'-P-C4' energy: -25.275
flat angles P-C4'-P energy: -14.851
tors. eta vs tors. theta energy: -34.014
Dist. restrs. and SS energy: 0.218 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -388.699045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.699045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.739688 (E_RNA)
where:
Base-Base interactions energy: -253.653
where: short stacking energy: -108.120
Base-Backbone interact. energy: -1.344
local terms energy: -133.742863
where:
bonds (distance) C4'-P energy: -27.473
bonds (distance) P-C4' energy: -26.603
flat angles C4'-P-C4' energy: -27.445
flat angles P-C4'-P energy: -22.380
tors. eta vs tors. theta energy: -29.842
Dist. restrs. and SS energy: 0.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -400.769759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.769759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.991933 (E_RNA)
where:
Base-Base interactions energy: -263.921
where: short stacking energy: -104.462
Base-Backbone interact. energy: -0.843
local terms energy: -136.227632
where:
bonds (distance) C4'-P energy: -26.109
bonds (distance) P-C4' energy: -29.912
flat angles C4'-P-C4' energy: -30.237
flat angles P-C4'-P energy: -13.486
tors. eta vs tors. theta energy: -36.483
Dist. restrs. and SS energy: 0.222 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -381.179432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.179432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.371619 (E_RNA)
where:
Base-Base interactions energy: -263.560
where: short stacking energy: -108.972
Base-Backbone interact. energy: 0.097
local terms energy: -117.908005
where:
bonds (distance) C4'-P energy: -17.021
bonds (distance) P-C4' energy: -27.245
flat angles C4'-P-C4' energy: -29.476
flat angles P-C4'-P energy: -15.197
tors. eta vs tors. theta energy: -28.970
Dist. restrs. and SS energy: 0.192 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -364.759511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.759511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.967066 (E_RNA)
where:
Base-Base interactions energy: -242.331
where: short stacking energy: -100.078
Base-Backbone interact. energy: -0.759
local terms energy: -121.876763
where:
bonds (distance) C4'-P energy: -22.236
bonds (distance) P-C4' energy: -28.093
flat angles C4'-P-C4' energy: -28.779
flat angles P-C4'-P energy: -16.274
tors. eta vs tors. theta energy: -26.495
Dist. restrs. and SS energy: 0.208 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -349.368944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.368944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.584230 (E_RNA)
where:
Base-Base interactions energy: -244.053
where: short stacking energy: -95.849
Base-Backbone interact. energy: 1.910
local terms energy: -107.441641
where:
bonds (distance) C4'-P energy: -19.365
bonds (distance) P-C4' energy: -23.449
flat angles C4'-P-C4' energy: -24.640
flat angles P-C4'-P energy: -13.213
tors. eta vs tors. theta energy: -26.774
Dist. restrs. and SS energy: 0.215 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -341.742086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.742086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.212673 (E_RNA)
where:
Base-Base interactions energy: -236.336
where: short stacking energy: -91.573
Base-Backbone interact. energy: 2.837
local terms energy: -108.714539
where:
bonds (distance) C4'-P energy: -23.691
bonds (distance) P-C4' energy: -23.034
flat angles C4'-P-C4' energy: -22.213
flat angles P-C4'-P energy: -11.926
tors. eta vs tors. theta energy: -27.850
Dist. restrs. and SS energy: 0.471 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -336.030900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.030900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.397731 (E_RNA)
where:
Base-Base interactions energy: -217.350
where: short stacking energy: -85.886
Base-Backbone interact. energy: -0.625
local terms energy: -118.423101
where:
bonds (distance) C4'-P energy: -21.629
bonds (distance) P-C4' energy: -22.919
flat angles C4'-P-C4' energy: -30.483
flat angles P-C4'-P energy: -16.018
tors. eta vs tors. theta energy: -27.374
Dist. restrs. and SS energy: 0.367 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -328.523858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.523858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.123180 (E_RNA)
where:
Base-Base interactions energy: -219.914
where: short stacking energy: -81.571
Base-Backbone interact. energy: 0.693
local terms energy: -109.902636
where:
bonds (distance) C4'-P energy: -24.518
bonds (distance) P-C4' energy: -28.429
flat angles C4'-P-C4' energy: -23.273
flat angles P-C4'-P energy: -16.347
tors. eta vs tors. theta energy: -17.335
Dist. restrs. and SS energy: 0.599 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -421.155098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.155098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.331643 (E_RNA)
where:
Base-Base interactions energy: -279.370
where: short stacking energy: -111.784
Base-Backbone interact. energy: -0.778
local terms energy: -141.182819
where:
bonds (distance) C4'-P energy: -27.882
bonds (distance) P-C4' energy: -28.538
flat angles C4'-P-C4' energy: -31.616
flat angles P-C4'-P energy: -17.681
tors. eta vs tors. theta energy: -35.465
Dist. restrs. and SS energy: 0.177 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -422.241228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.241228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.580845 (E_RNA)
where:
Base-Base interactions energy: -288.791
where: short stacking energy: -108.778
Base-Backbone interact. energy: -0.521
local terms energy: -133.269045
where:
bonds (distance) C4'-P energy: -19.605
bonds (distance) P-C4' energy: -33.333
flat angles C4'-P-C4' energy: -29.821
flat angles P-C4'-P energy: -17.694
tors. eta vs tors. theta energy: -32.817
Dist. restrs. and SS energy: 0.340 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -402.763541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.763541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.851302 (E_RNA)
where:
Base-Base interactions energy: -282.857
where: short stacking energy: -102.796
Base-Backbone interact. energy: -0.839
local terms energy: -119.155627
where:
bonds (distance) C4'-P energy: -23.666
bonds (distance) P-C4' energy: -27.378
flat angles C4'-P-C4' energy: -25.692
flat angles P-C4'-P energy: -15.118
tors. eta vs tors. theta energy: -27.301
Dist. restrs. and SS energy: 0.088 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -390.765371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.765371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.049993 (E_RNA)
where:
Base-Base interactions energy: -267.619
where: short stacking energy: -108.094
Base-Backbone interact. energy: -0.385
local terms energy: -123.046113
where:
bonds (distance) C4'-P energy: -21.649
bonds (distance) P-C4' energy: -23.073
flat angles C4'-P-C4' energy: -26.292
flat angles P-C4'-P energy: -21.116
tors. eta vs tors. theta energy: -30.916
Dist. restrs. and SS energy: 0.285 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -383.652385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.652385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.923278 (E_RNA)
where:
Base-Base interactions energy: -265.756
where: short stacking energy: -113.855
Base-Backbone interact. energy: -0.578
local terms energy: -117.589409
where:
bonds (distance) C4'-P energy: -17.907
bonds (distance) P-C4' energy: -24.124
flat angles C4'-P-C4' energy: -26.814
flat angles P-C4'-P energy: -21.378
tors. eta vs tors. theta energy: -27.367
Dist. restrs. and SS energy: 0.271 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -359.588644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.588644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.960380 (E_RNA)
where:
Base-Base interactions energy: -238.120
where: short stacking energy: -100.896
Base-Backbone interact. energy: 0.655
local terms energy: -122.494894
where:
bonds (distance) C4'-P energy: -21.348
bonds (distance) P-C4' energy: -22.144
flat angles C4'-P-C4' energy: -26.683
flat angles P-C4'-P energy: -21.797
tors. eta vs tors. theta energy: -30.523
Dist. restrs. and SS energy: 0.372 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -353.314638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.314638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.525618 (E_RNA)
where:
Base-Base interactions energy: -240.037
where: short stacking energy: -89.865
Base-Backbone interact. energy: -0.109
local terms energy: -113.378914
where:
bonds (distance) C4'-P energy: -20.358
bonds (distance) P-C4' energy: -29.080
flat angles C4'-P-C4' energy: -22.091
flat angles P-C4'-P energy: -17.658
tors. eta vs tors. theta energy: -24.193
Dist. restrs. and SS energy: 0.211 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -337.255636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.255636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.312957 (E_RNA)
where:
Base-Base interactions energy: -219.004
where: short stacking energy: -83.406
Base-Backbone interact. energy: -0.320
local terms energy: -117.988639
where:
bonds (distance) C4'-P energy: -27.302
bonds (distance) P-C4' energy: -22.784
flat angles C4'-P-C4' energy: -27.128
flat angles P-C4'-P energy: -14.077
tors. eta vs tors. theta energy: -26.698
Dist. restrs. and SS energy: 0.057 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -327.261137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.261137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.316573 (E_RNA)
where:
Base-Base interactions energy: -219.950
where: short stacking energy: -80.509
Base-Backbone interact. energy: 0.299
local terms energy: -107.666301
where:
bonds (distance) C4'-P energy: -15.596
bonds (distance) P-C4' energy: -29.485
flat angles C4'-P-C4' energy: -28.067
flat angles P-C4'-P energy: -14.475
tors. eta vs tors. theta energy: -20.043
Dist. restrs. and SS energy: 0.055 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -336.930584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.930584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.301250 (E_RNA)
where:
Base-Base interactions energy: -214.474
where: short stacking energy: -89.571
Base-Backbone interact. energy: -0.324
local terms energy: -122.504095
where:
bonds (distance) C4'-P energy: -20.562
bonds (distance) P-C4' energy: -31.114
flat angles C4'-P-C4' energy: -26.121
flat angles P-C4'-P energy: -13.124
tors. eta vs tors. theta energy: -31.583
Dist. restrs. and SS energy: 0.371 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -433.603804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.603804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.907090 (E_RNA)
where:
Base-Base interactions energy: -305.315
where: short stacking energy: -122.107
Base-Backbone interact. energy: -0.108
local terms energy: -128.484749
where:
bonds (distance) C4'-P energy: -29.550
bonds (distance) P-C4' energy: -24.817
flat angles C4'-P-C4' energy: -26.182
flat angles P-C4'-P energy: -17.225
tors. eta vs tors. theta energy: -30.710
Dist. restrs. and SS energy: 0.303 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -413.427430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.427430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.669650 (E_RNA)
where:
Base-Base interactions energy: -281.258
where: short stacking energy: -113.501
Base-Backbone interact. energy: -1.349
local terms energy: -131.062171
where:
bonds (distance) C4'-P energy: -26.640
bonds (distance) P-C4' energy: -24.231
flat angles C4'-P-C4' energy: -27.686
flat angles P-C4'-P energy: -20.686
tors. eta vs tors. theta energy: -31.819
Dist. restrs. and SS energy: 0.242 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -408.848253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.848253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.139654 (E_RNA)
where:
Base-Base interactions energy: -274.800
where: short stacking energy: -105.673
Base-Backbone interact. energy: 0.563
local terms energy: -134.902743
where:
bonds (distance) C4'-P energy: -25.687
bonds (distance) P-C4' energy: -28.207
flat angles C4'-P-C4' energy: -27.227
flat angles P-C4'-P energy: -19.878
tors. eta vs tors. theta energy: -33.904
Dist. restrs. and SS energy: 0.291 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -395.646763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.646763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.179119 (E_RNA)
where:
Base-Base interactions energy: -265.688
where: short stacking energy: -109.906
Base-Backbone interact. energy: -0.453
local terms energy: -130.038245
where:
bonds (distance) C4'-P energy: -27.952
bonds (distance) P-C4' energy: -24.082
flat angles C4'-P-C4' energy: -26.940
flat angles P-C4'-P energy: -20.843
tors. eta vs tors. theta energy: -30.221
Dist. restrs. and SS energy: 0.532 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -386.947383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.947383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.118831 (E_RNA)
where:
Base-Base interactions energy: -264.825
where: short stacking energy: -107.205
Base-Backbone interact. energy: -0.142
local terms energy: -122.152057
where:
bonds (distance) C4'-P energy: -17.904
bonds (distance) P-C4' energy: -23.425
flat angles C4'-P-C4' energy: -32.792
flat angles P-C4'-P energy: -19.657
tors. eta vs tors. theta energy: -28.375
Dist. restrs. and SS energy: 0.171 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -352.328911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.328911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.437491 (E_RNA)
where:
Base-Base interactions energy: -234.254
where: short stacking energy: -91.512
Base-Backbone interact. energy: -0.137
local terms energy: -118.046854
where:
bonds (distance) C4'-P energy: -20.581
bonds (distance) P-C4' energy: -26.060
flat angles C4'-P-C4' energy: -29.952
flat angles P-C4'-P energy: -14.583
tors. eta vs tors. theta energy: -26.870
Dist. restrs. and SS energy: 0.109 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -349.777641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.777641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.960343 (E_RNA)
where:
Base-Base interactions energy: -228.794
where: short stacking energy: -93.320
Base-Backbone interact. energy: -0.136
local terms energy: -121.030284
where:
bonds (distance) C4'-P energy: -21.830
bonds (distance) P-C4' energy: -22.448
flat angles C4'-P-C4' energy: -28.568
flat angles P-C4'-P energy: -14.528
tors. eta vs tors. theta energy: -33.657
Dist. restrs. and SS energy: 0.183 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -330.849375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.849375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.207026 (E_RNA)
where:
Base-Base interactions energy: -218.625
where: short stacking energy: -83.850
Base-Backbone interact. energy: -1.382
local terms energy: -111.200195
where:
bonds (distance) C4'-P energy: -26.150
bonds (distance) P-C4' energy: -25.690
flat angles C4'-P-C4' energy: -26.107
flat angles P-C4'-P energy: -12.070
tors. eta vs tors. theta energy: -21.184
Dist. restrs. and SS energy: 0.358 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -326.336599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.336599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.546976 (E_RNA)
where:
Base-Base interactions energy: -213.862
where: short stacking energy: -78.418
Base-Backbone interact. energy: -0.160
local terms energy: -112.525667
where:
bonds (distance) C4'-P energy: -23.815
bonds (distance) P-C4' energy: -21.786
flat angles C4'-P-C4' energy: -23.033
flat angles P-C4'-P energy: -18.739
tors. eta vs tors. theta energy: -25.153
Dist. restrs. and SS energy: 0.210 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -318.023298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.023298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.287278 (E_RNA)
where:
Base-Base interactions energy: -222.942
where: short stacking energy: -87.513
Base-Backbone interact. energy: -0.369
local terms energy: -94.976067
where:
bonds (distance) C4'-P energy: -22.437
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -21.847
flat angles P-C4'-P energy: -10.452
tors. eta vs tors. theta energy: -23.859
Dist. restrs. and SS energy: 0.264 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -437.743286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.743286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.757684 (E_RNA)
where:
Base-Base interactions energy: -306.198
where: short stacking energy: -115.191
Base-Backbone interact. energy: -0.277
local terms energy: -131.283147
where:
bonds (distance) C4'-P energy: -18.855
bonds (distance) P-C4' energy: -29.502
flat angles C4'-P-C4' energy: -29.706
flat angles P-C4'-P energy: -17.602
tors. eta vs tors. theta energy: -35.617
Dist. restrs. and SS energy: 0.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -403.685760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.685760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.914551 (E_RNA)
where:
Base-Base interactions energy: -269.807
where: short stacking energy: -99.935
Base-Backbone interact. energy: -2.439
local terms energy: -131.668177
where:
bonds (distance) C4'-P energy: -27.848
bonds (distance) P-C4' energy: -29.259
flat angles C4'-P-C4' energy: -24.852
flat angles P-C4'-P energy: -19.297
tors. eta vs tors. theta energy: -30.412
Dist. restrs. and SS energy: 0.229 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -413.389275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.389275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.424481 (E_RNA)
where:
Base-Base interactions energy: -276.836
where: short stacking energy: -113.890
Base-Backbone interact. energy: -0.550
local terms energy: -136.038045
where:
bonds (distance) C4'-P energy: -26.304
bonds (distance) P-C4' energy: -27.692
flat angles C4'-P-C4' energy: -32.295
flat angles P-C4'-P energy: -17.439
tors. eta vs tors. theta energy: -32.308
Dist. restrs. and SS energy: 0.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -383.751439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.751439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.995444 (E_RNA)
where:
Base-Base interactions energy: -255.225
where: short stacking energy: -95.804
Base-Backbone interact. energy: -1.059
local terms energy: -127.711277
where:
bonds (distance) C4'-P energy: -26.648
bonds (distance) P-C4' energy: -27.749
flat angles C4'-P-C4' energy: -27.941
flat angles P-C4'-P energy: -15.276
tors. eta vs tors. theta energy: -30.098
Dist. restrs. and SS energy: 0.244 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -378.613621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.613621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.006639 (E_RNA)
where:
Base-Base interactions energy: -247.169
where: short stacking energy: -97.344
Base-Backbone interact. energy: 3.557
local terms energy: -135.394695
where:
bonds (distance) C4'-P energy: -28.060
bonds (distance) P-C4' energy: -33.297
flat angles C4'-P-C4' energy: -24.462
flat angles P-C4'-P energy: -20.985
tors. eta vs tors. theta energy: -28.591
Dist. restrs. and SS energy: 0.393 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -366.743655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.743655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.255827 (E_RNA)
where:
Base-Base interactions energy: -234.588
where: short stacking energy: -98.249
Base-Backbone interact. energy: -0.655
local terms energy: -132.012260
where:
bonds (distance) C4'-P energy: -25.592
bonds (distance) P-C4' energy: -25.373
flat angles C4'-P-C4' energy: -30.844
flat angles P-C4'-P energy: -19.711
tors. eta vs tors. theta energy: -30.492
Dist. restrs. and SS energy: 0.512 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -350.003490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.003490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.088423 (E_RNA)
where:
Base-Base interactions energy: -238.506
where: short stacking energy: -90.403
Base-Backbone interact. energy: -0.608
local terms energy: -110.974854
where:
bonds (distance) C4'-P energy: -20.607
bonds (distance) P-C4' energy: -26.347
flat angles C4'-P-C4' energy: -25.588
flat angles P-C4'-P energy: -12.236
tors. eta vs tors. theta energy: -26.197
Dist. restrs. and SS energy: 0.085 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -343.161526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.161526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.814275 (E_RNA)
where:
Base-Base interactions energy: -222.408
where: short stacking energy: -89.930
Base-Backbone interact. energy: -0.345
local terms energy: -121.060812
where:
bonds (distance) C4'-P energy: -26.705
bonds (distance) P-C4' energy: -25.980
flat angles C4'-P-C4' energy: -25.799
flat angles P-C4'-P energy: -17.343
tors. eta vs tors. theta energy: -25.234
Dist. restrs. and SS energy: 0.653 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -320.181350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.181350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.595647 (E_RNA)
where:
Base-Base interactions energy: -220.273
where: short stacking energy: -81.168
Base-Backbone interact. energy: -0.518
local terms energy: -99.804838
where:
bonds (distance) C4'-P energy: -26.006
bonds (distance) P-C4' energy: -19.921
flat angles C4'-P-C4' energy: -21.314
flat angles P-C4'-P energy: -12.697
tors. eta vs tors. theta energy: -19.866
Dist. restrs. and SS energy: 0.414 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -323.437480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.437480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.897369 (E_RNA)
where:
Base-Base interactions energy: -217.368
where: short stacking energy: -86.391
Base-Backbone interact. energy: -0.573
local terms energy: -105.956362
where:
bonds (distance) C4'-P energy: -24.904
bonds (distance) P-C4' energy: -20.849
flat angles C4'-P-C4' energy: -21.750
flat angles P-C4'-P energy: -15.830
tors. eta vs tors. theta energy: -22.624
Dist. restrs. and SS energy: 0.460 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -441.339405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.339405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.572491 (E_RNA)
where:
Base-Base interactions energy: -305.848
where: short stacking energy: -121.088
Base-Backbone interact. energy: 0.965
local terms energy: -136.688853
where:
bonds (distance) C4'-P energy: -22.908
bonds (distance) P-C4' energy: -26.851
flat angles C4'-P-C4' energy: -25.366
flat angles P-C4'-P energy: -22.349
tors. eta vs tors. theta energy: -39.215
Dist. restrs. and SS energy: 0.233 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -410.063194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.063194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.559138 (E_RNA)
where:
Base-Base interactions energy: -279.348
where: short stacking energy: -118.114
Base-Backbone interact. energy: -0.310
local terms energy: -130.901286
where:
bonds (distance) C4'-P energy: -21.509
bonds (distance) P-C4' energy: -27.034
flat angles C4'-P-C4' energy: -26.884
flat angles P-C4'-P energy: -16.525
tors. eta vs tors. theta energy: -38.948
Dist. restrs. and SS energy: 0.496 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -418.766946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.766946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.928270 (E_RNA)
where:
Base-Base interactions energy: -286.463
where: short stacking energy: -116.295
Base-Backbone interact. energy: -0.690
local terms energy: -131.775568
where:
bonds (distance) C4'-P energy: -24.545
bonds (distance) P-C4' energy: -28.851
flat angles C4'-P-C4' energy: -28.674
flat angles P-C4'-P energy: -15.528
tors. eta vs tors. theta energy: -34.178
Dist. restrs. and SS energy: 0.161 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -397.992542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.992542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.302122 (E_RNA)
where:
Base-Base interactions energy: -287.186
where: short stacking energy: -114.729
Base-Backbone interact. energy: 1.864
local terms energy: -112.979886
where:
bonds (distance) C4'-P energy: -22.849
bonds (distance) P-C4' energy: -21.401
flat angles C4'-P-C4' energy: -26.716
flat angles P-C4'-P energy: -16.321
tors. eta vs tors. theta energy: -25.693
Dist. restrs. and SS energy: 0.310 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -381.505532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.505532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.875424 (E_RNA)
where:
Base-Base interactions energy: -256.551
where: short stacking energy: -102.045
Base-Backbone interact. energy: -1.176
local terms energy: -124.148832
where:
bonds (distance) C4'-P energy: -26.784
bonds (distance) P-C4' energy: -22.617
flat angles C4'-P-C4' energy: -27.393
flat angles P-C4'-P energy: -15.068
tors. eta vs tors. theta energy: -32.288
Dist. restrs. and SS energy: 0.370 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -375.404399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.404399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.992107 (E_RNA)
where:
Base-Base interactions energy: -250.263
where: short stacking energy: -100.603
Base-Backbone interact. energy: 0.851
local terms energy: -126.580763
where:
bonds (distance) C4'-P energy: -24.597
bonds (distance) P-C4' energy: -22.846
flat angles C4'-P-C4' energy: -26.373
flat angles P-C4'-P energy: -18.810
tors. eta vs tors. theta energy: -33.955
Dist. restrs. and SS energy: 0.588 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -354.124135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.124135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.500630 (E_RNA)
where:
Base-Base interactions energy: -232.994
where: short stacking energy: -97.463
Base-Backbone interact. energy: -0.065
local terms energy: -121.441583
where:
bonds (distance) C4'-P energy: -28.947
bonds (distance) P-C4' energy: -25.549
flat angles C4'-P-C4' energy: -24.622
flat angles P-C4'-P energy: -16.892
tors. eta vs tors. theta energy: -25.431
Dist. restrs. and SS energy: 0.376 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -341.579681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.579681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.602010 (E_RNA)
where:
Base-Base interactions energy: -224.453
where: short stacking energy: -84.934
Base-Backbone interact. energy: -0.528
local terms energy: -117.621171
where:
bonds (distance) C4'-P energy: -21.332
bonds (distance) P-C4' energy: -22.733
flat angles C4'-P-C4' energy: -25.899
flat angles P-C4'-P energy: -23.346
tors. eta vs tors. theta energy: -24.311
Dist. restrs. and SS energy: 1.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -359.919133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.919133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.398923 (E_RNA)
where:
Base-Base interactions energy: -246.703
where: short stacking energy: -95.677
Base-Backbone interact. energy: -0.778
local terms energy: -112.917861
where:
bonds (distance) C4'-P energy: -26.675
bonds (distance) P-C4' energy: -27.000
flat angles C4'-P-C4' energy: -21.750
flat angles P-C4'-P energy: -11.990
tors. eta vs tors. theta energy: -25.502
Dist. restrs. and SS energy: 0.480 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -312.788904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.788904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.357952 (E_RNA)
where:
Base-Base interactions energy: -196.673
where: short stacking energy: -72.903
Base-Backbone interact. energy: -0.802
local terms energy: -115.882464
where:
bonds (distance) C4'-P energy: -28.203
bonds (distance) P-C4' energy: -27.738
flat angles C4'-P-C4' energy: -26.386
flat angles P-C4'-P energy: -13.976
tors. eta vs tors. theta energy: -19.580
Dist. restrs. and SS energy: 0.569 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -438.554214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.554214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.940421 (E_RNA)
where:
Base-Base interactions energy: -302.170
where: short stacking energy: -109.690
Base-Backbone interact. energy: 0.764
local terms energy: -137.533886
where:
bonds (distance) C4'-P energy: -31.002
bonds (distance) P-C4' energy: -29.489
flat angles C4'-P-C4' energy: -27.198
flat angles P-C4'-P energy: -18.776
tors. eta vs tors. theta energy: -31.069
Dist. restrs. and SS energy: 0.386 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -410.500446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.500446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.397735 (E_RNA)
where:
Base-Base interactions energy: -274.370
where: short stacking energy: -115.413
Base-Backbone interact. energy: -0.299
local terms energy: -136.729140
where:
bonds (distance) C4'-P energy: -28.201
bonds (distance) P-C4' energy: -27.811
flat angles C4'-P-C4' energy: -30.013
flat angles P-C4'-P energy: -20.125
tors. eta vs tors. theta energy: -30.579
Dist. restrs. and SS energy: 0.897 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -414.195837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.195837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.236535 (E_RNA)
where:
Base-Base interactions energy: -283.290
where: short stacking energy: -114.114
Base-Backbone interact. energy: -3.058
local terms energy: -127.889335
where:
bonds (distance) C4'-P energy: -27.886
bonds (distance) P-C4' energy: -25.101
flat angles C4'-P-C4' energy: -23.524
flat angles P-C4'-P energy: -13.113
tors. eta vs tors. theta energy: -38.266
Dist. restrs. and SS energy: 0.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -380.313523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.313523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.433452 (E_RNA)
where:
Base-Base interactions energy: -254.218
where: short stacking energy: -100.229
Base-Backbone interact. energy: -0.274
local terms energy: -125.941180
where:
bonds (distance) C4'-P energy: -23.991
bonds (distance) P-C4' energy: -28.826
flat angles C4'-P-C4' energy: -28.791
flat angles P-C4'-P energy: -15.086
tors. eta vs tors. theta energy: -29.246
Dist. restrs. and SS energy: 0.120 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -388.214754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.214754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.256735 (E_RNA)
where:
Base-Base interactions energy: -268.753
where: short stacking energy: -110.030
Base-Backbone interact. energy: -0.278
local terms energy: -119.225397
where:
bonds (distance) C4'-P energy: -21.629
bonds (distance) P-C4' energy: -20.323
flat angles C4'-P-C4' energy: -27.820
flat angles P-C4'-P energy: -13.532
tors. eta vs tors. theta energy: -35.921
Dist. restrs. and SS energy: 0.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -359.213304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.213304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.520365 (E_RNA)
where:
Base-Base interactions energy: -243.150
where: short stacking energy: -101.600
Base-Backbone interact. energy: -0.060
local terms energy: -116.309898
where:
bonds (distance) C4'-P energy: -19.583
bonds (distance) P-C4' energy: -24.485
flat angles C4'-P-C4' energy: -26.663
flat angles P-C4'-P energy: -21.558
tors. eta vs tors. theta energy: -24.021
Dist. restrs. and SS energy: 0.307 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -361.630745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.630745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.919004 (E_RNA)
where:
Base-Base interactions energy: -247.541
where: short stacking energy: -97.068
Base-Backbone interact. energy: 0.258
local terms energy: -114.636354
where:
bonds (distance) C4'-P energy: -24.250
bonds (distance) P-C4' energy: -19.840
flat angles C4'-P-C4' energy: -25.549
flat angles P-C4'-P energy: -12.965
tors. eta vs tors. theta energy: -32.032
Dist. restrs. and SS energy: 0.288 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -340.183723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.183723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.377369 (E_RNA)
where:
Base-Base interactions energy: -227.036
where: short stacking energy: -83.310
Base-Backbone interact. energy: -0.221
local terms energy: -113.120685
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -27.740
flat angles C4'-P-C4' energy: -25.632
flat angles P-C4'-P energy: -15.411
tors. eta vs tors. theta energy: -28.476
Dist. restrs. and SS energy: 0.194 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -325.269001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.269001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.522988 (E_RNA)
where:
Base-Base interactions energy: -222.869
where: short stacking energy: -77.431
Base-Backbone interact. energy: -2.018
local terms energy: -100.635552
where:
bonds (distance) C4'-P energy: -19.726
bonds (distance) P-C4' energy: -17.862
flat angles C4'-P-C4' energy: -24.665
flat angles P-C4'-P energy: -18.286
tors. eta vs tors. theta energy: -20.097
Dist. restrs. and SS energy: 0.254 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -300.239131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.239131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.567245 (E_RNA)
where:
Base-Base interactions energy: -209.027
where: short stacking energy: -81.703
Base-Backbone interact. energy: 2.165
local terms energy: -93.705391
where:
bonds (distance) C4'-P energy: -13.548
bonds (distance) P-C4' energy: -20.836
flat angles C4'-P-C4' energy: -24.500
flat angles P-C4'-P energy: -15.175
tors. eta vs tors. theta energy: -19.646
Dist. restrs. and SS energy: 0.328 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -450.248551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.248551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.277189 (E_RNA)
where:
Base-Base interactions energy: -312.515
where: short stacking energy: -125.823
Base-Backbone interact. energy: -1.517
local terms energy: -136.244977
where:
bonds (distance) C4'-P energy: -28.155
bonds (distance) P-C4' energy: -25.615
flat angles C4'-P-C4' energy: -32.317
flat angles P-C4'-P energy: -16.850
tors. eta vs tors. theta energy: -33.308
Dist. restrs. and SS energy: 0.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -395.126023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.126023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.323359 (E_RNA)
where:
Base-Base interactions energy: -264.307
where: short stacking energy: -104.462
Base-Backbone interact. energy: -0.355
local terms energy: -130.661001
where:
bonds (distance) C4'-P energy: -28.429
bonds (distance) P-C4' energy: -27.816
flat angles C4'-P-C4' energy: -29.581
flat angles P-C4'-P energy: -17.542
tors. eta vs tors. theta energy: -27.294
Dist. restrs. and SS energy: 0.197 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -396.270017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.270017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.401434 (E_RNA)
where:
Base-Base interactions energy: -263.806
where: short stacking energy: -112.907
Base-Backbone interact. energy: -0.963
local terms energy: -131.632729
where:
bonds (distance) C4'-P energy: -29.201
bonds (distance) P-C4' energy: -23.150
flat angles C4'-P-C4' energy: -26.882
flat angles P-C4'-P energy: -14.345
tors. eta vs tors. theta energy: -38.055
Dist. restrs. and SS energy: 0.131 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -393.432491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.432491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.596933 (E_RNA)
where:
Base-Base interactions energy: -264.418
where: short stacking energy: -109.099
Base-Backbone interact. energy: -0.778
local terms energy: -128.400064
where:
bonds (distance) C4'-P energy: -22.066
bonds (distance) P-C4' energy: -28.950
flat angles C4'-P-C4' energy: -26.443
flat angles P-C4'-P energy: -18.181
tors. eta vs tors. theta energy: -32.760
Dist. restrs. and SS energy: 0.164 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -365.547304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.547304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.794266 (E_RNA)
where:
Base-Base interactions energy: -250.070
where: short stacking energy: -96.192
Base-Backbone interact. energy: -1.080
local terms energy: -114.643732
where:
bonds (distance) C4'-P energy: -26.823
bonds (distance) P-C4' energy: -22.251
flat angles C4'-P-C4' energy: -21.187
flat angles P-C4'-P energy: -15.465
tors. eta vs tors. theta energy: -28.918
Dist. restrs. and SS energy: 0.247 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -365.392875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.392875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.951951 (E_RNA)
where:
Base-Base interactions energy: -242.388
where: short stacking energy: -86.062
Base-Backbone interact. energy: -1.200
local terms energy: -122.363417
where:
bonds (distance) C4'-P energy: -26.142
bonds (distance) P-C4' energy: -29.209
flat angles C4'-P-C4' energy: -25.096
flat angles P-C4'-P energy: -15.034
tors. eta vs tors. theta energy: -26.882
Dist. restrs. and SS energy: 0.559 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -346.774213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.774213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.494385 (E_RNA)
where:
Base-Base interactions energy: -230.061
where: short stacking energy: -90.274
Base-Backbone interact. energy: -0.267
local terms energy: -117.166268
where:
bonds (distance) C4'-P energy: -24.420
bonds (distance) P-C4' energy: -21.573
flat angles C4'-P-C4' energy: -22.108
flat angles P-C4'-P energy: -21.984
tors. eta vs tors. theta energy: -27.081
Dist. restrs. and SS energy: 0.720 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -334.557362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.557362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.862803 (E_RNA)
where:
Base-Base interactions energy: -226.748
where: short stacking energy: -87.545
Base-Backbone interact. energy: -0.223
local terms energy: -107.892487
where:
bonds (distance) C4'-P energy: -20.106
bonds (distance) P-C4' energy: -23.783
flat angles C4'-P-C4' energy: -24.842
flat angles P-C4'-P energy: -15.995
tors. eta vs tors. theta energy: -23.167
Dist. restrs. and SS energy: 0.305 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -342.162869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.162869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.588507 (E_RNA)
where:
Base-Base interactions energy: -233.763
where: short stacking energy: -90.586
Base-Backbone interact. energy: -1.483
local terms energy: -107.343284
where:
bonds (distance) C4'-P energy: -23.642
bonds (distance) P-C4' energy: -19.768
flat angles C4'-P-C4' energy: -26.473
flat angles P-C4'-P energy: -17.659
tors. eta vs tors. theta energy: -19.802
Dist. restrs. and SS energy: 0.426 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -308.009596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.009596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.318155 (E_RNA)
where:
Base-Base interactions energy: -215.227
where: short stacking energy: -82.740
Base-Backbone interact. energy: -0.212
local terms energy: -92.879015
where:
bonds (distance) C4'-P energy: -20.623
bonds (distance) P-C4' energy: -19.082
flat angles C4'-P-C4' energy: -17.456
flat angles P-C4'-P energy: -16.448
tors. eta vs tors. theta energy: -19.270
Dist. restrs. and SS energy: 0.309 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -436.138433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.138433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.293988 (E_RNA)
where:
Base-Base interactions energy: -297.452
where: short stacking energy: -113.908
Base-Backbone interact. energy: -0.221
local terms energy: -138.620730
where:
bonds (distance) C4'-P energy: -28.816
bonds (distance) P-C4' energy: -29.501
flat angles C4'-P-C4' energy: -25.236
flat angles P-C4'-P energy: -24.615
tors. eta vs tors. theta energy: -30.453
Dist. restrs. and SS energy: 0.156 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -408.352987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.352987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.521722 (E_RNA)
where:
Base-Base interactions energy: -287.488
where: short stacking energy: -110.585
Base-Backbone interact. energy: -0.028
local terms energy: -121.005239
where:
bonds (distance) C4'-P energy: -29.014
bonds (distance) P-C4' energy: -26.021
flat angles C4'-P-C4' energy: -22.234
flat angles P-C4'-P energy: -10.626
tors. eta vs tors. theta energy: -33.110
Dist. restrs. and SS energy: 0.169 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -391.915451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.915451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.220394 (E_RNA)
where:
Base-Base interactions energy: -263.710
where: short stacking energy: -103.064
Base-Backbone interact. energy: -0.356
local terms energy: -128.153871
where:
bonds (distance) C4'-P energy: -20.778
bonds (distance) P-C4' energy: -28.425
flat angles C4'-P-C4' energy: -33.986
flat angles P-C4'-P energy: -15.700
tors. eta vs tors. theta energy: -29.265
Dist. restrs. and SS energy: 0.305 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -400.926055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.926055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.240410 (E_RNA)
where:
Base-Base interactions energy: -267.837
where: short stacking energy: -108.387
Base-Backbone interact. energy: -0.208
local terms energy: -133.194841
where:
bonds (distance) C4'-P energy: -21.632
bonds (distance) P-C4' energy: -27.111
flat angles C4'-P-C4' energy: -26.859
flat angles P-C4'-P energy: -21.709
tors. eta vs tors. theta energy: -35.884
Dist. restrs. and SS energy: 0.314 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -361.938065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.938065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.121522 (E_RNA)
where:
Base-Base interactions energy: -250.565
where: short stacking energy: -109.188
Base-Backbone interact. energy: -0.215
local terms energy: -111.341011
where:
bonds (distance) C4'-P energy: -20.209
bonds (distance) P-C4' energy: -27.267
flat angles C4'-P-C4' energy: -25.413
flat angles P-C4'-P energy: -12.344
tors. eta vs tors. theta energy: -26.108
Dist. restrs. and SS energy: 0.183 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -357.495988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.495988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.649290 (E_RNA)
where:
Base-Base interactions energy: -243.422
where: short stacking energy: -85.085
Base-Backbone interact. energy: 3.591
local terms energy: -117.818018
where:
bonds (distance) C4'-P energy: -19.770
bonds (distance) P-C4' energy: -24.116
flat angles C4'-P-C4' energy: -29.888
flat angles P-C4'-P energy: -14.361
tors. eta vs tors. theta energy: -29.683
Dist. restrs. and SS energy: 0.153 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -357.097450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.097450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.386648 (E_RNA)
where:
Base-Base interactions energy: -236.706
where: short stacking energy: -98.437
Base-Backbone interact. energy: -0.527
local terms energy: -120.153777
where:
bonds (distance) C4'-P energy: -27.021
bonds (distance) P-C4' energy: -25.531
flat angles C4'-P-C4' energy: -26.070
flat angles P-C4'-P energy: -16.129
tors. eta vs tors. theta energy: -25.403
Dist. restrs. and SS energy: 0.289 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -342.924564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.924564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.072391 (E_RNA)
where:
Base-Base interactions energy: -234.102
where: short stacking energy: -94.350
Base-Backbone interact. energy: -0.657
local terms energy: -108.313380
where:
bonds (distance) C4'-P energy: -22.612
bonds (distance) P-C4' energy: -19.153
flat angles C4'-P-C4' energy: -21.047
flat angles P-C4'-P energy: -16.731
tors. eta vs tors. theta energy: -28.771
Dist. restrs. and SS energy: 0.148 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -342.942206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.942206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.696006 (E_RNA)
where:
Base-Base interactions energy: -239.018
where: short stacking energy: -88.229
Base-Backbone interact. energy: -0.730
local terms energy: -103.947392
where:
bonds (distance) C4'-P energy: -21.855
bonds (distance) P-C4' energy: -17.833
flat angles C4'-P-C4' energy: -26.445
flat angles P-C4'-P energy: -13.694
tors. eta vs tors. theta energy: -24.121
Dist. restrs. and SS energy: 0.754 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -314.855108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.855108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.365102 (E_RNA)
where:
Base-Base interactions energy: -224.522
where: short stacking energy: -85.082
Base-Backbone interact. energy: -0.313
local terms energy: -90.530845
where:
bonds (distance) C4'-P energy: -17.829
bonds (distance) P-C4' energy: -22.549
flat angles C4'-P-C4' energy: -22.866
flat angles P-C4'-P energy: -6.971
tors. eta vs tors. theta energy: -20.317
Dist. restrs. and SS energy: 0.510 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -424.294159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.294159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.480160 (E_RNA)
where:
Base-Base interactions energy: -290.334
where: short stacking energy: -116.746
Base-Backbone interact. energy: -0.957
local terms energy: -133.189147
where:
bonds (distance) C4'-P energy: -28.544
bonds (distance) P-C4' energy: -30.714
flat angles C4'-P-C4' energy: -29.699
flat angles P-C4'-P energy: -15.415
tors. eta vs tors. theta energy: -28.818
Dist. restrs. and SS energy: 0.186 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -423.770882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.770882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.967049 (E_RNA)
where:
Base-Base interactions energy: -298.996
where: short stacking energy: -102.431
Base-Backbone interact. energy: -0.801
local terms energy: -124.169183
where:
bonds (distance) C4'-P energy: -26.138
bonds (distance) P-C4' energy: -29.305
flat angles C4'-P-C4' energy: -23.768
flat angles P-C4'-P energy: -16.653
tors. eta vs tors. theta energy: -28.306
Dist. restrs. and SS energy: 0.196 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -408.543736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.543736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.828431 (E_RNA)
where:
Base-Base interactions energy: -279.702
where: short stacking energy: -111.417
Base-Backbone interact. energy: -0.221
local terms energy: -128.905971
where:
bonds (distance) C4'-P energy: -22.585
bonds (distance) P-C4' energy: -27.633
flat angles C4'-P-C4' energy: -26.676
flat angles P-C4'-P energy: -16.093
tors. eta vs tors. theta energy: -35.919
Dist. restrs. and SS energy: 0.285 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -397.651456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.651456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.963566 (E_RNA)
where:
Base-Base interactions energy: -271.181
where: short stacking energy: -95.944
Base-Backbone interact. energy: -1.102
local terms energy: -125.679890
where:
bonds (distance) C4'-P energy: -29.914
bonds (distance) P-C4' energy: -28.024
flat angles C4'-P-C4' energy: -23.755
flat angles P-C4'-P energy: -17.202
tors. eta vs tors. theta energy: -26.784
Dist. restrs. and SS energy: 0.312 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -379.520616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.520616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.841166 (E_RNA)
where:
Base-Base interactions energy: -253.362
where: short stacking energy: -98.396
Base-Backbone interact. energy: 1.332
local terms energy: -127.810755
where:
bonds (distance) C4'-P energy: -23.772
bonds (distance) P-C4' energy: -27.582
flat angles C4'-P-C4' energy: -28.455
flat angles P-C4'-P energy: -17.855
tors. eta vs tors. theta energy: -30.147
Dist. restrs. and SS energy: 0.321 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -364.619297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.619297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.379685 (E_RNA)
where:
Base-Base interactions energy: -244.500
where: short stacking energy: -102.688
Base-Backbone interact. energy: -0.158
local terms energy: -120.721853
where:
bonds (distance) C4'-P energy: -28.096
bonds (distance) P-C4' energy: -25.596
flat angles C4'-P-C4' energy: -27.190
flat angles P-C4'-P energy: -17.192
tors. eta vs tors. theta energy: -22.647
Dist. restrs. and SS energy: 0.760 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -343.420608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.420608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.732038 (E_RNA)
where:
Base-Base interactions energy: -236.752
where: short stacking energy: -82.334
Base-Backbone interact. energy: 2.291
local terms energy: -109.271239
where:
bonds (distance) C4'-P energy: -26.498
bonds (distance) P-C4' energy: -25.110
flat angles C4'-P-C4' energy: -22.209
flat angles P-C4'-P energy: -14.566
tors. eta vs tors. theta energy: -20.889
Dist. restrs. and SS energy: 0.311 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -331.711918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.711918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.099395 (E_RNA)
where:
Base-Base interactions energy: -213.315
where: short stacking energy: -82.669
Base-Backbone interact. energy: -0.306
local terms energy: -118.478357
where:
bonds (distance) C4'-P energy: -25.583
bonds (distance) P-C4' energy: -31.827
flat angles C4'-P-C4' energy: -27.947
flat angles P-C4'-P energy: -13.487
tors. eta vs tors. theta energy: -19.635
Dist. restrs. and SS energy: 0.387 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -317.975743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.975743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.748904 (E_RNA)
where:
Base-Base interactions energy: -209.739
where: short stacking energy: -81.666
Base-Backbone interact. energy: -1.270
local terms energy: -107.740426
where:
bonds (distance) C4'-P energy: -24.113
bonds (distance) P-C4' energy: -25.389
flat angles C4'-P-C4' energy: -19.210
flat angles P-C4'-P energy: -14.395
tors. eta vs tors. theta energy: -24.633
Dist. restrs. and SS energy: 0.773 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -314.528420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.528420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.334612 (E_RNA)
where:
Base-Base interactions energy: -214.060
where: short stacking energy: -89.124
Base-Backbone interact. energy: -0.183
local terms energy: -101.091169
where:
bonds (distance) C4'-P energy: -20.905
bonds (distance) P-C4' energy: -26.548
flat angles C4'-P-C4' energy: -23.354
flat angles P-C4'-P energy: -12.189
tors. eta vs tors. theta energy: -18.095
Dist. restrs. and SS energy: 0.806 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -419.784543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.784543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.889744 (E_RNA)
where:
Base-Base interactions energy: -281.854
where: short stacking energy: -115.098
Base-Backbone interact. energy: -0.801
local terms energy: -137.234506
where:
bonds (distance) C4'-P energy: -26.518
bonds (distance) P-C4' energy: -29.506
flat angles C4'-P-C4' energy: -29.843
flat angles P-C4'-P energy: -18.837
tors. eta vs tors. theta energy: -32.530
Dist. restrs. and SS energy: 0.105 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -428.454506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.454506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.491297 (E_RNA)
where:
Base-Base interactions energy: -295.853
where: short stacking energy: -115.934
Base-Backbone interact. energy: -0.478
local terms energy: -132.160417
where:
bonds (distance) C4'-P energy: -21.672
bonds (distance) P-C4' energy: -29.156
flat angles C4'-P-C4' energy: -29.251
flat angles P-C4'-P energy: -18.165
tors. eta vs tors. theta energy: -33.917
Dist. restrs. and SS energy: 0.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -409.296649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.296649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.614546 (E_RNA)
where:
Base-Base interactions energy: -272.545
where: short stacking energy: -108.170
Base-Backbone interact. energy: 1.445
local terms energy: -138.514577
where:
bonds (distance) C4'-P energy: -28.346
bonds (distance) P-C4' energy: -22.720
flat angles C4'-P-C4' energy: -33.645
flat angles P-C4'-P energy: -22.200
tors. eta vs tors. theta energy: -31.604
Dist. restrs. and SS energy: 0.318 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -383.201422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.201422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.948911 (E_RNA)
where:
Base-Base interactions energy: -261.118
where: short stacking energy: -108.920
Base-Backbone interact. energy: -0.115
local terms energy: -122.716247
where:
bonds (distance) C4'-P energy: -21.832
bonds (distance) P-C4' energy: -24.431
flat angles C4'-P-C4' energy: -27.496
flat angles P-C4'-P energy: -19.965
tors. eta vs tors. theta energy: -28.992
Dist. restrs. and SS energy: 0.747 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -358.904690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.904690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.047980 (E_RNA)
where:
Base-Base interactions energy: -238.076
where: short stacking energy: -88.182
Base-Backbone interact. energy: -0.136
local terms energy: -120.836286
where:
bonds (distance) C4'-P energy: -26.314
bonds (distance) P-C4' energy: -29.628
flat angles C4'-P-C4' energy: -22.637
flat angles P-C4'-P energy: -17.393
tors. eta vs tors. theta energy: -24.864
Dist. restrs. and SS energy: 0.143 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -360.872878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.872878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.938213 (E_RNA)
where:
Base-Base interactions energy: -243.141
where: short stacking energy: -102.968
Base-Backbone interact. energy: -1.223
local terms energy: -116.574350
where:
bonds (distance) C4'-P energy: -22.412
bonds (distance) P-C4' energy: -28.617
flat angles C4'-P-C4' energy: -23.836
flat angles P-C4'-P energy: -13.786
tors. eta vs tors. theta energy: -27.924
Dist. restrs. and SS energy: 0.065 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -362.525365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.525365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.654967 (E_RNA)
where:
Base-Base interactions energy: -233.359
where: short stacking energy: -95.717
Base-Backbone interact. energy: -0.418
local terms energy: -128.877860
where:
bonds (distance) C4'-P energy: -24.781
bonds (distance) P-C4' energy: -26.380
flat angles C4'-P-C4' energy: -26.757
flat angles P-C4'-P energy: -20.935
tors. eta vs tors. theta energy: -30.024
Dist. restrs. and SS energy: 0.130 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -353.186733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.186733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.407105 (E_RNA)
where:
Base-Base interactions energy: -243.460
where: short stacking energy: -103.989
Base-Backbone interact. energy: -0.312
local terms energy: -109.635006
where:
bonds (distance) C4'-P energy: -15.890
bonds (distance) P-C4' energy: -23.598
flat angles C4'-P-C4' energy: -27.863
flat angles P-C4'-P energy: -11.293
tors. eta vs tors. theta energy: -30.991
Dist. restrs. and SS energy: 0.220 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -321.154115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.154115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.902398 (E_RNA)
where:
Base-Base interactions energy: -215.097
where: short stacking energy: -80.636
Base-Backbone interact. energy: 0.255
local terms energy: -107.059977
where:
bonds (distance) C4'-P energy: -22.082
bonds (distance) P-C4' energy: -25.525
flat angles C4'-P-C4' energy: -23.254
flat angles P-C4'-P energy: -12.758
tors. eta vs tors. theta energy: -23.441
Dist. restrs. and SS energy: 0.748 (S_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: 131
Temperature: 1.350000
Total energy: -327.995425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.995425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.356090 (E_RNA)
where:
Base-Base interactions energy: -226.911
where: short stacking energy: -81.613
Base-Backbone interact. energy: -0.593
local terms energy: -100.851748
where:
bonds (distance) C4'-P energy: -14.350
bonds (distance) P-C4' energy: -23.845
flat angles C4'-P-C4' energy: -21.524
flat angles P-C4'-P energy: -19.031
tors. eta vs tors. theta energy: -22.102
Dist. restrs. and SS energy: 0.361 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -433.198204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.198204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.257296 (E_RNA)
where:
Base-Base interactions energy: -300.552
where: short stacking energy: -105.446
Base-Backbone interact. energy: 0.109
local terms energy: -132.814653
where:
bonds (distance) C4'-P energy: -27.604
bonds (distance) P-C4' energy: -24.079
flat angles C4'-P-C4' energy: -26.532
flat angles P-C4'-P energy: -21.643
tors. eta vs tors. theta energy: -32.957
Dist. restrs. and SS energy: 0.059 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -416.751561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.751561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.720361 (E_RNA)
where:
Base-Base interactions energy: -288.903
where: short stacking energy: -116.888
Base-Backbone interact. energy: 0.955
local terms energy: -129.771905
where:
bonds (distance) C4'-P energy: -20.525
bonds (distance) P-C4' energy: -27.548
flat angles C4'-P-C4' energy: -31.135
flat angles P-C4'-P energy: -17.152
tors. eta vs tors. theta energy: -33.412
Dist. restrs. and SS energy: 0.969 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -392.750534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.750534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.396689 (E_RNA)
where:
Base-Base interactions energy: -264.839
where: short stacking energy: -104.310
Base-Backbone interact. energy: -0.412
local terms energy: -128.145922
where:
bonds (distance) C4'-P energy: -24.565
bonds (distance) P-C4' energy: -31.171
flat angles C4'-P-C4' energy: -29.223
flat angles P-C4'-P energy: -15.724
tors. eta vs tors. theta energy: -27.461
Dist. restrs. and SS energy: 0.646 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -391.257337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.257337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.326694 (E_RNA)
where:
Base-Base interactions energy: -268.452
where: short stacking energy: -100.660
Base-Backbone interact. energy: -0.118
local terms energy: -122.756655
where:
bonds (distance) C4'-P energy: -23.724
bonds (distance) P-C4' energy: -29.054
flat angles C4'-P-C4' energy: -30.149
flat angles P-C4'-P energy: -12.806
tors. eta vs tors. theta energy: -27.024
Dist. restrs. and SS energy: 0.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -368.052529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.052529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.178904 (E_RNA)
where:
Base-Base interactions energy: -243.057
where: short stacking energy: -100.311
Base-Backbone interact. energy: -0.293
local terms energy: -124.829666
where:
bonds (distance) C4'-P energy: -28.966
bonds (distance) P-C4' energy: -21.843
flat angles C4'-P-C4' energy: -28.846
flat angles P-C4'-P energy: -13.507
tors. eta vs tors. theta energy: -31.668
Dist. restrs. and SS energy: 0.126 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -370.251715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.251715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.608009 (E_RNA)
where:
Base-Base interactions energy: -245.826
where: short stacking energy: -107.007
Base-Backbone interact. energy: -0.718
local terms energy: -124.063584
where:
bonds (distance) C4'-P energy: -24.951
bonds (distance) P-C4' energy: -25.135
flat angles C4'-P-C4' energy: -28.338
flat angles P-C4'-P energy: -17.210
tors. eta vs tors. theta energy: -28.430
Dist. restrs. and SS energy: 0.356 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -350.814067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.814067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.504926 (E_RNA)
where:
Base-Base interactions energy: -238.336
where: short stacking energy: -99.079
Base-Backbone interact. energy: 2.091
local terms energy: -115.259695
where:
bonds (distance) C4'-P energy: -18.872
bonds (distance) P-C4' energy: -25.814
flat angles C4'-P-C4' energy: -27.379
flat angles P-C4'-P energy: -18.962
tors. eta vs tors. theta energy: -24.233
Dist. restrs. and SS energy: 0.691 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -359.620639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.620639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.841109 (E_RNA)
where:
Base-Base interactions energy: -250.476
where: short stacking energy: -108.579
Base-Backbone interact. energy: -0.837
local terms energy: -108.528818
where:
bonds (distance) C4'-P energy: -10.068
bonds (distance) P-C4' energy: -25.999
flat angles C4'-P-C4' energy: -26.812
flat angles P-C4'-P energy: -15.830
tors. eta vs tors. theta energy: -29.820
Dist. restrs. and SS energy: 0.220 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -333.822109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.822109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.151412 (E_RNA)
where:
Base-Base interactions energy: -228.150
where: short stacking energy: -98.038
Base-Backbone interact. energy: 1.540
local terms energy: -107.541474
where:
bonds (distance) C4'-P energy: -21.774
bonds (distance) P-C4' energy: -19.266
flat angles C4'-P-C4' energy: -28.878
flat angles P-C4'-P energy: -15.940
tors. eta vs tors. theta energy: -21.684
Dist. restrs. and SS energy: 0.329 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -329.765702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.765702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.326327 (E_RNA)
where:
Base-Base interactions energy: -219.786
where: short stacking energy: -84.495
Base-Backbone interact. energy: -0.875
local terms energy: -109.665415
where:
bonds (distance) C4'-P energy: -26.701
bonds (distance) P-C4' energy: -23.743
flat angles C4'-P-C4' energy: -27.026
flat angles P-C4'-P energy: -11.499
tors. eta vs tors. theta energy: -20.698
Dist. restrs. and SS energy: 0.561 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -444.454189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.454189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.877651 (E_RNA)
where:
Base-Base interactions energy: -305.112
where: short stacking energy: -113.989
Base-Backbone interact. energy: -0.846
local terms energy: -138.919523
where:
bonds (distance) C4'-P energy: -29.650
bonds (distance) P-C4' energy: -29.579
flat angles C4'-P-C4' energy: -30.694
flat angles P-C4'-P energy: -14.100
tors. eta vs tors. theta energy: -34.896
Dist. restrs. and SS energy: 0.423 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -428.469724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.469724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.014959 (E_RNA)
where:
Base-Base interactions energy: -295.208
where: short stacking energy: -110.938
Base-Backbone interact. energy: -0.438
local terms energy: -133.369557
where:
bonds (distance) C4'-P energy: -31.006
bonds (distance) P-C4' energy: -26.621
flat angles C4'-P-C4' energy: -25.618
flat angles P-C4'-P energy: -21.964
tors. eta vs tors. theta energy: -28.161
Dist. restrs. and SS energy: 0.545 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -398.359534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.359534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.592295 (E_RNA)
where:
Base-Base interactions energy: -261.914
where: short stacking energy: -102.205
Base-Backbone interact. energy: -1.801
local terms energy: -134.877568
where:
bonds (distance) C4'-P energy: -27.873
bonds (distance) P-C4' energy: -29.756
flat angles C4'-P-C4' energy: -27.310
flat angles P-C4'-P energy: -20.963
tors. eta vs tors. theta energy: -28.975
Dist. restrs. and SS energy: 0.233 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -390.703796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.703796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.785850 (E_RNA)
where:
Base-Base interactions energy: -257.116
where: short stacking energy: -109.180
Base-Backbone interact. energy: -0.218
local terms energy: -133.451737
where:
bonds (distance) C4'-P energy: -28.886
bonds (distance) P-C4' energy: -26.836
flat angles C4'-P-C4' energy: -26.818
flat angles P-C4'-P energy: -21.899
tors. eta vs tors. theta energy: -29.013
Dist. restrs. and SS energy: 0.082 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -396.210682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.210682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.513977 (E_RNA)
where:
Base-Base interactions energy: -264.280
where: short stacking energy: -105.002
Base-Backbone interact. energy: -0.974
local terms energy: -131.259229
where:
bonds (distance) C4'-P energy: -28.672
bonds (distance) P-C4' energy: -28.935
flat angles C4'-P-C4' energy: -24.516
flat angles P-C4'-P energy: -18.989
tors. eta vs tors. theta energy: -30.148
Dist. restrs. and SS energy: 0.303 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -368.573442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.573442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.657370 (E_RNA)
where:
Base-Base interactions energy: -241.985
where: short stacking energy: -101.663
Base-Backbone interact. energy: -0.278
local terms energy: -126.393837
where:
bonds (distance) C4'-P energy: -25.008
bonds (distance) P-C4' energy: -27.790
flat angles C4'-P-C4' energy: -29.034
flat angles P-C4'-P energy: -16.053
tors. eta vs tors. theta energy: -28.509
Dist. restrs. and SS energy: 0.084 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -345.534006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.534006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.744532 (E_RNA)
where:
Base-Base interactions energy: -231.239
where: short stacking energy: -92.357
Base-Backbone interact. energy: 0.187
local terms energy: -114.692257
where:
bonds (distance) C4'-P energy: -29.611
bonds (distance) P-C4' energy: -17.143
flat angles C4'-P-C4' energy: -26.542
flat angles P-C4'-P energy: -17.440
tors. eta vs tors. theta energy: -23.957
Dist. restrs. and SS energy: 0.211 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -339.177911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.177911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.373234 (E_RNA)
where:
Base-Base interactions energy: -226.363
where: short stacking energy: -89.801
Base-Backbone interact. energy: 0.429
local terms energy: -113.438849
where:
bonds (distance) C4'-P energy: -23.384
bonds (distance) P-C4' energy: -18.587
flat angles C4'-P-C4' energy: -29.975
flat angles P-C4'-P energy: -16.374
tors. eta vs tors. theta energy: -25.119
Dist. restrs. and SS energy: 0.195 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -343.868306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.868306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.292423 (E_RNA)
where:
Base-Base interactions energy: -220.769
where: short stacking energy: -87.096
Base-Backbone interact. energy: -0.958
local terms energy: -122.565655
where:
bonds (distance) C4'-P energy: -22.792
bonds (distance) P-C4' energy: -24.510
flat angles C4'-P-C4' energy: -27.580
flat angles P-C4'-P energy: -21.173
tors. eta vs tors. theta energy: -26.510
Dist. restrs. and SS energy: 0.424 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -339.311715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.311715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.497330 (E_RNA)
where:
Base-Base interactions energy: -221.943
where: short stacking energy: -92.244
Base-Backbone interact. energy: 0.248
local terms energy: -119.801819
where:
bonds (distance) C4'-P energy: -16.597
bonds (distance) P-C4' energy: -30.323
flat angles C4'-P-C4' energy: -24.283
flat angles P-C4'-P energy: -22.824
tors. eta vs tors. theta energy: -25.775
Dist. restrs. and SS energy: 2.186 (S_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: 134
Temperature: 0.900000
Total energy: -440.760558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.760558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.023215 (E_RNA)
where:
Base-Base interactions energy: -316.356
where: short stacking energy: -116.746
Base-Backbone interact. energy: -1.020
local terms energy: -123.648037
where:
bonds (distance) C4'-P energy: -25.692
bonds (distance) P-C4' energy: -28.459
flat angles C4'-P-C4' energy: -27.061
flat angles P-C4'-P energy: -14.856
tors. eta vs tors. theta energy: -27.580
Dist. restrs. and SS energy: 0.263 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -413.918275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.918275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.267393 (E_RNA)
where:
Base-Base interactions energy: -277.291
where: short stacking energy: -110.922
Base-Backbone interact. energy: -0.724
local terms energy: -136.252573
where:
bonds (distance) C4'-P energy: -32.337
bonds (distance) P-C4' energy: -27.791
flat angles C4'-P-C4' energy: -28.698
flat angles P-C4'-P energy: -16.059
tors. eta vs tors. theta energy: -31.368
Dist. restrs. and SS energy: 0.349 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -394.268354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.268354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.512098 (E_RNA)
where:
Base-Base interactions energy: -263.258
where: short stacking energy: -116.926
Base-Backbone interact. energy: -0.295
local terms energy: -130.959151
where:
bonds (distance) C4'-P energy: -23.500
bonds (distance) P-C4' energy: -28.835
flat angles C4'-P-C4' energy: -27.374
flat angles P-C4'-P energy: -19.553
tors. eta vs tors. theta energy: -31.697
Dist. restrs. and SS energy: 0.244 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -396.845100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.845100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.969905 (E_RNA)
where:
Base-Base interactions energy: -264.824
where: short stacking energy: -105.104
Base-Backbone interact. energy: -0.597
local terms energy: -131.548757
where:
bonds (distance) C4'-P energy: -19.585
bonds (distance) P-C4' energy: -29.018
flat angles C4'-P-C4' energy: -29.967
flat angles P-C4'-P energy: -21.819
tors. eta vs tors. theta energy: -31.159
Dist. restrs. and SS energy: 0.125 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -395.169038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.169038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.200685 (E_RNA)
where:
Base-Base interactions energy: -270.731
where: short stacking energy: -108.141
Base-Backbone interact. energy: -0.222
local terms energy: -124.247901
where:
bonds (distance) C4'-P energy: -22.119
bonds (distance) P-C4' energy: -30.243
flat angles C4'-P-C4' energy: -24.698
flat angles P-C4'-P energy: -21.568
tors. eta vs tors. theta energy: -25.619
Dist. restrs. and SS energy: 0.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -365.449723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.449723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.683213 (E_RNA)
where:
Base-Base interactions energy: -247.653
where: short stacking energy: -95.496
Base-Backbone interact. energy: -1.288
local terms energy: -116.743001
where:
bonds (distance) C4'-P energy: -21.416
bonds (distance) P-C4' energy: -25.606
flat angles C4'-P-C4' energy: -27.584
flat angles P-C4'-P energy: -17.759
tors. eta vs tors. theta energy: -24.378
Dist. restrs. and SS energy: 0.233 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -342.638822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.638822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.505124 (E_RNA)
where:
Base-Base interactions energy: -217.785
where: short stacking energy: -90.159
Base-Backbone interact. energy: -0.699
local terms energy: -125.021312
where:
bonds (distance) C4'-P energy: -29.125
bonds (distance) P-C4' energy: -31.546
flat angles C4'-P-C4' energy: -22.936
flat angles P-C4'-P energy: -16.655
tors. eta vs tors. theta energy: -24.759
Dist. restrs. and SS energy: 0.866 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -360.291501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.291501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.341991 (E_RNA)
where:
Base-Base interactions energy: -246.890
where: short stacking energy: -102.455
Base-Backbone interact. energy: -0.785
local terms energy: -112.667478
where:
bonds (distance) C4'-P energy: -17.723
bonds (distance) P-C4' energy: -26.335
flat angles C4'-P-C4' energy: -31.071
flat angles P-C4'-P energy: -10.085
tors. eta vs tors. theta energy: -27.453
Dist. restrs. and SS energy: 0.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -331.042069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.042069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.635655 (E_RNA)
where:
Base-Base interactions energy: -216.566
where: short stacking energy: -93.998
Base-Backbone interact. energy: -0.493
local terms energy: -114.576414
where:
bonds (distance) C4'-P energy: -19.171
bonds (distance) P-C4' energy: -24.302
flat angles C4'-P-C4' energy: -29.516
flat angles P-C4'-P energy: -18.695
tors. eta vs tors. theta energy: -22.892
Dist. restrs. and SS energy: 0.594 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -337.574154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.574154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.366619 (E_RNA)
where:
Base-Base interactions energy: -225.969
where: short stacking energy: -86.231
Base-Backbone interact. energy: 1.109
local terms energy: -113.507185
where:
bonds (distance) C4'-P energy: -22.814
bonds (distance) P-C4' energy: -29.474
flat angles C4'-P-C4' energy: -23.780
flat angles P-C4'-P energy: -12.737
tors. eta vs tors. theta energy: -24.702
Dist. restrs. and SS energy: 0.792 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -434.332908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.332908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.770649 (E_RNA)
where:
Base-Base interactions energy: -301.667
where: short stacking energy: -121.688
Base-Backbone interact. energy: -0.551
local terms energy: -132.552898
where:
bonds (distance) C4'-P energy: -27.540
bonds (distance) P-C4' energy: -26.087
flat angles C4'-P-C4' energy: -29.993
flat angles P-C4'-P energy: -17.031
tors. eta vs tors. theta energy: -31.902
Dist. restrs. and SS energy: 0.438 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -397.126173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.126173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.126173 (E_RNA)
where:
Base-Base interactions energy: -261.046
where: short stacking energy: -109.733
Base-Backbone interact. energy: -1.329
local terms energy: -134.751551
where:
bonds (distance) C4'-P energy: -28.320
bonds (distance) P-C4' energy: -28.078
flat angles C4'-P-C4' energy: -28.103
flat angles P-C4'-P energy: -19.146
tors. eta vs tors. theta energy: -31.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -424.871874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.871874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.206905 (E_RNA)
where:
Base-Base interactions energy: -298.226
where: short stacking energy: -106.122
Base-Backbone interact. energy: -1.133
local terms energy: -125.847203
where:
bonds (distance) C4'-P energy: -26.470
bonds (distance) P-C4' energy: -23.299
flat angles C4'-P-C4' energy: -25.980
flat angles P-C4'-P energy: -15.797
tors. eta vs tors. theta energy: -34.301
Dist. restrs. and SS energy: 0.335 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -389.360905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.360905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.497791 (E_RNA)
where:
Base-Base interactions energy: -270.132
where: short stacking energy: -98.315
Base-Backbone interact. energy: -0.387
local terms energy: -118.978222
where:
bonds (distance) C4'-P energy: -20.495
bonds (distance) P-C4' energy: -21.792
flat angles C4'-P-C4' energy: -25.205
flat angles P-C4'-P energy: -22.731
tors. eta vs tors. theta energy: -28.755
Dist. restrs. and SS energy: 0.137 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -383.356810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.356810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.551257 (E_RNA)
where:
Base-Base interactions energy: -255.788
where: short stacking energy: -109.299
Base-Backbone interact. energy: -0.428
local terms energy: -128.335340
where:
bonds (distance) C4'-P energy: -25.708
bonds (distance) P-C4' energy: -29.735
flat angles C4'-P-C4' energy: -31.467
flat angles P-C4'-P energy: -12.135
tors. eta vs tors. theta energy: -29.291
Dist. restrs. and SS energy: 1.194 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -365.377200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.377200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.594042 (E_RNA)
where:
Base-Base interactions energy: -252.448
where: short stacking energy: -109.274
Base-Backbone interact. energy: 0.205
local terms energy: -113.351140
where:
bonds (distance) C4'-P energy: -25.257
bonds (distance) P-C4' energy: -19.126
flat angles C4'-P-C4' energy: -23.928
flat angles P-C4'-P energy: -14.835
tors. eta vs tors. theta energy: -30.205
Dist. restrs. and SS energy: 0.217 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -337.857536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.857536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.978646 (E_RNA)
where:
Base-Base interactions energy: -228.891
where: short stacking energy: -90.612
Base-Backbone interact. energy: -0.179
local terms energy: -108.908102
where:
bonds (distance) C4'-P energy: -19.728
bonds (distance) P-C4' energy: -22.730
flat angles C4'-P-C4' energy: -26.823
flat angles P-C4'-P energy: -13.886
tors. eta vs tors. theta energy: -25.741
Dist. restrs. and SS energy: 0.121 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -331.302386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.302386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.466257 (E_RNA)
where:
Base-Base interactions energy: -213.880
where: short stacking energy: -78.936
Base-Backbone interact. energy: 0.323
local terms energy: -117.909450
where:
bonds (distance) C4'-P energy: -21.862
bonds (distance) P-C4' energy: -29.681
flat angles C4'-P-C4' energy: -28.525
flat angles P-C4'-P energy: -16.138
tors. eta vs tors. theta energy: -21.704
Dist. restrs. and SS energy: 0.164 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -330.560844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.560844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.838770 (E_RNA)
where:
Base-Base interactions energy: -213.749
where: short stacking energy: -82.182
Base-Backbone interact. energy: -0.262
local terms energy: -116.827901
where:
bonds (distance) C4'-P energy: -24.079
bonds (distance) P-C4' energy: -18.969
flat angles C4'-P-C4' energy: -26.591
flat angles P-C4'-P energy: -21.967
tors. eta vs tors. theta energy: -25.222
Dist. restrs. and SS energy: 0.278 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -316.818338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.818338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.361352 (E_RNA)
where:
Base-Base interactions energy: -213.384
where: short stacking energy: -78.523
Base-Backbone interact. energy: -0.184
local terms energy: -103.792925
where:
bonds (distance) C4'-P energy: -26.026
bonds (distance) P-C4' energy: -20.221
flat angles C4'-P-C4' energy: -22.125
flat angles P-C4'-P energy: -14.194
tors. eta vs tors. theta energy: -21.226
Dist. restrs. and SS energy: 0.543 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -417.829532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.829532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.032962 (E_RNA)
where:
Base-Base interactions energy: -284.426
where: short stacking energy: -119.731
Base-Backbone interact. energy: -0.653
local terms energy: -132.953343
where:
bonds (distance) C4'-P energy: -25.408
bonds (distance) P-C4' energy: -29.341
flat angles C4'-P-C4' energy: -28.597
flat angles P-C4'-P energy: -12.815
tors. eta vs tors. theta energy: -36.792
Dist. restrs. and SS energy: 0.203 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -430.884542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.884542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.045855 (E_RNA)
where:
Base-Base interactions energy: -295.714
where: short stacking energy: -113.358
Base-Backbone interact. energy: -0.191
local terms energy: -135.140312
where:
bonds (distance) C4'-P energy: -27.653
bonds (distance) P-C4' energy: -24.547
flat angles C4'-P-C4' energy: -28.548
flat angles P-C4'-P energy: -23.434
tors. eta vs tors. theta energy: -30.958
Dist. restrs. and SS energy: 0.161 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -391.501782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.501782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.750333 (E_RNA)
where:
Base-Base interactions energy: -263.044
where: short stacking energy: -99.366
Base-Backbone interact. energy: -1.640
local terms energy: -127.065774
where:
bonds (distance) C4'-P energy: -27.623
bonds (distance) P-C4' energy: -29.340
flat angles C4'-P-C4' energy: -28.686
flat angles P-C4'-P energy: -14.446
tors. eta vs tors. theta energy: -26.971
Dist. restrs. and SS energy: 0.249 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -399.434976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.434976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.633503 (E_RNA)
where:
Base-Base interactions energy: -271.460
where: short stacking energy: -110.569
Base-Backbone interact. energy: -0.701
local terms energy: -127.473142
where:
bonds (distance) C4'-P energy: -23.113
bonds (distance) P-C4' energy: -24.150
flat angles C4'-P-C4' energy: -29.518
flat angles P-C4'-P energy: -20.952
tors. eta vs tors. theta energy: -29.740
Dist. restrs. and SS energy: 0.199 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -389.285912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.285912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.866964 (E_RNA)
where:
Base-Base interactions energy: -269.200
where: short stacking energy: -104.566
Base-Backbone interact. energy: -0.389
local terms energy: -120.278543
where:
bonds (distance) C4'-P energy: -20.526
bonds (distance) P-C4' energy: -29.996
flat angles C4'-P-C4' energy: -22.999
flat angles P-C4'-P energy: -15.805
tors. eta vs tors. theta energy: -30.953
Dist. restrs. and SS energy: 0.581 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -362.546391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.546391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.807859 (E_RNA)
where:
Base-Base interactions energy: -245.390
where: short stacking energy: -95.227
Base-Backbone interact. energy: -0.212
local terms energy: -117.206324
where:
bonds (distance) C4'-P energy: -29.024
bonds (distance) P-C4' energy: -21.996
flat angles C4'-P-C4' energy: -25.259
flat angles P-C4'-P energy: -17.984
tors. eta vs tors. theta energy: -22.943
Dist. restrs. and SS energy: 0.261 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -348.852977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.852977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.254142 (E_RNA)
where:
Base-Base interactions energy: -229.618
where: short stacking energy: -90.928
Base-Backbone interact. energy: 0.025
local terms energy: -119.660892
where:
bonds (distance) C4'-P energy: -25.982
bonds (distance) P-C4' energy: -23.757
flat angles C4'-P-C4' energy: -22.990
flat angles P-C4'-P energy: -20.144
tors. eta vs tors. theta energy: -26.788
Dist. restrs. and SS energy: 0.401 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -342.516566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.516566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.538932 (E_RNA)
where:
Base-Base interactions energy: -226.988
where: short stacking energy: -88.443
Base-Backbone interact. energy: -0.484
local terms energy: -115.066879
where:
bonds (distance) C4'-P energy: -12.575
bonds (distance) P-C4' energy: -26.001
flat angles C4'-P-C4' energy: -30.122
flat angles P-C4'-P energy: -16.350
tors. eta vs tors. theta energy: -30.019
Dist. restrs. and SS energy: 0.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -326.402859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.402859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.233314 (E_RNA)
where:
Base-Base interactions energy: -221.670
where: short stacking energy: -86.945
Base-Backbone interact. energy: -0.218
local terms energy: -105.345501
where:
bonds (distance) C4'-P energy: -22.264
bonds (distance) P-C4' energy: -29.124
flat angles C4'-P-C4' energy: -20.196
flat angles P-C4'-P energy: -11.573
tors. eta vs tors. theta energy: -22.188
Dist. restrs. and SS energy: 0.830 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -317.082010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.082010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.282923 (E_RNA)
where:
Base-Base interactions energy: -217.616
where: short stacking energy: -80.023
Base-Backbone interact. energy: -1.112
local terms energy: -98.555610
where:
bonds (distance) C4'-P energy: -21.427
bonds (distance) P-C4' energy: -21.051
flat angles C4'-P-C4' energy: -20.257
flat angles P-C4'-P energy: -15.440
tors. eta vs tors. theta energy: -20.381
Dist. restrs. and SS energy: 0.201 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -408.847582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.847582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.247092 (E_RNA)
where:
Base-Base interactions energy: -268.866
where: short stacking energy: -108.564
Base-Backbone interact. energy: -1.244
local terms energy: -139.137830
where:
bonds (distance) C4'-P energy: -27.604
bonds (distance) P-C4' energy: -31.329
flat angles C4'-P-C4' energy: -27.014
flat angles P-C4'-P energy: -17.092
tors. eta vs tors. theta energy: -36.099
Dist. restrs. and SS energy: 0.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -400.347841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.347841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.571670 (E_RNA)
where:
Base-Base interactions energy: -271.391
where: short stacking energy: -107.797
Base-Backbone interact. energy: -0.806
local terms energy: -128.374291
where:
bonds (distance) C4'-P energy: -20.486
bonds (distance) P-C4' energy: -26.645
flat angles C4'-P-C4' energy: -27.771
flat angles P-C4'-P energy: -20.774
tors. eta vs tors. theta energy: -32.698
Dist. restrs. and SS energy: 0.224 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -426.525916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.525916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.724422 (E_RNA)
where:
Base-Base interactions energy: -296.451
where: short stacking energy: -112.514
Base-Backbone interact. energy: -0.482
local terms energy: -129.791942
where:
bonds (distance) C4'-P energy: -27.243
bonds (distance) P-C4' energy: -25.443
flat angles C4'-P-C4' energy: -22.003
flat angles P-C4'-P energy: -21.770
tors. eta vs tors. theta energy: -33.332
Dist. restrs. and SS energy: 0.199 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -392.381103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.381103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.686090 (E_RNA)
where:
Base-Base interactions energy: -259.348
where: short stacking energy: -109.782
Base-Backbone interact. energy: -0.317
local terms energy: -133.020493
where:
bonds (distance) C4'-P energy: -24.155
bonds (distance) P-C4' energy: -30.666
flat angles C4'-P-C4' energy: -28.135
flat angles P-C4'-P energy: -16.747
tors. eta vs tors. theta energy: -33.317
Dist. restrs. and SS energy: 0.305 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -397.878461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.878461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.457899 (E_RNA)
where:
Base-Base interactions energy: -261.079
where: short stacking energy: -117.548
Base-Backbone interact. energy: -1.185
local terms energy: -136.194184
where:
bonds (distance) C4'-P energy: -28.059
bonds (distance) P-C4' energy: -31.368
flat angles C4'-P-C4' energy: -25.362
flat angles P-C4'-P energy: -19.588
tors. eta vs tors. theta energy: -31.817
Dist. restrs. and SS energy: 0.579 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -364.963826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.963826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.170336 (E_RNA)
where:
Base-Base interactions energy: -247.930
where: short stacking energy: -101.406
Base-Backbone interact. energy: -0.465
local terms energy: -116.775087
where:
bonds (distance) C4'-P energy: -26.183
bonds (distance) P-C4' energy: -20.659
flat angles C4'-P-C4' energy: -23.058
flat angles P-C4'-P energy: -19.003
tors. eta vs tors. theta energy: -27.872
Dist. restrs. and SS energy: 0.207 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -348.726517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.726517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.044420 (E_RNA)
where:
Base-Base interactions energy: -228.361
where: short stacking energy: -85.128
Base-Backbone interact. energy: -0.686
local terms energy: -119.996996
where:
bonds (distance) C4'-P energy: -27.173
bonds (distance) P-C4' energy: -25.297
flat angles C4'-P-C4' energy: -29.411
flat angles P-C4'-P energy: -16.154
tors. eta vs tors. theta energy: -21.962
Dist. restrs. and SS energy: 0.318 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -336.171183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.171183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.327920 (E_RNA)
where:
Base-Base interactions energy: -233.802
where: short stacking energy: -89.433
Base-Backbone interact. energy: -0.181
local terms energy: -102.344830
where:
bonds (distance) C4'-P energy: -24.646
bonds (distance) P-C4' energy: -16.174
flat angles C4'-P-C4' energy: -26.239
flat angles P-C4'-P energy: -11.608
tors. eta vs tors. theta energy: -23.678
Dist. restrs. and SS energy: 0.157 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -334.906667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.906667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.099059 (E_RNA)
where:
Base-Base interactions energy: -231.685
where: short stacking energy: -87.635
Base-Backbone interact. energy: -0.244
local terms energy: -103.169576
where:
bonds (distance) C4'-P energy: -13.559
bonds (distance) P-C4' energy: -23.796
flat angles C4'-P-C4' energy: -28.324
flat angles P-C4'-P energy: -18.928
tors. eta vs tors. theta energy: -18.562
Dist. restrs. and SS energy: 0.192 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -324.698312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.698312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.861145 (E_RNA)
where:
Base-Base interactions energy: -221.996
where: short stacking energy: -81.284
Base-Backbone interact. energy: -0.764
local terms energy: -102.101461
where:
bonds (distance) C4'-P energy: -21.730
bonds (distance) P-C4' energy: -23.144
flat angles C4'-P-C4' energy: -21.977
flat angles P-C4'-P energy: -14.502
tors. eta vs tors. theta energy: -20.749
Dist. restrs. and SS energy: 0.163 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -411.330455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.330455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.500115 (E_RNA)
where:
Base-Base interactions energy: -275.285
where: short stacking energy: -108.287
Base-Backbone interact. energy: 0.520
local terms energy: -136.734568
where:
bonds (distance) C4'-P energy: -29.159
bonds (distance) P-C4' energy: -29.174
flat angles C4'-P-C4' energy: -27.260
flat angles P-C4'-P energy: -16.840
tors. eta vs tors. theta energy: -34.301
Dist. restrs. and SS energy: 0.170 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -418.355290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.355290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.685820 (E_RNA)
where:
Base-Base interactions energy: -276.630
where: short stacking energy: -118.444
Base-Backbone interact. energy: -1.007
local terms energy: -141.048670
where:
bonds (distance) C4'-P energy: -30.440
bonds (distance) P-C4' energy: -28.463
flat angles C4'-P-C4' energy: -30.248
flat angles P-C4'-P energy: -22.183
tors. eta vs tors. theta energy: -29.714
Dist. restrs. and SS energy: 0.331 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -427.341138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.341138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.508322 (E_RNA)
where:
Base-Base interactions energy: -302.944
where: short stacking energy: -113.627
Base-Backbone interact. energy: 0.106
local terms energy: -124.671021
where:
bonds (distance) C4'-P energy: -26.523
bonds (distance) P-C4' energy: -21.640
flat angles C4'-P-C4' energy: -28.784
flat angles P-C4'-P energy: -21.487
tors. eta vs tors. theta energy: -26.237
Dist. restrs. and SS energy: 0.167 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -399.523975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.523975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.613747 (E_RNA)
where:
Base-Base interactions energy: -269.628
where: short stacking energy: -104.991
Base-Backbone interact. energy: -2.037
local terms energy: -127.947906
where:
bonds (distance) C4'-P energy: -28.039
bonds (distance) P-C4' energy: -23.810
flat angles C4'-P-C4' energy: -25.308
flat angles P-C4'-P energy: -22.487
tors. eta vs tors. theta energy: -28.303
Dist. restrs. and SS energy: 0.090 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -360.616297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.616297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.405794 (E_RNA)
where:
Base-Base interactions energy: -236.457
where: short stacking energy: -100.692
Base-Backbone interact. energy: -0.293
local terms energy: -124.656228
where:
bonds (distance) C4'-P energy: -22.990
bonds (distance) P-C4' energy: -28.129
flat angles C4'-P-C4' energy: -29.612
flat angles P-C4'-P energy: -19.107
tors. eta vs tors. theta energy: -24.818
Dist. restrs. and SS energy: 0.789 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -375.560134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.560134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.668179 (E_RNA)
where:
Base-Base interactions energy: -245.860
where: short stacking energy: -106.663
Base-Backbone interact. energy: -0.244
local terms energy: -129.564212
where:
bonds (distance) C4'-P energy: -23.994
bonds (distance) P-C4' energy: -30.309
flat angles C4'-P-C4' energy: -23.770
flat angles P-C4'-P energy: -18.125
tors. eta vs tors. theta energy: -33.366
Dist. restrs. and SS energy: 0.108 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -347.403883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.403883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.657773 (E_RNA)
where:
Base-Base interactions energy: -230.015
where: short stacking energy: -90.850
Base-Backbone interact. energy: -1.171
local terms energy: -116.471879
where:
bonds (distance) C4'-P energy: -19.405
bonds (distance) P-C4' energy: -29.188
flat angles C4'-P-C4' energy: -27.823
flat angles P-C4'-P energy: -15.240
tors. eta vs tors. theta energy: -24.816
Dist. restrs. and SS energy: 0.254 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -343.528608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.528608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.708866 (E_RNA)
where:
Base-Base interactions energy: -234.862
where: short stacking energy: -89.249
Base-Backbone interact. energy: 0.584
local terms energy: -109.430978
where:
bonds (distance) C4'-P energy: -21.135
bonds (distance) P-C4' energy: -24.081
flat angles C4'-P-C4' energy: -26.206
flat angles P-C4'-P energy: -13.088
tors. eta vs tors. theta energy: -24.922
Dist. restrs. and SS energy: 0.180 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -326.513851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.513851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.742842 (E_RNA)
where:
Base-Base interactions energy: -216.479
where: short stacking energy: -82.226
Base-Backbone interact. energy: -0.425
local terms energy: -109.839486
where:
bonds (distance) C4'-P energy: -24.478
bonds (distance) P-C4' energy: -19.099
flat angles C4'-P-C4' energy: -18.268
flat angles P-C4'-P energy: -22.580
tors. eta vs tors. theta energy: -25.414
Dist. restrs. and SS energy: 0.229 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -321.625933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.625933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.097730 (E_RNA)
where:
Base-Base interactions energy: -215.421
where: short stacking energy: -85.002
Base-Backbone interact. energy: -0.404
local terms energy: -106.272548
where:
bonds (distance) C4'-P energy: -20.162
bonds (distance) P-C4' energy: -17.507
flat angles C4'-P-C4' energy: -28.270
flat angles P-C4'-P energy: -21.360
tors. eta vs tors. theta energy: -18.975
Dist. restrs. and SS energy: 0.472 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -414.490570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.490570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.651060 (E_RNA)
where:
Base-Base interactions energy: -272.450
where: short stacking energy: -121.232
Base-Backbone interact. energy: -1.205
local terms energy: -140.995938
where:
bonds (distance) C4'-P energy: -25.755
bonds (distance) P-C4' energy: -30.688
flat angles C4'-P-C4' energy: -31.205
flat angles P-C4'-P energy: -15.947
tors. eta vs tors. theta energy: -37.401
Dist. restrs. and SS energy: 0.160 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -435.595768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.595768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.052149 (E_RNA)
where:
Base-Base interactions energy: -304.658
where: short stacking energy: -106.988
Base-Backbone interact. energy: -0.379
local terms energy: -131.014952
where:
bonds (distance) C4'-P energy: -29.681
bonds (distance) P-C4' energy: -28.342
flat angles C4'-P-C4' energy: -25.399
flat angles P-C4'-P energy: -19.696
tors. eta vs tors. theta energy: -27.897
Dist. restrs. and SS energy: 0.456 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -403.171427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.171427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.448221 (E_RNA)
where:
Base-Base interactions energy: -277.946
where: short stacking energy: -110.261
Base-Backbone interact. energy: -1.035
local terms energy: -124.467192
where:
bonds (distance) C4'-P energy: -19.780
bonds (distance) P-C4' energy: -25.369
flat angles C4'-P-C4' energy: -30.085
flat angles P-C4'-P energy: -17.049
tors. eta vs tors. theta energy: -32.186
Dist. restrs. and SS energy: 0.277 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -398.281055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.281055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.386612 (E_RNA)
where:
Base-Base interactions energy: -274.762
where: short stacking energy: -107.630
Base-Backbone interact. energy: 2.490
local terms energy: -126.115040
where:
bonds (distance) C4'-P energy: -26.021
bonds (distance) P-C4' energy: -24.460
flat angles C4'-P-C4' energy: -27.680
flat angles P-C4'-P energy: -20.103
tors. eta vs tors. theta energy: -27.851
Dist. restrs. and SS energy: 0.106 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -375.417698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.417698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.392558 (E_RNA)
where:
Base-Base interactions energy: -254.897
where: short stacking energy: -111.670
Base-Backbone interact. energy: -0.138
local terms energy: -121.357215
where:
bonds (distance) C4'-P energy: -25.964
bonds (distance) P-C4' energy: -23.862
flat angles C4'-P-C4' energy: -26.093
flat angles P-C4'-P energy: -11.973
tors. eta vs tors. theta energy: -33.465
Dist. restrs. and SS energy: 0.975 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -368.350094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.350094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.437193 (E_RNA)
where:
Base-Base interactions energy: -247.753
where: short stacking energy: -100.161
Base-Backbone interact. energy: 0.423
local terms energy: -121.107259
where:
bonds (distance) C4'-P energy: -23.970
bonds (distance) P-C4' energy: -27.718
flat angles C4'-P-C4' energy: -25.838
flat angles P-C4'-P energy: -14.843
tors. eta vs tors. theta energy: -28.740
Dist. restrs. and SS energy: 0.087 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -344.303103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.303103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.328776 (E_RNA)
where:
Base-Base interactions energy: -222.813
where: short stacking energy: -94.706
Base-Backbone interact. energy: -0.020
local terms energy: -122.495152
where:
bonds (distance) C4'-P energy: -20.420
bonds (distance) P-C4' energy: -32.214
flat angles C4'-P-C4' energy: -26.642
flat angles P-C4'-P energy: -15.246
tors. eta vs tors. theta energy: -27.974
Dist. restrs. and SS energy: 1.026 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -333.952098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.952098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.180581 (E_RNA)
where:
Base-Base interactions energy: -228.039
where: short stacking energy: -95.044
Base-Backbone interact. energy: -0.909
local terms energy: -105.233132
where:
bonds (distance) C4'-P energy: -21.564
bonds (distance) P-C4' energy: -29.357
flat angles C4'-P-C4' energy: -18.248
flat angles P-C4'-P energy: -15.776
tors. eta vs tors. theta energy: -20.289
Dist. restrs. and SS energy: 0.228 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -340.229623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.229623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.493656 (E_RNA)
where:
Base-Base interactions energy: -225.466
where: short stacking energy: -90.597
Base-Backbone interact. energy: -1.267
local terms energy: -113.760533
where:
bonds (distance) C4'-P energy: -23.405
bonds (distance) P-C4' energy: -24.998
flat angles C4'-P-C4' energy: -24.599
flat angles P-C4'-P energy: -13.563
tors. eta vs tors. theta energy: -27.195
Dist. restrs. and SS energy: 0.264 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -318.085749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.085749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.468001 (E_RNA)
where:
Base-Base interactions energy: -208.942
where: short stacking energy: -89.964
Base-Backbone interact. energy: -0.545
local terms energy: -108.980672
where:
bonds (distance) C4'-P energy: -23.526
bonds (distance) P-C4' energy: -25.027
flat angles C4'-P-C4' energy: -24.883
flat angles P-C4'-P energy: -14.139
tors. eta vs tors. theta energy: -21.405
Dist. restrs. and SS energy: 0.382 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -448.010102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.010102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.628969 (E_RNA)
where:
Base-Base interactions energy: -315.840
where: short stacking energy: -117.107
Base-Backbone interact. energy: -0.352
local terms energy: -132.437017
where:
bonds (distance) C4'-P energy: -26.147
bonds (distance) P-C4' energy: -29.251
flat angles C4'-P-C4' energy: -26.674
flat angles P-C4'-P energy: -17.430
tors. eta vs tors. theta energy: -32.934
Dist. restrs. and SS energy: 0.619 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -395.085481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.085481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.346755 (E_RNA)
where:
Base-Base interactions energy: -255.944
where: short stacking energy: -107.491
Base-Backbone interact. energy: -0.868
local terms energy: -138.534358
where:
bonds (distance) C4'-P energy: -19.813
bonds (distance) P-C4' energy: -35.620
flat angles C4'-P-C4' energy: -27.461
flat angles P-C4'-P energy: -21.680
tors. eta vs tors. theta energy: -33.960
Dist. restrs. and SS energy: 0.261 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -397.424246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.424246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.596621 (E_RNA)
where:
Base-Base interactions energy: -258.485
where: short stacking energy: -106.628
Base-Backbone interact. energy: -0.173
local terms energy: -138.938520
where:
bonds (distance) C4'-P energy: -30.170
bonds (distance) P-C4' energy: -26.659
flat angles C4'-P-C4' energy: -32.374
flat angles P-C4'-P energy: -18.176
tors. eta vs tors. theta energy: -31.559
Dist. restrs. and SS energy: 0.172 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -403.432456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.432456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.744990 (E_RNA)
where:
Base-Base interactions energy: -272.537
where: short stacking energy: -110.235
Base-Backbone interact. energy: -0.124
local terms energy: -131.084010
where:
bonds (distance) C4'-P energy: -28.602
bonds (distance) P-C4' energy: -25.792
flat angles C4'-P-C4' energy: -28.814
flat angles P-C4'-P energy: -17.761
tors. eta vs tors. theta energy: -30.115
Dist. restrs. and SS energy: 0.313 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -371.731079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.731079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.735381 (E_RNA)
where:
Base-Base interactions energy: -251.810
where: short stacking energy: -103.589
Base-Backbone interact. energy: 0.265
local terms energy: -120.190366
where:
bonds (distance) C4'-P energy: -23.319
bonds (distance) P-C4' energy: -28.027
flat angles C4'-P-C4' energy: -27.302
flat angles P-C4'-P energy: -15.269
tors. eta vs tors. theta energy: -26.274
Dist. restrs. and SS energy: 0.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -373.324090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.324090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.392210 (E_RNA)
where:
Base-Base interactions energy: -247.956
where: short stacking energy: -106.978
Base-Backbone interact. energy: -0.485
local terms energy: -124.950949
where:
bonds (distance) C4'-P energy: -23.059
bonds (distance) P-C4' energy: -21.097
flat angles C4'-P-C4' energy: -27.642
flat angles P-C4'-P energy: -16.870
tors. eta vs tors. theta energy: -36.283
Dist. restrs. and SS energy: 0.068 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -344.228124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.228124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.260200 (E_RNA)
where:
Base-Base interactions energy: -249.902
where: short stacking energy: -82.560
Base-Backbone interact. energy: 0.738
local terms energy: -95.096648
where:
bonds (distance) C4'-P energy: -21.464
bonds (distance) P-C4' energy: -26.348
flat angles C4'-P-C4' energy: -13.294
flat angles P-C4'-P energy: -13.640
tors. eta vs tors. theta energy: -20.350
Dist. restrs. and SS energy: 0.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -320.960068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.960068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.280629 (E_RNA)
where:
Base-Base interactions energy: -215.689
where: short stacking energy: -88.207
Base-Backbone interact. energy: -1.110
local terms energy: -104.481813
where:
bonds (distance) C4'-P energy: -27.572
bonds (distance) P-C4' energy: -19.395
flat angles C4'-P-C4' energy: -21.304
flat angles P-C4'-P energy: -16.812
tors. eta vs tors. theta energy: -19.399
Dist. restrs. and SS energy: 0.321 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -323.631274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.631274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.804887 (E_RNA)
where:
Base-Base interactions energy: -209.609
where: short stacking energy: -84.932
Base-Backbone interact. energy: -0.794
local terms energy: -113.401601
where:
bonds (distance) C4'-P energy: -20.079
bonds (distance) P-C4' energy: -28.251
flat angles C4'-P-C4' energy: -24.222
flat angles P-C4'-P energy: -19.244
tors. eta vs tors. theta energy: -21.606
Dist. restrs. and SS energy: 0.174 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -318.967021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.967021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.256826 (E_RNA)
where:
Base-Base interactions energy: -202.813
where: short stacking energy: -82.189
Base-Backbone interact. energy: -0.222
local terms energy: -116.221541
where:
bonds (distance) C4'-P energy: -23.261
bonds (distance) P-C4' energy: -29.361
flat angles C4'-P-C4' energy: -22.429
flat angles P-C4'-P energy: -15.714
tors. eta vs tors. theta energy: -25.457
Dist. restrs. and SS energy: 0.290 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -440.124350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.124350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.342658 (E_RNA)
where:
Base-Base interactions energy: -312.342
where: short stacking energy: -115.790
Base-Backbone interact. energy: 0.210
local terms energy: -128.210632
where:
bonds (distance) C4'-P energy: -29.375
bonds (distance) P-C4' energy: -28.915
flat angles C4'-P-C4' energy: -27.309
flat angles P-C4'-P energy: -15.553
tors. eta vs tors. theta energy: -27.060
Dist. restrs. and SS energy: 0.218 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -391.418543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.418543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.630990 (E_RNA)
where:
Base-Base interactions energy: -257.585
where: short stacking energy: -114.272
Base-Backbone interact. energy: -1.391
local terms energy: -132.655286
where:
bonds (distance) C4'-P energy: -23.840
bonds (distance) P-C4' energy: -29.420
flat angles C4'-P-C4' energy: -29.026
flat angles P-C4'-P energy: -16.095
tors. eta vs tors. theta energy: -34.273
Dist. restrs. and SS energy: 0.212 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -400.889623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.889623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.125981 (E_RNA)
where:
Base-Base interactions energy: -274.355
where: short stacking energy: -111.773
Base-Backbone interact. energy: -0.683
local terms energy: -126.088485
where:
bonds (distance) C4'-P energy: -21.607
bonds (distance) P-C4' energy: -28.615
flat angles C4'-P-C4' energy: -27.770
flat angles P-C4'-P energy: -19.059
tors. eta vs tors. theta energy: -29.038
Dist. restrs. and SS energy: 0.236 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -379.825742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.825742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.476158 (E_RNA)
where:
Base-Base interactions energy: -264.374
where: short stacking energy: -99.878
Base-Backbone interact. energy: 0.400
local terms energy: -116.502854
where:
bonds (distance) C4'-P energy: -20.937
bonds (distance) P-C4' energy: -22.874
flat angles C4'-P-C4' energy: -27.315
flat angles P-C4'-P energy: -17.043
tors. eta vs tors. theta energy: -28.333
Dist. restrs. and SS energy: 0.650 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -394.795563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.795563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.100336 (E_RNA)
where:
Base-Base interactions energy: -271.515
where: short stacking energy: -102.516
Base-Backbone interact. energy: -0.508
local terms energy: -123.077763
where:
bonds (distance) C4'-P energy: -22.452
bonds (distance) P-C4' energy: -26.283
flat angles C4'-P-C4' energy: -27.093
flat angles P-C4'-P energy: -20.388
tors. eta vs tors. theta energy: -26.862
Dist. restrs. and SS energy: 0.305 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -362.092932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.092932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.335996 (E_RNA)
where:
Base-Base interactions energy: -234.886
where: short stacking energy: -89.118
Base-Backbone interact. energy: -0.600
local terms energy: -126.850391
where:
bonds (distance) C4'-P energy: -28.655
bonds (distance) P-C4' energy: -25.437
flat angles C4'-P-C4' energy: -28.689
flat angles P-C4'-P energy: -17.412
tors. eta vs tors. theta energy: -26.657
Dist. restrs. and SS energy: 0.243 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -354.445404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.445404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.749160 (E_RNA)
where:
Base-Base interactions energy: -237.404
where: short stacking energy: -102.561
Base-Backbone interact. energy: 2.015
local terms energy: -119.360667
where:
bonds (distance) C4'-P energy: -22.817
bonds (distance) P-C4' energy: -26.814
flat angles C4'-P-C4' energy: -23.721
flat angles P-C4'-P energy: -14.843
tors. eta vs tors. theta energy: -31.164
Dist. restrs. and SS energy: 0.304 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -350.448572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.448572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.686153 (E_RNA)
where:
Base-Base interactions energy: -235.704
where: short stacking energy: -104.339
Base-Backbone interact. energy: -0.930
local terms energy: -114.051574
where:
bonds (distance) C4'-P energy: -22.287
bonds (distance) P-C4' energy: -20.896
flat angles C4'-P-C4' energy: -20.845
flat angles P-C4'-P energy: -15.031
tors. eta vs tors. theta energy: -34.993
Dist. restrs. and SS energy: 0.238 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -332.090718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.090718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.452670 (E_RNA)
where:
Base-Base interactions energy: -215.200
where: short stacking energy: -89.417
Base-Backbone interact. energy: -0.348
local terms energy: -116.904873
where:
bonds (distance) C4'-P energy: -22.461
bonds (distance) P-C4' energy: -28.295
flat angles C4'-P-C4' energy: -25.304
flat angles P-C4'-P energy: -12.634
tors. eta vs tors. theta energy: -28.212
Dist. restrs. and SS energy: 0.362 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -327.287157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.287157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.532127 (E_RNA)
where:
Base-Base interactions energy: -227.084
where: short stacking energy: -85.959
Base-Backbone interact. energy: 2.026
local terms energy: -102.473949
where:
bonds (distance) C4'-P energy: -22.121
bonds (distance) P-C4' energy: -23.263
flat angles C4'-P-C4' energy: -24.966
flat angles P-C4'-P energy: -11.192
tors. eta vs tors. theta energy: -20.932
Dist. restrs. and SS energy: 0.245 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -437.437317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.437317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.660035 (E_RNA)
where:
Base-Base interactions energy: -309.332
where: short stacking energy: -119.769
Base-Backbone interact. energy: -0.639
local terms energy: -127.688464
where:
bonds (distance) C4'-P energy: -22.885
bonds (distance) P-C4' energy: -25.564
flat angles C4'-P-C4' energy: -30.402
flat angles P-C4'-P energy: -19.076
tors. eta vs tors. theta energy: -29.760
Dist. restrs. and SS energy: 0.223 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -398.866924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.866924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.184277 (E_RNA)
where:
Base-Base interactions energy: -264.027
where: short stacking energy: -112.595
Base-Backbone interact. energy: -0.483
local terms energy: -134.674616
where:
bonds (distance) C4'-P energy: -26.427
bonds (distance) P-C4' energy: -30.204
flat angles C4'-P-C4' energy: -28.667
flat angles P-C4'-P energy: -17.665
tors. eta vs tors. theta energy: -31.712
Dist. restrs. and SS energy: 0.317 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -402.341035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.341035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.488403 (E_RNA)
where:
Base-Base interactions energy: -273.978
where: short stacking energy: -99.022
Base-Backbone interact. energy: -0.819
local terms energy: -127.691084
where:
bonds (distance) C4'-P energy: -28.885
bonds (distance) P-C4' energy: -26.161
flat angles C4'-P-C4' energy: -27.642
flat angles P-C4'-P energy: -16.423
tors. eta vs tors. theta energy: -28.580
Dist. restrs. and SS energy: 0.147 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -385.889872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.889872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.747991 (E_RNA)
where:
Base-Base interactions energy: -256.339
where: short stacking energy: -109.777
Base-Backbone interact. energy: -0.621
local terms energy: -129.787603
where:
bonds (distance) C4'-P energy: -28.082
bonds (distance) P-C4' energy: -28.952
flat angles C4'-P-C4' energy: -23.837
flat angles P-C4'-P energy: -19.078
tors. eta vs tors. theta energy: -29.838
Dist. restrs. and SS energy: 0.858 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -379.801176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.801176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.205000 (E_RNA)
where:
Base-Base interactions energy: -272.304
where: short stacking energy: -97.678
Base-Backbone interact. energy: -1.641
local terms energy: -106.259838
where:
bonds (distance) C4'-P energy: -21.744
bonds (distance) P-C4' energy: -25.348
flat angles C4'-P-C4' energy: -18.766
flat angles P-C4'-P energy: -10.156
tors. eta vs tors. theta energy: -30.246
Dist. restrs. and SS energy: 0.404 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -381.065661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.065661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.603283 (E_RNA)
where:
Base-Base interactions energy: -256.581
where: short stacking energy: -100.208
Base-Backbone interact. energy: -0.714
local terms energy: -124.308265
where:
bonds (distance) C4'-P energy: -24.612
bonds (distance) P-C4' energy: -28.331
flat angles C4'-P-C4' energy: -21.995
flat angles P-C4'-P energy: -15.612
tors. eta vs tors. theta energy: -33.758
Dist. restrs. and SS energy: 0.538 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -361.525743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.525743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.807201 (E_RNA)
where:
Base-Base interactions energy: -239.077
where: short stacking energy: -94.055
Base-Backbone interact. energy: -0.160
local terms energy: -122.570448
where:
bonds (distance) C4'-P energy: -23.899
bonds (distance) P-C4' energy: -25.024
flat angles C4'-P-C4' energy: -30.591
flat angles P-C4'-P energy: -17.023
tors. eta vs tors. theta energy: -26.033
Dist. restrs. and SS energy: 0.281 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -325.957373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.957373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.464410 (E_RNA)
where:
Base-Base interactions energy: -223.561
where: short stacking energy: -81.786
Base-Backbone interact. energy: -0.214
local terms energy: -102.689569
where:
bonds (distance) C4'-P energy: -21.952
bonds (distance) P-C4' energy: -24.548
flat angles C4'-P-C4' energy: -24.823
flat angles P-C4'-P energy: -7.463
tors. eta vs tors. theta energy: -23.904
Dist. restrs. and SS energy: 0.507 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -324.042616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.042616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.393555 (E_RNA)
where:
Base-Base interactions energy: -214.558
where: short stacking energy: -91.963
Base-Backbone interact. energy: -0.046
local terms energy: -111.788942
where:
bonds (distance) C4'-P energy: -21.477
bonds (distance) P-C4' energy: -26.547
flat angles C4'-P-C4' energy: -27.389
flat angles P-C4'-P energy: -13.923
tors. eta vs tors. theta energy: -22.454
Dist. restrs. and SS energy: 2.351 (S_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: 142
Temperature: 1.350000
Total energy: -319.150946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.150946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.563414 (E_RNA)
where:
Base-Base interactions energy: -212.074
where: short stacking energy: -86.373
Base-Backbone interact. energy: 3.294
local terms energy: -110.783387
where:
bonds (distance) C4'-P energy: -18.461
bonds (distance) P-C4' energy: -26.187
flat angles C4'-P-C4' energy: -25.546
flat angles P-C4'-P energy: -17.359
tors. eta vs tors. theta energy: -23.229
Dist. restrs. and SS energy: 0.412 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -439.194656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.194656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.531748 (E_RNA)
where:
Base-Base interactions energy: -305.099
where: short stacking energy: -116.183
Base-Backbone interact. energy: 0.490
local terms energy: -134.923276
where:
bonds (distance) C4'-P energy: -27.378
bonds (distance) P-C4' energy: -29.879
flat angles C4'-P-C4' energy: -29.422
flat angles P-C4'-P energy: -15.245
tors. eta vs tors. theta energy: -32.999
Dist. restrs. and SS energy: 0.337 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -410.725791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.725791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.161358 (E_RNA)
where:
Base-Base interactions energy: -277.354
where: short stacking energy: -116.144
Base-Backbone interact. energy: -0.311
local terms energy: -133.495928
where:
bonds (distance) C4'-P energy: -26.351
bonds (distance) P-C4' energy: -23.109
flat angles C4'-P-C4' energy: -31.870
flat angles P-C4'-P energy: -17.989
tors. eta vs tors. theta energy: -34.177
Dist. restrs. and SS energy: 0.436 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -387.917087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.917087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.268161 (E_RNA)
where:
Base-Base interactions energy: -256.559
where: short stacking energy: -114.493
Base-Backbone interact. energy: -0.961
local terms energy: -130.748405
where:
bonds (distance) C4'-P energy: -23.555
bonds (distance) P-C4' energy: -28.922
flat angles C4'-P-C4' energy: -25.968
flat angles P-C4'-P energy: -22.383
tors. eta vs tors. theta energy: -29.920
Dist. restrs. and SS energy: 0.351 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -375.763642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.763642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.829089 (E_RNA)
where:
Base-Base interactions energy: -255.286
where: short stacking energy: -102.025
Base-Backbone interact. energy: -0.138
local terms energy: -120.405043
where:
bonds (distance) C4'-P energy: -28.709
bonds (distance) P-C4' energy: -23.520
flat angles C4'-P-C4' energy: -29.301
flat angles P-C4'-P energy: -12.356
tors. eta vs tors. theta energy: -26.519
Dist. restrs. and SS energy: 0.065 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -394.683681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.683681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.979961 (E_RNA)
where:
Base-Base interactions energy: -278.564
where: short stacking energy: -121.666
Base-Backbone interact. energy: -0.807
local terms energy: -115.608912
where:
bonds (distance) C4'-P energy: -23.524
bonds (distance) P-C4' energy: -23.611
flat angles C4'-P-C4' energy: -26.954
flat angles P-C4'-P energy: -10.922
tors. eta vs tors. theta energy: -30.598
Dist. restrs. and SS energy: 0.296 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -371.738647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.738647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.126139 (E_RNA)
where:
Base-Base interactions energy: -255.867
where: short stacking energy: -94.417
Base-Backbone interact. energy: -0.004
local terms energy: -116.255151
where:
bonds (distance) C4'-P energy: -25.405
bonds (distance) P-C4' energy: -27.797
flat angles C4'-P-C4' energy: -23.559
flat angles P-C4'-P energy: -14.035
tors. eta vs tors. theta energy: -25.459
Dist. restrs. and SS energy: 0.387 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -345.325650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.325650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.440562 (E_RNA)
where:
Base-Base interactions energy: -223.021
where: short stacking energy: -86.233
Base-Backbone interact. energy: 2.875
local terms energy: -125.294731
where:
bonds (distance) C4'-P energy: -24.218
bonds (distance) P-C4' energy: -25.808
flat angles C4'-P-C4' energy: -26.120
flat angles P-C4'-P energy: -20.175
tors. eta vs tors. theta energy: -28.972
Dist. restrs. and SS energy: 0.115 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -332.895823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.895823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.220273 (E_RNA)
where:
Base-Base interactions energy: -220.567
where: short stacking energy: -88.442
Base-Backbone interact. energy: -1.039
local terms energy: -111.613699
where:
bonds (distance) C4'-P energy: -15.087
bonds (distance) P-C4' energy: -30.379
flat angles C4'-P-C4' energy: -23.507
flat angles P-C4'-P energy: -11.950
tors. eta vs tors. theta energy: -30.691
Dist. restrs. and SS energy: 0.324 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -327.066022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.066022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.227799 (E_RNA)
where:
Base-Base interactions energy: -218.855
where: short stacking energy: -93.318
Base-Backbone interact. energy: -0.099
local terms energy: -108.274250
where:
bonds (distance) C4'-P energy: -19.336
bonds (distance) P-C4' energy: -23.242
flat angles C4'-P-C4' energy: -25.951
flat angles P-C4'-P energy: -9.539
tors. eta vs tors. theta energy: -30.206
Dist. restrs. and SS energy: 0.162 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -310.131772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.131772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.425905 (E_RNA)
where:
Base-Base interactions energy: -217.033
where: short stacking energy: -76.993
Base-Backbone interact. energy: -1.632
local terms energy: -91.761585
where:
bonds (distance) C4'-P energy: -13.552
bonds (distance) P-C4' energy: -27.162
flat angles C4'-P-C4' energy: -21.600
flat angles P-C4'-P energy: -15.023
tors. eta vs tors. theta energy: -14.425
Dist. restrs. and SS energy: 0.294 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -427.055082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.055082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.297179 (E_RNA)
where:
Base-Base interactions energy: -289.322
where: short stacking energy: -123.970
Base-Backbone interact. energy: -1.141
local terms energy: -136.833557
where:
bonds (distance) C4'-P energy: -22.494
bonds (distance) P-C4' energy: -30.037
flat angles C4'-P-C4' energy: -28.864
flat angles P-C4'-P energy: -20.789
tors. eta vs tors. theta energy: -34.650
Dist. restrs. and SS energy: 0.242 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -438.238419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.238419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.315929 (E_RNA)
where:
Base-Base interactions energy: -305.452
where: short stacking energy: -112.927
Base-Backbone interact. energy: -1.060
local terms energy: -131.803926
where:
bonds (distance) C4'-P energy: -26.536
bonds (distance) P-C4' energy: -28.104
flat angles C4'-P-C4' energy: -26.187
flat angles P-C4'-P energy: -16.808
tors. eta vs tors. theta energy: -34.169
Dist. restrs. and SS energy: 0.078 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -391.000719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.000719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.090749 (E_RNA)
where:
Base-Base interactions energy: -261.954
where: short stacking energy: -108.416
Base-Backbone interact. energy: -0.336
local terms energy: -128.799931
where:
bonds (distance) C4'-P energy: -27.785
bonds (distance) P-C4' energy: -25.726
flat angles C4'-P-C4' energy: -27.773
flat angles P-C4'-P energy: -13.197
tors. eta vs tors. theta energy: -34.319
Dist. restrs. and SS energy: 0.090 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -382.387010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.387010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.664808 (E_RNA)
where:
Base-Base interactions energy: -255.655
where: short stacking energy: -98.429
Base-Backbone interact. energy: -0.138
local terms energy: -126.871322
where:
bonds (distance) C4'-P energy: -27.007
bonds (distance) P-C4' energy: -28.662
flat angles C4'-P-C4' energy: -26.561
flat angles P-C4'-P energy: -17.729
tors. eta vs tors. theta energy: -26.912
Dist. restrs. and SS energy: 0.278 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -381.758812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.758812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.292673 (E_RNA)
where:
Base-Base interactions energy: -252.320
where: short stacking energy: -103.811
Base-Backbone interact. energy: -0.555
local terms energy: -129.417612
where:
bonds (distance) C4'-P energy: -30.675
bonds (distance) P-C4' energy: -23.413
flat angles C4'-P-C4' energy: -24.812
flat angles P-C4'-P energy: -22.274
tors. eta vs tors. theta energy: -28.244
Dist. restrs. and SS energy: 0.534 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -370.900720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.900720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.504184 (E_RNA)
where:
Base-Base interactions energy: -251.677
where: short stacking energy: -98.570
Base-Backbone interact. energy: 1.374
local terms energy: -121.201234
where:
bonds (distance) C4'-P energy: -23.329
bonds (distance) P-C4' energy: -29.354
flat angles C4'-P-C4' energy: -23.346
flat angles P-C4'-P energy: -16.914
tors. eta vs tors. theta energy: -28.258
Dist. restrs. and SS energy: 0.603 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -350.967647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.967647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.096982 (E_RNA)
where:
Base-Base interactions energy: -236.203
where: short stacking energy: -83.631
Base-Backbone interact. energy: -0.148
local terms energy: -114.746716
where:
bonds (distance) C4'-P energy: -23.963
bonds (distance) P-C4' energy: -28.136
flat angles C4'-P-C4' energy: -24.077
flat angles P-C4'-P energy: -13.523
tors. eta vs tors. theta energy: -25.047
Dist. restrs. and SS energy: 0.129 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -337.700732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.700732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.346700 (E_RNA)
where:
Base-Base interactions energy: -224.075
where: short stacking energy: -89.129
Base-Backbone interact. energy: 1.247
local terms energy: -115.519645
where:
bonds (distance) C4'-P energy: -19.159
bonds (distance) P-C4' energy: -25.599
flat angles C4'-P-C4' energy: -29.747
flat angles P-C4'-P energy: -14.188
tors. eta vs tors. theta energy: -26.827
Dist. restrs. and SS energy: 0.646 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -322.803064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.803064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.272156 (E_RNA)
where:
Base-Base interactions energy: -213.297
where: short stacking energy: -81.392
Base-Backbone interact. energy: 0.002
local terms energy: -109.977033
where:
bonds (distance) C4'-P energy: -17.228
bonds (distance) P-C4' energy: -27.671
flat angles C4'-P-C4' energy: -21.108
flat angles P-C4'-P energy: -20.115
tors. eta vs tors. theta energy: -23.855
Dist. restrs. and SS energy: 0.469 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -313.845303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.845303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.877265 (E_RNA)
where:
Base-Base interactions energy: -217.957
where: short stacking energy: -88.734
Base-Backbone interact. energy: -0.161
local terms energy: -95.759702
where:
bonds (distance) C4'-P energy: -19.289
bonds (distance) P-C4' energy: -13.554
flat angles C4'-P-C4' energy: -22.038
flat angles P-C4'-P energy: -17.107
tors. eta vs tors. theta energy: -23.772
Dist. restrs. and SS energy: 0.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -425.883947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.883947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.243033 (E_RNA)
where:
Base-Base interactions energy: -296.066
where: short stacking energy: -119.745
Base-Backbone interact. energy: -0.661
local terms energy: -129.516399
where:
bonds (distance) C4'-P energy: -26.223
bonds (distance) P-C4' energy: -21.577
flat angles C4'-P-C4' energy: -32.749
flat angles P-C4'-P energy: -11.715
tors. eta vs tors. theta energy: -37.252
Dist. restrs. and SS energy: 0.359 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -441.998538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.998538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.193909 (E_RNA)
where:
Base-Base interactions energy: -313.240
where: short stacking energy: -118.863
Base-Backbone interact. energy: -1.123
local terms energy: -127.830824
where:
bonds (distance) C4'-P energy: -28.335
bonds (distance) P-C4' energy: -21.343
flat angles C4'-P-C4' energy: -24.244
flat angles P-C4'-P energy: -17.964
tors. eta vs tors. theta energy: -35.946
Dist. restrs. and SS energy: 0.195 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -387.092630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.092630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.398539 (E_RNA)
where:
Base-Base interactions energy: -263.073
where: short stacking energy: -108.641
Base-Backbone interact. energy: -0.211
local terms energy: -124.115089
where:
bonds (distance) C4'-P energy: -25.503
bonds (distance) P-C4' energy: -28.230
flat angles C4'-P-C4' energy: -29.582
flat angles P-C4'-P energy: -15.378
tors. eta vs tors. theta energy: -25.423
Dist. restrs. and SS energy: 0.306 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -393.216635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.216635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.322848 (E_RNA)
where:
Base-Base interactions energy: -265.318
where: short stacking energy: -112.350
Base-Backbone interact. energy: -0.092
local terms energy: -127.913084
where:
bonds (distance) C4'-P energy: -23.230
bonds (distance) P-C4' energy: -24.561
flat angles C4'-P-C4' energy: -24.902
flat angles P-C4'-P energy: -20.266
tors. eta vs tors. theta energy: -34.953
Dist. restrs. and SS energy: 0.106 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -379.785091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.785091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.075555 (E_RNA)
where:
Base-Base interactions energy: -263.523
where: short stacking energy: -99.983
Base-Backbone interact. energy: -0.234
local terms energy: -116.319222
where:
bonds (distance) C4'-P energy: -17.305
bonds (distance) P-C4' energy: -32.502
flat angles C4'-P-C4' energy: -26.402
flat angles P-C4'-P energy: -16.281
tors. eta vs tors. theta energy: -23.829
Dist. restrs. and SS energy: 0.290 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -361.709035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.709035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.699997 (E_RNA)
where:
Base-Base interactions energy: -246.637
where: short stacking energy: -103.303
Base-Backbone interact. energy: -0.153
local terms energy: -115.909685
where:
bonds (distance) C4'-P energy: -18.478
bonds (distance) P-C4' energy: -27.080
flat angles C4'-P-C4' energy: -24.711
flat angles P-C4'-P energy: -15.984
tors. eta vs tors. theta energy: -29.658
Dist. restrs. and SS energy: 0.991 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -356.665261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.665261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.974912 (E_RNA)
where:
Base-Base interactions energy: -251.408
where: short stacking energy: -90.440
Base-Backbone interact. energy: -0.412
local terms energy: -105.155043
where:
bonds (distance) C4'-P energy: -22.258
bonds (distance) P-C4' energy: -19.245
flat angles C4'-P-C4' energy: -23.262
flat angles P-C4'-P energy: -9.472
tors. eta vs tors. theta energy: -30.918
Dist. restrs. and SS energy: 0.310 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -338.902832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.902832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.112910 (E_RNA)
where:
Base-Base interactions energy: -225.179
where: short stacking energy: -84.477
Base-Backbone interact. energy: -0.802
local terms energy: -113.131488
where:
bonds (distance) C4'-P energy: -23.904
bonds (distance) P-C4' energy: -31.072
flat angles C4'-P-C4' energy: -26.702
flat angles P-C4'-P energy: -9.930
tors. eta vs tors. theta energy: -21.524
Dist. restrs. and SS energy: 0.210 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -323.721137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.721137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.618813 (E_RNA)
where:
Base-Base interactions energy: -223.680
where: short stacking energy: -81.622
Base-Backbone interact. energy: -0.912
local terms energy: -100.027568
where:
bonds (distance) C4'-P energy: -25.503
bonds (distance) P-C4' energy: -20.391
flat angles C4'-P-C4' energy: -19.093
flat angles P-C4'-P energy: -13.744
tors. eta vs tors. theta energy: -21.296
Dist. restrs. and SS energy: 0.898 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -310.164661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.164661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.653126 (E_RNA)
where:
Base-Base interactions energy: -207.002
where: short stacking energy: -75.917
Base-Backbone interact. energy: -0.800
local terms energy: -102.851645
where:
bonds (distance) C4'-P energy: -28.561
bonds (distance) P-C4' energy: -27.964
flat angles C4'-P-C4' energy: -17.170
flat angles P-C4'-P energy: -9.766
tors. eta vs tors. theta energy: -19.390
Dist. restrs. and SS energy: 0.488 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -444.488560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.488560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.674390 (E_RNA)
where:
Base-Base interactions energy: -308.084
where: short stacking energy: -122.623
Base-Backbone interact. energy: -0.725
local terms energy: -135.865763
where:
bonds (distance) C4'-P energy: -25.951
bonds (distance) P-C4' energy: -30.130
flat angles C4'-P-C4' energy: -28.827
flat angles P-C4'-P energy: -18.810
tors. eta vs tors. theta energy: -32.149
Dist. restrs. and SS energy: 0.186 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -409.819879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.819879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.859525 (E_RNA)
where:
Base-Base interactions energy: -273.123
where: short stacking energy: -106.360
Base-Backbone interact. energy: -0.933
local terms energy: -135.803292
where:
bonds (distance) C4'-P energy: -30.405
bonds (distance) P-C4' energy: -27.496
flat angles C4'-P-C4' energy: -27.052
flat angles P-C4'-P energy: -20.239
tors. eta vs tors. theta energy: -30.611
Dist. restrs. and SS energy: 0.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -380.430567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.430567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.820867 (E_RNA)
where:
Base-Base interactions energy: -262.209
where: short stacking energy: -104.030
Base-Backbone interact. energy: -1.250
local terms energy: -117.361581
where:
bonds (distance) C4'-P energy: -18.463
bonds (distance) P-C4' energy: -22.823
flat angles C4'-P-C4' energy: -25.243
flat angles P-C4'-P energy: -19.416
tors. eta vs tors. theta energy: -31.416
Dist. restrs. and SS energy: 0.390 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -402.551269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.551269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.630856 (E_RNA)
where:
Base-Base interactions energy: -270.577
where: short stacking energy: -114.028
Base-Backbone interact. energy: -1.831
local terms energy: -130.223337
where:
bonds (distance) C4'-P energy: -20.184
bonds (distance) P-C4' energy: -31.504
flat angles C4'-P-C4' energy: -29.718
flat angles P-C4'-P energy: -15.735
tors. eta vs tors. theta energy: -33.083
Dist. restrs. and SS energy: 0.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -392.591857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.591857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.821010 (E_RNA)
where:
Base-Base interactions energy: -276.563
where: short stacking energy: -103.372
Base-Backbone interact. energy: -0.532
local terms energy: -115.725240
where:
bonds (distance) C4'-P energy: -26.762
bonds (distance) P-C4' energy: -24.942
flat angles C4'-P-C4' energy: -19.602
flat angles P-C4'-P energy: -17.532
tors. eta vs tors. theta energy: -26.887
Dist. restrs. and SS energy: 0.229 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -366.590257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.590257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.593409 (E_RNA)
where:
Base-Base interactions energy: -252.306
where: short stacking energy: -100.650
Base-Backbone interact. energy: -0.355
local terms energy: -113.932116
where:
bonds (distance) C4'-P energy: -22.089
bonds (distance) P-C4' energy: -19.653
flat angles C4'-P-C4' energy: -29.355
flat angles P-C4'-P energy: -13.550
tors. eta vs tors. theta energy: -29.285
Dist. restrs. and SS energy: 0.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -330.630676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.630676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.956787 (E_RNA)
where:
Base-Base interactions energy: -219.003
where: short stacking energy: -90.669
Base-Backbone interact. energy: -0.280
local terms energy: -111.673869
where:
bonds (distance) C4'-P energy: -23.191
bonds (distance) P-C4' energy: -21.978
flat angles C4'-P-C4' energy: -27.828
flat angles P-C4'-P energy: -20.172
tors. eta vs tors. theta energy: -18.505
Dist. restrs. and SS energy: 0.326 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -333.949675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.949675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.214711 (E_RNA)
where:
Base-Base interactions energy: -225.428
where: short stacking energy: -83.480
Base-Backbone interact. energy: -0.273
local terms energy: -108.514018
where:
bonds (distance) C4'-P energy: -26.499
bonds (distance) P-C4' energy: -23.780
flat angles C4'-P-C4' energy: -18.655
flat angles P-C4'-P energy: -14.142
tors. eta vs tors. theta energy: -25.438
Dist. restrs. and SS energy: 0.265 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -342.483540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.483540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.633352 (E_RNA)
where:
Base-Base interactions energy: -230.663
where: short stacking energy: -84.590
Base-Backbone interact. energy: -1.205
local terms energy: -110.765545
where:
bonds (distance) C4'-P energy: -24.970
bonds (distance) P-C4' energy: -28.029
flat angles C4'-P-C4' energy: -22.587
flat angles P-C4'-P energy: -13.861
tors. eta vs tors. theta energy: -21.318
Dist. restrs. and SS energy: 0.150 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -317.860510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.860510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.669432 (E_RNA)
where:
Base-Base interactions energy: -217.685
where: short stacking energy: -83.211
Base-Backbone interact. energy: 0.126
local terms energy: -101.109616
where:
bonds (distance) C4'-P energy: -21.253
bonds (distance) P-C4' energy: -25.474
flat angles C4'-P-C4' energy: -17.701
flat angles P-C4'-P energy: -17.576
tors. eta vs tors. theta energy: -19.105
Dist. restrs. and SS energy: 0.809 (S_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: 147
Temperature: 0.900000
Total energy: -448.406936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.406936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.033850 (E_RNA)
where:
Base-Base interactions energy: -306.882
where: short stacking energy: -113.282
Base-Backbone interact. energy: -1.135
local terms energy: -141.016810
where:
bonds (distance) C4'-P energy: -26.516
bonds (distance) P-C4' energy: -26.886
flat angles C4'-P-C4' energy: -29.875
flat angles P-C4'-P energy: -21.444
tors. eta vs tors. theta energy: -36.296
Dist. restrs. and SS energy: 0.627 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -413.345670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.345670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.729940 (E_RNA)
where:
Base-Base interactions energy: -289.149
where: short stacking energy: -118.384
Base-Backbone interact. energy: -0.015
local terms energy: -124.566066
where:
bonds (distance) C4'-P energy: -22.242
bonds (distance) P-C4' energy: -22.908
flat angles C4'-P-C4' energy: -29.726
flat angles P-C4'-P energy: -15.528
tors. eta vs tors. theta energy: -34.162
Dist. restrs. and SS energy: 0.384 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -404.014839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.014839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.296566 (E_RNA)
where:
Base-Base interactions energy: -266.163
where: short stacking energy: -111.023
Base-Backbone interact. energy: -0.537
local terms energy: -137.597012
where:
bonds (distance) C4'-P energy: -25.144
bonds (distance) P-C4' energy: -30.393
flat angles C4'-P-C4' energy: -29.119
flat angles P-C4'-P energy: -18.900
tors. eta vs tors. theta energy: -34.040
Dist. restrs. and SS energy: 0.282 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -386.959181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.959181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.051827 (E_RNA)
where:
Base-Base interactions energy: -254.973
where: short stacking energy: -110.380
Base-Backbone interact. energy: -1.524
local terms energy: -130.554396
where:
bonds (distance) C4'-P energy: -24.861
bonds (distance) P-C4' energy: -25.070
flat angles C4'-P-C4' energy: -30.730
flat angles P-C4'-P energy: -17.685
tors. eta vs tors. theta energy: -32.209
Dist. restrs. and SS energy: 0.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -381.452590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.452590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.553639 (E_RNA)
where:
Base-Base interactions energy: -257.739
where: short stacking energy: -105.751
Base-Backbone interact. energy: -0.257
local terms energy: -123.557356
where:
bonds (distance) C4'-P energy: -23.478
bonds (distance) P-C4' energy: -25.494
flat angles C4'-P-C4' energy: -28.698
flat angles P-C4'-P energy: -15.383
tors. eta vs tors. theta energy: -30.505
Dist. restrs. and SS energy: 0.101 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -347.138409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.138409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.488913 (E_RNA)
where:
Base-Base interactions energy: -230.555
where: short stacking energy: -91.737
Base-Backbone interact. energy: -0.799
local terms energy: -116.134897
where:
bonds (distance) C4'-P energy: -19.750
bonds (distance) P-C4' energy: -24.260
flat angles C4'-P-C4' energy: -27.283
flat angles P-C4'-P energy: -18.170
tors. eta vs tors. theta energy: -26.671
Dist. restrs. and SS energy: 0.351 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -335.257725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.257725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.517238 (E_RNA)
where:
Base-Base interactions energy: -230.197
where: short stacking energy: -87.630
Base-Backbone interact. energy: -0.431
local terms energy: -104.888876
where:
bonds (distance) C4'-P energy: -19.526
bonds (distance) P-C4' energy: -25.410
flat angles C4'-P-C4' energy: -19.915
flat angles P-C4'-P energy: -18.738
tors. eta vs tors. theta energy: -21.299
Dist. restrs. and SS energy: 0.260 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -346.066651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.066651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.294120 (E_RNA)
where:
Base-Base interactions energy: -239.699
where: short stacking energy: -81.349
Base-Backbone interact. energy: -0.988
local terms energy: -105.607207
where:
bonds (distance) C4'-P energy: -24.170
bonds (distance) P-C4' energy: -20.818
flat angles C4'-P-C4' energy: -18.973
flat angles P-C4'-P energy: -21.525
tors. eta vs tors. theta energy: -20.121
Dist. restrs. and SS energy: 0.227 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -328.794199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.794199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.154570 (E_RNA)
where:
Base-Base interactions energy: -225.823
where: short stacking energy: -77.815
Base-Backbone interact. energy: 2.457
local terms energy: -105.788402
where:
bonds (distance) C4'-P energy: -21.632
bonds (distance) P-C4' energy: -25.908
flat angles C4'-P-C4' energy: -27.347
flat angles P-C4'-P energy: -10.976
tors. eta vs tors. theta energy: -19.926
Dist. restrs. and SS energy: 0.360 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -305.880364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.880364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.019962 (E_RNA)
where:
Base-Base interactions energy: -200.071
where: short stacking energy: -74.064
Base-Backbone interact. energy: -0.540
local terms energy: -105.408615
where:
bonds (distance) C4'-P energy: -19.550
bonds (distance) P-C4' energy: -24.199
flat angles C4'-P-C4' energy: -22.020
flat angles P-C4'-P energy: -18.121
tors. eta vs tors. theta energy: -21.518
Dist. restrs. and SS energy: 0.140 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -431.642890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.642890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.792077 (E_RNA)
where:
Base-Base interactions energy: -299.920
where: short stacking energy: -113.505
Base-Backbone interact. energy: -1.343
local terms energy: -130.528656
where:
bonds (distance) C4'-P energy: -23.629
bonds (distance) P-C4' energy: -25.034
flat angles C4'-P-C4' energy: -30.075
flat angles P-C4'-P energy: -17.960
tors. eta vs tors. theta energy: -33.830
Dist. restrs. and SS energy: 0.149 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -412.661853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.661853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.754420 (E_RNA)
where:
Base-Base interactions energy: -278.550
where: short stacking energy: -123.895
Base-Backbone interact. energy: -1.222
local terms energy: -132.982443
where:
bonds (distance) C4'-P energy: -27.139
bonds (distance) P-C4' energy: -27.626
flat angles C4'-P-C4' energy: -27.543
flat angles P-C4'-P energy: -17.547
tors. eta vs tors. theta energy: -33.127
Dist. restrs. and SS energy: 0.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -409.144131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.144131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.242754 (E_RNA)
where:
Base-Base interactions energy: -275.870
where: short stacking energy: -114.947
Base-Backbone interact. energy: 1.836
local terms energy: -135.209105
where:
bonds (distance) C4'-P energy: -23.637
bonds (distance) P-C4' energy: -31.185
flat angles C4'-P-C4' energy: -29.281
flat angles P-C4'-P energy: -19.696
tors. eta vs tors. theta energy: -31.410
Dist. restrs. and SS energy: 0.099 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -387.014842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.014842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.453060 (E_RNA)
where:
Base-Base interactions energy: -269.479
where: short stacking energy: -112.546
Base-Backbone interact. energy: 0.245
local terms energy: -118.218898
where:
bonds (distance) C4'-P energy: -24.333
bonds (distance) P-C4' energy: -26.248
flat angles C4'-P-C4' energy: -24.082
flat angles P-C4'-P energy: -17.907
tors. eta vs tors. theta energy: -25.649
Dist. restrs. and SS energy: 0.438 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -363.447837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.447837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.661785 (E_RNA)
where:
Base-Base interactions energy: -245.290
where: short stacking energy: -101.272
Base-Backbone interact. energy: -0.480
local terms energy: -117.891204
where:
bonds (distance) C4'-P energy: -19.944
bonds (distance) P-C4' energy: -21.047
flat angles C4'-P-C4' energy: -28.002
flat angles P-C4'-P energy: -19.531
tors. eta vs tors. theta energy: -29.367
Dist. restrs. and SS energy: 0.214 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -371.057579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.057579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.444269 (E_RNA)
where:
Base-Base interactions energy: -257.566
where: short stacking energy: -100.452
Base-Backbone interact. energy: -0.480
local terms energy: -113.397930
where:
bonds (distance) C4'-P energy: -25.274
bonds (distance) P-C4' energy: -30.410
flat angles C4'-P-C4' energy: -22.151
flat angles P-C4'-P energy: -8.216
tors. eta vs tors. theta energy: -27.347
Dist. restrs. and SS energy: 0.387 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -367.132123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.132123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.853665 (E_RNA)
where:
Base-Base interactions energy: -255.666
where: short stacking energy: -97.494
Base-Backbone interact. energy: -1.372
local terms energy: -110.815216
where:
bonds (distance) C4'-P energy: -18.094
bonds (distance) P-C4' energy: -25.966
flat angles C4'-P-C4' energy: -23.486
flat angles P-C4'-P energy: -18.580
tors. eta vs tors. theta energy: -24.690
Dist. restrs. and SS energy: 0.722 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -336.779359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.779359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.093862 (E_RNA)
where:
Base-Base interactions energy: -223.325
where: short stacking energy: -75.876
Base-Backbone interact. energy: -0.643
local terms energy: -113.126282
where:
bonds (distance) C4'-P energy: -24.112
bonds (distance) P-C4' energy: -23.556
flat angles C4'-P-C4' energy: -26.259
flat angles P-C4'-P energy: -16.599
tors. eta vs tors. theta energy: -22.599
Dist. restrs. and SS energy: 0.315 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -327.102743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.102743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.673000 (E_RNA)
where:
Base-Base interactions energy: -223.945
where: short stacking energy: -74.942
Base-Backbone interact. energy: -0.285
local terms energy: -103.442799
where:
bonds (distance) C4'-P energy: -21.660
bonds (distance) P-C4' energy: -24.856
flat angles C4'-P-C4' energy: -24.570
flat angles P-C4'-P energy: -14.589
tors. eta vs tors. theta energy: -17.768
Dist. restrs. and SS energy: 0.570 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -302.674284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.674284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.093716 (E_RNA)
where:
Base-Base interactions energy: -198.924
where: short stacking energy: -73.581
Base-Backbone interact. energy: -0.551
local terms energy: -103.618378
where:
bonds (distance) C4'-P energy: -18.185
bonds (distance) P-C4' energy: -26.644
flat angles C4'-P-C4' energy: -22.286
flat angles P-C4'-P energy: -20.481
tors. eta vs tors. theta energy: -16.023
Dist. restrs. and SS energy: 0.419 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -435.758649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.758649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.786076 (E_RNA)
where:
Base-Base interactions energy: -301.692
where: short stacking energy: -115.057
Base-Backbone interact. energy: -0.900
local terms energy: -133.193658
where:
bonds (distance) C4'-P energy: -23.828
bonds (distance) P-C4' energy: -28.977
flat angles C4'-P-C4' energy: -32.414
flat angles P-C4'-P energy: -19.110
tors. eta vs tors. theta energy: -28.864
Dist. restrs. and SS energy: 0.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -407.788408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.788408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.861341 (E_RNA)
where:
Base-Base interactions energy: -269.057
where: short stacking energy: -111.200
Base-Backbone interact. energy: -1.021
local terms energy: -137.783326
where:
bonds (distance) C4'-P energy: -28.293
bonds (distance) P-C4' energy: -30.238
flat angles C4'-P-C4' energy: -28.010
flat angles P-C4'-P energy: -16.378
tors. eta vs tors. theta energy: -34.865
Dist. restrs. and SS energy: 0.073 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -416.154880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.154880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.620925 (E_RNA)
where:
Base-Base interactions energy: -289.136
where: short stacking energy: -109.126
Base-Backbone interact. energy: -0.246
local terms energy: -127.239765
where:
bonds (distance) C4'-P energy: -27.420
bonds (distance) P-C4' energy: -25.991
flat angles C4'-P-C4' energy: -32.554
flat angles P-C4'-P energy: -13.746
tors. eta vs tors. theta energy: -27.528
Dist. restrs. and SS energy: 0.466 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -381.536957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.536957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.844930 (E_RNA)
where:
Base-Base interactions energy: -258.151
where: short stacking energy: -113.304
Base-Backbone interact. energy: -0.295
local terms energy: -123.398860
where:
bonds (distance) C4'-P energy: -18.128
bonds (distance) P-C4' energy: -27.947
flat angles C4'-P-C4' energy: -29.894
flat angles P-C4'-P energy: -14.321
tors. eta vs tors. theta energy: -33.109
Dist. restrs. and SS energy: 0.308 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -378.892645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.892645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.018495 (E_RNA)
where:
Base-Base interactions energy: -241.954
where: short stacking energy: -103.110
Base-Backbone interact. energy: -0.443
local terms energy: -136.621504
where:
bonds (distance) C4'-P energy: -30.349
bonds (distance) P-C4' energy: -31.030
flat angles C4'-P-C4' energy: -26.365
flat angles P-C4'-P energy: -20.335
tors. eta vs tors. theta energy: -28.543
Dist. restrs. and SS energy: 0.126 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -374.075792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.075792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.510045 (E_RNA)
where:
Base-Base interactions energy: -257.109
where: short stacking energy: -107.238
Base-Backbone interact. energy: -0.719
local terms energy: -116.681988
where:
bonds (distance) C4'-P energy: -22.699
bonds (distance) P-C4' energy: -17.336
flat angles C4'-P-C4' energy: -31.915
flat angles P-C4'-P energy: -15.750
tors. eta vs tors. theta energy: -28.982
Dist. restrs. and SS energy: 0.434 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -383.228723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.228723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.396694 (E_RNA)
where:
Base-Base interactions energy: -270.398
where: short stacking energy: -104.462
Base-Backbone interact. energy: -0.391
local terms energy: -112.607799
where:
bonds (distance) C4'-P energy: -25.100
bonds (distance) P-C4' energy: -19.028
flat angles C4'-P-C4' energy: -21.618
flat angles P-C4'-P energy: -15.665
tors. eta vs tors. theta energy: -31.197
Dist. restrs. and SS energy: 0.168 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -341.072041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.072041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.414997 (E_RNA)
where:
Base-Base interactions energy: -224.323
where: short stacking energy: -93.483
Base-Backbone interact. energy: -0.278
local terms energy: -116.814249
where:
bonds (distance) C4'-P energy: -26.453
bonds (distance) P-C4' energy: -21.484
flat angles C4'-P-C4' energy: -26.210
flat angles P-C4'-P energy: -18.819
tors. eta vs tors. theta energy: -23.848
Dist. restrs. and SS energy: 0.343 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -320.785379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.785379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.979468 (E_RNA)
where:
Base-Base interactions energy: -222.151
where: short stacking energy: -92.330
Base-Backbone interact. energy: -2.094
local terms energy: -96.733991
where:
bonds (distance) C4'-P energy: -22.793
bonds (distance) P-C4' energy: -15.440
flat angles C4'-P-C4' energy: -22.590
flat angles P-C4'-P energy: -13.055
tors. eta vs tors. theta energy: -22.856
Dist. restrs. and SS energy: 0.194 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -321.216810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.216810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.493061 (E_RNA)
where:
Base-Base interactions energy: -216.783
where: short stacking energy: -80.074
Base-Backbone interact. energy: -0.841
local terms energy: -103.868762
where:
bonds (distance) C4'-P energy: -24.908
bonds (distance) P-C4' energy: -20.842
flat angles C4'-P-C4' energy: -27.869
flat angles P-C4'-P energy: -5.656
tors. eta vs tors. theta energy: -24.594
Dist. restrs. and SS energy: 0.276 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -440.915819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.915819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.190202 (E_RNA)
where:
Base-Base interactions energy: -300.799
where: short stacking energy: -120.368
Base-Backbone interact. energy: -0.505
local terms energy: -139.886308
where:
bonds (distance) C4'-P energy: -28.105
bonds (distance) P-C4' energy: -33.951
flat angles C4'-P-C4' energy: -28.300
flat angles P-C4'-P energy: -15.881
tors. eta vs tors. theta energy: -33.650
Dist. restrs. and SS energy: 0.274 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -403.837824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.837824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.986599 (E_RNA)
where:
Base-Base interactions energy: -273.232
where: short stacking energy: -109.542
Base-Backbone interact. energy: -1.133
local terms energy: -129.621255
where:
bonds (distance) C4'-P energy: -27.614
bonds (distance) P-C4' energy: -30.019
flat angles C4'-P-C4' energy: -24.781
flat angles P-C4'-P energy: -20.229
tors. eta vs tors. theta energy: -26.978
Dist. restrs. and SS energy: 0.149 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -392.478406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.478406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.681524 (E_RNA)
where:
Base-Base interactions energy: -265.192
where: short stacking energy: -110.679
Base-Backbone interact. energy: -0.310
local terms energy: -127.179307
where:
bonds (distance) C4'-P energy: -26.754
bonds (distance) P-C4' energy: -28.720
flat angles C4'-P-C4' energy: -25.776
flat angles P-C4'-P energy: -15.299
tors. eta vs tors. theta energy: -30.630
Dist. restrs. and SS energy: 0.203 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -386.715255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.715255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.944957 (E_RNA)
where:
Base-Base interactions energy: -259.130
where: short stacking energy: -110.484
Base-Backbone interact. energy: -1.593
local terms energy: -126.221570
where:
bonds (distance) C4'-P energy: -22.796
bonds (distance) P-C4' energy: -25.857
flat angles C4'-P-C4' energy: -24.807
flat angles P-C4'-P energy: -18.523
tors. eta vs tors. theta energy: -34.240
Dist. restrs. and SS energy: 0.230 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -379.766179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.766179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.846661 (E_RNA)
where:
Base-Base interactions energy: -259.420
where: short stacking energy: -106.779
Base-Backbone interact. energy: -0.215
local terms energy: -120.211263
where:
bonds (distance) C4'-P energy: -23.032
bonds (distance) P-C4' energy: -22.119
flat angles C4'-P-C4' energy: -31.180
flat angles P-C4'-P energy: -15.252
tors. eta vs tors. theta energy: -28.629
Dist. restrs. and SS energy: 0.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -365.808874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.808874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.896926 (E_RNA)
where:
Base-Base interactions energy: -257.634
where: short stacking energy: -98.095
Base-Backbone interact. energy: -0.321
local terms energy: -107.941293
where:
bonds (distance) C4'-P energy: -24.424
bonds (distance) P-C4' energy: -21.617
flat angles C4'-P-C4' energy: -16.054
flat angles P-C4'-P energy: -15.499
tors. eta vs tors. theta energy: -30.347
Dist. restrs. and SS energy: 0.088 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -373.867818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.867818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.927077 (E_RNA)
where:
Base-Base interactions energy: -246.288
where: short stacking energy: -99.179
Base-Backbone interact. energy: -0.225
local terms energy: -127.414782
where:
bonds (distance) C4'-P energy: -24.651
bonds (distance) P-C4' energy: -31.897
flat angles C4'-P-C4' energy: -21.327
flat angles P-C4'-P energy: -20.027
tors. eta vs tors. theta energy: -29.514
Dist. restrs. and SS energy: 0.059 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -335.700730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.700730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.303629 (E_RNA)
where:
Base-Base interactions energy: -222.005
where: short stacking energy: -88.949
Base-Backbone interact. energy: 0.649
local terms energy: -114.947923
where:
bonds (distance) C4'-P energy: -23.569
bonds (distance) P-C4' energy: -23.010
flat angles C4'-P-C4' energy: -23.428
flat angles P-C4'-P energy: -16.666
tors. eta vs tors. theta energy: -28.275
Dist. restrs. and SS energy: 0.603 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -322.419827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.419827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.577926 (E_RNA)
where:
Base-Base interactions energy: -223.908
where: short stacking energy: -79.551
Base-Backbone interact. energy: 0.323
local terms energy: -98.992507
where:
bonds (distance) C4'-P energy: -20.246
bonds (distance) P-C4' energy: -23.566
flat angles C4'-P-C4' energy: -24.311
flat angles P-C4'-P energy: -13.049
tors. eta vs tors. theta energy: -17.820
Dist. restrs. and SS energy: 0.158 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -295.778058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.778058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.228443 (E_RNA)
where:
Base-Base interactions energy: -206.690
where: short stacking energy: -69.101
Base-Backbone interact. energy: 0.192
local terms energy: -90.730573
where:
bonds (distance) C4'-P energy: -24.983
bonds (distance) P-C4' energy: -13.823
flat angles C4'-P-C4' energy: -21.637
flat angles P-C4'-P energy: -15.448
tors. eta vs tors. theta energy: -14.839
Dist. restrs. and SS energy: 1.450 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -450.358885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.358885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.465952 (E_RNA)
where:
Base-Base interactions energy: -308.300
where: short stacking energy: -121.352
Base-Backbone interact. energy: -0.897
local terms energy: -141.269608
where:
bonds (distance) C4'-P energy: -27.620
bonds (distance) P-C4' energy: -29.223
flat angles C4'-P-C4' energy: -30.579
flat angles P-C4'-P energy: -17.802
tors. eta vs tors. theta energy: -36.046
Dist. restrs. and SS energy: 0.107 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -407.735487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.735487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.100662 (E_RNA)
where:
Base-Base interactions energy: -276.869
where: short stacking energy: -125.037
Base-Backbone interact. energy: -0.282
local terms energy: -130.949771
where:
bonds (distance) C4'-P energy: -24.390
bonds (distance) P-C4' energy: -29.904
flat angles C4'-P-C4' energy: -31.026
flat angles P-C4'-P energy: -12.888
tors. eta vs tors. theta energy: -32.741
Dist. restrs. and SS energy: 0.365 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -406.546936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.546936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.852883 (E_RNA)
where:
Base-Base interactions energy: -276.420
where: short stacking energy: -103.772
Base-Backbone interact. energy: -0.184
local terms energy: -130.248909
where:
bonds (distance) C4'-P energy: -28.374
bonds (distance) P-C4' energy: -26.423
flat angles C4'-P-C4' energy: -27.511
flat angles P-C4'-P energy: -17.905
tors. eta vs tors. theta energy: -30.036
Dist. restrs. and SS energy: 0.306 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -382.281254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.281254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.471501 (E_RNA)
where:
Base-Base interactions energy: -256.030
where: short stacking energy: -99.087
Base-Backbone interact. energy: -0.331
local terms energy: -126.110882
where:
bonds (distance) C4'-P energy: -32.422
bonds (distance) P-C4' energy: -24.768
flat angles C4'-P-C4' energy: -24.601
flat angles P-C4'-P energy: -17.538
tors. eta vs tors. theta energy: -26.782
Dist. restrs. and SS energy: 0.190 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -377.375721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.375721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.518266 (E_RNA)
where:
Base-Base interactions energy: -251.494
where: short stacking energy: -97.916
Base-Backbone interact. energy: -1.219
local terms energy: -124.805106
where:
bonds (distance) C4'-P energy: -20.843
bonds (distance) P-C4' energy: -29.346
flat angles C4'-P-C4' energy: -27.189
flat angles P-C4'-P energy: -19.525
tors. eta vs tors. theta energy: -27.903
Dist. restrs. and SS energy: 0.143 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -371.610915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.610915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.082625 (E_RNA)
where:
Base-Base interactions energy: -242.853
where: short stacking energy: -98.301
Base-Backbone interact. energy: -0.535
local terms energy: -128.694219
where:
bonds (distance) C4'-P energy: -23.413
bonds (distance) P-C4' energy: -28.351
flat angles C4'-P-C4' energy: -27.417
flat angles P-C4'-P energy: -21.918
tors. eta vs tors. theta energy: -27.595
Dist. restrs. and SS energy: 0.472 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -366.247754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.247754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.981607 (E_RNA)
where:
Base-Base interactions energy: -246.290
where: short stacking energy: -107.621
Base-Backbone interact. energy: -0.989
local terms energy: -119.702667
where:
bonds (distance) C4'-P energy: -27.239
bonds (distance) P-C4' energy: -24.405
flat angles C4'-P-C4' energy: -26.532
flat angles P-C4'-P energy: -18.194
tors. eta vs tors. theta energy: -23.333
Dist. restrs. and SS energy: 0.734 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -331.625179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.625179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.399017 (E_RNA)
where:
Base-Base interactions energy: -216.891
where: short stacking energy: -95.637
Base-Backbone interact. energy: -0.253
local terms energy: -116.255522
where:
bonds (distance) C4'-P energy: -27.795
bonds (distance) P-C4' energy: -20.564
flat angles C4'-P-C4' energy: -22.135
flat angles P-C4'-P energy: -19.694
tors. eta vs tors. theta energy: -26.067
Dist. restrs. and SS energy: 1.774 (S_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: 151
Temperature: 1.300000
Total energy: -318.193436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.193436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.877569 (E_RNA)
where:
Base-Base interactions energy: -206.747
where: short stacking energy: -76.214
Base-Backbone interact. energy: -0.804
local terms energy: -111.326969
where:
bonds (distance) C4'-P energy: -25.366
bonds (distance) P-C4' energy: -26.339
flat angles C4'-P-C4' energy: -21.713
flat angles P-C4'-P energy: -16.351
tors. eta vs tors. theta energy: -21.558
Dist. restrs. and SS energy: 0.684 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -298.658010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.658010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.717296 (E_RNA)
where:
Base-Base interactions energy: -201.291
where: short stacking energy: -78.408
Base-Backbone interact. energy: 2.045
local terms energy: -100.471826
where:
bonds (distance) C4'-P energy: -19.872
bonds (distance) P-C4' energy: -23.619
flat angles C4'-P-C4' energy: -23.709
flat angles P-C4'-P energy: -19.448
tors. eta vs tors. theta energy: -13.824
Dist. restrs. and SS energy: 1.059 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -443.990314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.990314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.037922 (E_RNA)
where:
Base-Base interactions energy: -307.603
where: short stacking energy: -115.461
Base-Backbone interact. energy: -0.397
local terms energy: -136.038480
where:
bonds (distance) C4'-P energy: -30.659
bonds (distance) P-C4' energy: -30.633
flat angles C4'-P-C4' energy: -29.223
flat angles P-C4'-P energy: -15.765
tors. eta vs tors. theta energy: -29.758
Dist. restrs. and SS energy: 0.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -410.913364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.913364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.135717 (E_RNA)
where:
Base-Base interactions energy: -275.160
where: short stacking energy: -115.459
Base-Backbone interact. energy: -0.657
local terms energy: -135.319031
where:
bonds (distance) C4'-P energy: -29.555
bonds (distance) P-C4' energy: -26.018
flat angles C4'-P-C4' energy: -26.697
flat angles P-C4'-P energy: -19.369
tors. eta vs tors. theta energy: -33.680
Dist. restrs. and SS energy: 0.222 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -394.320216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.320216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.388420 (E_RNA)
where:
Base-Base interactions energy: -281.366
where: short stacking energy: -123.197
Base-Backbone interact. energy: -0.602
local terms energy: -112.419827
where:
bonds (distance) C4'-P energy: -18.198
bonds (distance) P-C4' energy: -27.998
flat angles C4'-P-C4' energy: -25.465
flat angles P-C4'-P energy: -18.446
tors. eta vs tors. theta energy: -22.312
Dist. restrs. and SS energy: 0.068 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -379.334537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.334537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.864049 (E_RNA)
where:
Base-Base interactions energy: -254.010
where: short stacking energy: -100.723
Base-Backbone interact. energy: -0.907
local terms energy: -124.947336
where:
bonds (distance) C4'-P energy: -19.837
bonds (distance) P-C4' energy: -31.113
flat angles C4'-P-C4' energy: -27.310
flat angles P-C4'-P energy: -21.620
tors. eta vs tors. theta energy: -25.068
Dist. restrs. and SS energy: 0.530 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -373.571967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.571967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.773436 (E_RNA)
where:
Base-Base interactions energy: -256.474
where: short stacking energy: -109.984
Base-Backbone interact. energy: -0.723
local terms energy: -116.576162
where:
bonds (distance) C4'-P energy: -26.225
bonds (distance) P-C4' energy: -16.346
flat angles C4'-P-C4' energy: -32.673
flat angles P-C4'-P energy: -13.155
tors. eta vs tors. theta energy: -28.178
Dist. restrs. and SS energy: 0.201 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -372.681394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.681394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.983677 (E_RNA)
where:
Base-Base interactions energy: -246.643
where: short stacking energy: -99.113
Base-Backbone interact. energy: 1.619
local terms energy: -127.959436
where:
bonds (distance) C4'-P energy: -25.188
bonds (distance) P-C4' energy: -26.888
flat angles C4'-P-C4' energy: -26.754
flat angles P-C4'-P energy: -16.740
tors. eta vs tors. theta energy: -32.389
Dist. restrs. and SS energy: 0.302 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -350.001782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.001782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.087795 (E_RNA)
where:
Base-Base interactions energy: -242.498
where: short stacking energy: -98.067
Base-Backbone interact. energy: 0.095
local terms energy: -107.684955
where:
bonds (distance) C4'-P energy: -24.736
bonds (distance) P-C4' energy: -20.085
flat angles C4'-P-C4' energy: -24.975
flat angles P-C4'-P energy: -9.482
tors. eta vs tors. theta energy: -28.408
Dist. restrs. and SS energy: 0.086 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -363.241290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.241290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.535875 (E_RNA)
where:
Base-Base interactions energy: -246.398
where: short stacking energy: -97.511
Base-Backbone interact. energy: -0.560
local terms energy: -116.577982
where:
bonds (distance) C4'-P energy: -21.219
bonds (distance) P-C4' energy: -25.019
flat angles C4'-P-C4' energy: -24.458
flat angles P-C4'-P energy: -15.095
tors. eta vs tors. theta energy: -30.788
Dist. restrs. and SS energy: 0.295 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -327.486070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.486070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.937159 (E_RNA)
where:
Base-Base interactions energy: -213.367
where: short stacking energy: -85.947
Base-Backbone interact. energy: -0.581
local terms energy: -113.988390
where:
bonds (distance) C4'-P energy: -29.171
bonds (distance) P-C4' energy: -26.987
flat angles C4'-P-C4' energy: -26.590
flat angles P-C4'-P energy: -11.756
tors. eta vs tors. theta energy: -19.484
Dist. restrs. and SS energy: 0.451 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -331.856677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.856677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.047483 (E_RNA)
where:
Base-Base interactions energy: -214.003
where: short stacking energy: -78.587
Base-Backbone interact. energy: 1.293
local terms energy: -119.337182
where:
bonds (distance) C4'-P energy: -22.881
bonds (distance) P-C4' energy: -22.265
flat angles C4'-P-C4' energy: -27.129
flat angles P-C4'-P energy: -20.409
tors. eta vs tors. theta energy: -26.653
Dist. restrs. and SS energy: 0.191 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -436.289115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.289115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.427774 (E_RNA)
where:
Base-Base interactions energy: -305.934
where: short stacking energy: -112.551
Base-Backbone interact. energy: -0.287
local terms energy: -130.205895
where:
bonds (distance) C4'-P energy: -29.908
bonds (distance) P-C4' energy: -29.800
flat angles C4'-P-C4' energy: -24.325
flat angles P-C4'-P energy: -12.290
tors. eta vs tors. theta energy: -33.884
Dist. restrs. and SS energy: 0.139 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -418.965982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.965982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.093238 (E_RNA)
where:
Base-Base interactions energy: -277.421
where: short stacking energy: -110.341
Base-Backbone interact. energy: -0.953
local terms energy: -140.719345
where:
bonds (distance) C4'-P energy: -23.832
bonds (distance) P-C4' energy: -32.952
flat angles C4'-P-C4' energy: -31.003
flat angles P-C4'-P energy: -16.884
tors. eta vs tors. theta energy: -36.049
Dist. restrs. and SS energy: 0.127 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -401.872342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.872342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.927822 (E_RNA)
where:
Base-Base interactions energy: -283.125
where: short stacking energy: -105.534
Base-Backbone interact. energy: -1.491
local terms energy: -117.311438
where:
bonds (distance) C4'-P energy: -22.552
bonds (distance) P-C4' energy: -20.445
flat angles C4'-P-C4' energy: -29.486
flat angles P-C4'-P energy: -18.821
tors. eta vs tors. theta energy: -26.007
Dist. restrs. and SS energy: 0.055 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -393.755672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.755672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.062642 (E_RNA)
where:
Base-Base interactions energy: -264.752
where: short stacking energy: -111.087
Base-Backbone interact. energy: -0.968
local terms energy: -128.341986
where:
bonds (distance) C4'-P energy: -27.692
bonds (distance) P-C4' energy: -25.358
flat angles C4'-P-C4' energy: -25.711
flat angles P-C4'-P energy: -17.425
tors. eta vs tors. theta energy: -32.156
Dist. restrs. and SS energy: 0.307 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -370.541130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.541130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.667186 (E_RNA)
where:
Base-Base interactions energy: -252.674
where: short stacking energy: -97.799
Base-Backbone interact. energy: -2.093
local terms energy: -115.899712
where:
bonds (distance) C4'-P energy: -24.731
bonds (distance) P-C4' energy: -26.949
flat angles C4'-P-C4' energy: -26.528
flat angles P-C4'-P energy: -12.835
tors. eta vs tors. theta energy: -24.857
Dist. restrs. and SS energy: 0.126 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -366.543094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.543094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.958714 (E_RNA)
where:
Base-Base interactions energy: -241.534
where: short stacking energy: -92.950
Base-Backbone interact. energy: 0.162
local terms energy: -125.586842
where:
bonds (distance) C4'-P energy: -24.168
bonds (distance) P-C4' energy: -22.633
flat angles C4'-P-C4' energy: -30.473
flat angles P-C4'-P energy: -19.982
tors. eta vs tors. theta energy: -28.331
Dist. restrs. and SS energy: 0.416 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -355.804851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.804851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.160220 (E_RNA)
where:
Base-Base interactions energy: -241.617
where: short stacking energy: -84.904
Base-Backbone interact. energy: 1.866
local terms energy: -116.408882
where:
bonds (distance) C4'-P energy: -25.932
bonds (distance) P-C4' energy: -25.251
flat angles C4'-P-C4' energy: -28.906
flat angles P-C4'-P energy: -15.428
tors. eta vs tors. theta energy: -20.892
Dist. restrs. and SS energy: 0.355 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -334.274713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.274713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.899435 (E_RNA)
where:
Base-Base interactions energy: -228.317
where: short stacking energy: -84.268
Base-Backbone interact. energy: -0.798
local terms energy: -105.784878
where:
bonds (distance) C4'-P energy: -19.344
bonds (distance) P-C4' energy: -28.083
flat angles C4'-P-C4' energy: -19.966
flat angles P-C4'-P energy: -17.413
tors. eta vs tors. theta energy: -20.978
Dist. restrs. and SS energy: 0.625 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -323.293169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.293169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.585492 (E_RNA)
where:
Base-Base interactions energy: -216.956
where: short stacking energy: -75.937
Base-Backbone interact. energy: -1.959
local terms energy: -104.670530
where:
bonds (distance) C4'-P energy: -20.955
bonds (distance) P-C4' energy: -27.543
flat angles C4'-P-C4' energy: -22.896
flat angles P-C4'-P energy: -12.610
tors. eta vs tors. theta energy: -20.666
Dist. restrs. and SS energy: 0.292 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -343.229620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.229620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.809281 (E_RNA)
where:
Base-Base interactions energy: -232.358
where: short stacking energy: -97.391
Base-Backbone interact. energy: -0.300
local terms energy: -111.151390
where:
bonds (distance) C4'-P energy: -24.755
bonds (distance) P-C4' energy: -23.872
flat angles C4'-P-C4' energy: -27.178
flat angles P-C4'-P energy: -10.171
tors. eta vs tors. theta energy: -25.176
Dist. restrs. and SS energy: 0.580 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -443.590750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.590750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.848968 (E_RNA)
where:
Base-Base interactions energy: -310.006
where: short stacking energy: -118.248
Base-Backbone interact. energy: -0.587
local terms energy: -133.255687
where:
bonds (distance) C4'-P energy: -25.455
bonds (distance) P-C4' energy: -26.285
flat angles C4'-P-C4' energy: -30.912
flat angles P-C4'-P energy: -15.477
tors. eta vs tors. theta energy: -35.127
Dist. restrs. and SS energy: 0.258 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -422.354737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.354737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.726809 (E_RNA)
where:
Base-Base interactions energy: -293.231
where: short stacking energy: -119.559
Base-Backbone interact. energy: -0.424
local terms energy: -129.071342
where:
bonds (distance) C4'-P energy: -29.858
bonds (distance) P-C4' energy: -22.822
flat angles C4'-P-C4' energy: -23.898
flat angles P-C4'-P energy: -14.947
tors. eta vs tors. theta energy: -37.547
Dist. restrs. and SS energy: 0.372 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -391.563151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.563151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.900974 (E_RNA)
where:
Base-Base interactions energy: -266.497
where: short stacking energy: -109.157
Base-Backbone interact. energy: -0.639
local terms energy: -124.765258
where:
bonds (distance) C4'-P energy: -25.961
bonds (distance) P-C4' energy: -26.682
flat angles C4'-P-C4' energy: -21.794
flat angles P-C4'-P energy: -17.478
tors. eta vs tors. theta energy: -32.851
Dist. restrs. and SS energy: 0.338 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -391.635750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.635750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.029692 (E_RNA)
where:
Base-Base interactions energy: -272.085
where: short stacking energy: -108.822
Base-Backbone interact. energy: -0.382
local terms energy: -119.563299
where:
bonds (distance) C4'-P energy: -23.374
bonds (distance) P-C4' energy: -23.982
flat angles C4'-P-C4' energy: -21.325
flat angles P-C4'-P energy: -18.894
tors. eta vs tors. theta energy: -31.987
Dist. restrs. and SS energy: 0.394 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -373.628263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.628263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.058713 (E_RNA)
where:
Base-Base interactions energy: -251.819
where: short stacking energy: -94.022
Base-Backbone interact. energy: -0.593
local terms energy: -121.646865
where:
bonds (distance) C4'-P energy: -25.433
bonds (distance) P-C4' energy: -25.529
flat angles C4'-P-C4' energy: -27.843
flat angles P-C4'-P energy: -15.169
tors. eta vs tors. theta energy: -27.672
Dist. restrs. and SS energy: 0.430 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -366.300970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.300970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.143715 (E_RNA)
where:
Base-Base interactions energy: -240.030
where: short stacking energy: -96.263
Base-Backbone interact. energy: 0.191
local terms energy: -127.304908
where:
bonds (distance) C4'-P energy: -22.026
bonds (distance) P-C4' energy: -26.606
flat angles C4'-P-C4' energy: -30.702
flat angles P-C4'-P energy: -20.993
tors. eta vs tors. theta energy: -26.978
Dist. restrs. and SS energy: 0.843 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -353.005047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.005047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.106397 (E_RNA)
where:
Base-Base interactions energy: -239.423
where: short stacking energy: -88.438
Base-Backbone interact. energy: 1.365
local terms energy: -115.048321
where:
bonds (distance) C4'-P energy: -26.400
bonds (distance) P-C4' energy: -24.923
flat angles C4'-P-C4' energy: -23.725
flat angles P-C4'-P energy: -19.290
tors. eta vs tors. theta energy: -20.710
Dist. restrs. and SS energy: 0.101 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -351.086748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.086748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.291569 (E_RNA)
where:
Base-Base interactions energy: -241.768
where: short stacking energy: -92.316
Base-Backbone interact. energy: -0.991
local terms energy: -108.532684
where:
bonds (distance) C4'-P energy: -19.762
bonds (distance) P-C4' energy: -21.524
flat angles C4'-P-C4' energy: -27.788
flat angles P-C4'-P energy: -15.719
tors. eta vs tors. theta energy: -23.740
Dist. restrs. and SS energy: 0.205 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -355.087470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.087470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.220395 (E_RNA)
where:
Base-Base interactions energy: -245.332
where: short stacking energy: -102.561
Base-Backbone interact. energy: 0.688
local terms energy: -110.576336
where:
bonds (distance) C4'-P energy: -22.080
bonds (distance) P-C4' energy: -29.928
flat angles C4'-P-C4' energy: -22.472
flat angles P-C4'-P energy: -6.049
tors. eta vs tors. theta energy: -30.047
Dist. restrs. and SS energy: 0.133 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -321.933867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.933867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.379077 (E_RNA)
where:
Base-Base interactions energy: -212.588
where: short stacking energy: -78.284
Base-Backbone interact. energy: 1.663
local terms energy: -111.454065
where:
bonds (distance) C4'-P energy: -22.196
bonds (distance) P-C4' energy: -29.686
flat angles C4'-P-C4' energy: -22.448
flat angles P-C4'-P energy: -13.976
tors. eta vs tors. theta energy: -23.148
Dist. restrs. and SS energy: 0.445 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -435.451098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.451098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.767402 (E_RNA)
where:
Base-Base interactions energy: -304.871
where: short stacking energy: -116.531
Base-Backbone interact. energy: -0.056
local terms energy: -130.840991
where:
bonds (distance) C4'-P energy: -23.840
bonds (distance) P-C4' energy: -25.380
flat angles C4'-P-C4' energy: -29.674
flat angles P-C4'-P energy: -17.083
tors. eta vs tors. theta energy: -34.864
Dist. restrs. and SS energy: 0.316 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -411.895259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.895259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.067409 (E_RNA)
where:
Base-Base interactions energy: -284.733
where: short stacking energy: -111.523
Base-Backbone interact. energy: -0.359
local terms energy: -126.975834
where:
bonds (distance) C4'-P energy: -25.360
bonds (distance) P-C4' energy: -26.749
flat angles C4'-P-C4' energy: -24.741
flat angles P-C4'-P energy: -14.785
tors. eta vs tors. theta energy: -35.340
Dist. restrs. and SS energy: 0.172 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -386.618642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.618642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.937345 (E_RNA)
where:
Base-Base interactions energy: -262.761
where: short stacking energy: -112.964
Base-Backbone interact. energy: 0.402
local terms energy: -124.577921
where:
bonds (distance) C4'-P energy: -23.077
bonds (distance) P-C4' energy: -22.684
flat angles C4'-P-C4' energy: -29.492
flat angles P-C4'-P energy: -18.763
tors. eta vs tors. theta energy: -30.561
Dist. restrs. and SS energy: 0.319 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -394.196073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.196073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.845228 (E_RNA)
where:
Base-Base interactions energy: -269.546
where: short stacking energy: -103.457
Base-Backbone interact. energy: -0.297
local terms energy: -125.002111
where:
bonds (distance) C4'-P energy: -21.157
bonds (distance) P-C4' energy: -25.308
flat angles C4'-P-C4' energy: -31.181
flat angles P-C4'-P energy: -14.538
tors. eta vs tors. theta energy: -32.818
Dist. restrs. and SS energy: 0.649 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -363.275900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.275900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.709967 (E_RNA)
where:
Base-Base interactions energy: -236.116
where: short stacking energy: -95.011
Base-Backbone interact. energy: -0.770
local terms energy: -126.824108
where:
bonds (distance) C4'-P energy: -23.428
bonds (distance) P-C4' energy: -29.564
flat angles C4'-P-C4' energy: -28.198
flat angles P-C4'-P energy: -15.446
tors. eta vs tors. theta energy: -30.189
Dist. restrs. and SS energy: 0.434 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -352.810789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.810789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.089078 (E_RNA)
where:
Base-Base interactions energy: -226.146
where: short stacking energy: -89.033
Base-Backbone interact. energy: -1.243
local terms energy: -125.700328
where:
bonds (distance) C4'-P energy: -27.617
bonds (distance) P-C4' energy: -25.910
flat angles C4'-P-C4' energy: -30.033
flat angles P-C4'-P energy: -15.386
tors. eta vs tors. theta energy: -26.756
Dist. restrs. and SS energy: 0.278 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -358.477990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.477990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.935264 (E_RNA)
where:
Base-Base interactions energy: -247.777
where: short stacking energy: -97.783
Base-Backbone interact. energy: 0.949
local terms energy: -112.107580
where:
bonds (distance) C4'-P energy: -26.507
bonds (distance) P-C4' energy: -25.057
flat angles C4'-P-C4' energy: -26.182
flat angles P-C4'-P energy: -11.832
tors. eta vs tors. theta energy: -22.531
Dist. restrs. and SS energy: 0.457 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -351.112719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.112719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.441838 (E_RNA)
where:
Base-Base interactions energy: -233.898
where: short stacking energy: -87.359
Base-Backbone interact. energy: 0.746
local terms energy: -118.290054
where:
bonds (distance) C4'-P energy: -19.663
bonds (distance) P-C4' energy: -19.885
flat angles C4'-P-C4' energy: -29.110
flat angles P-C4'-P energy: -15.293
tors. eta vs tors. theta energy: -34.339
Dist. restrs. and SS energy: 0.329 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -334.564953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.564953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.380750 (E_RNA)
where:
Base-Base interactions energy: -228.811
where: short stacking energy: -80.644
Base-Backbone interact. energy: -0.908
local terms energy: -105.662606
where:
bonds (distance) C4'-P energy: -22.403
bonds (distance) P-C4' energy: -25.721
flat angles C4'-P-C4' energy: -26.208
flat angles P-C4'-P energy: -4.475
tors. eta vs tors. theta energy: -26.856
Dist. restrs. and SS energy: 0.816 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -319.850344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.850344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.140132 (E_RNA)
where:
Base-Base interactions energy: -211.051
where: short stacking energy: -80.621
Base-Backbone interact. energy: -0.192
local terms energy: -108.896810
where:
bonds (distance) C4'-P energy: -19.626
bonds (distance) P-C4' energy: -26.405
flat angles C4'-P-C4' energy: -23.448
flat angles P-C4'-P energy: -21.310
tors. eta vs tors. theta energy: -18.109
Dist. restrs. and SS energy: 0.290 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -417.879339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.879339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.818067 (E_RNA)
where:
Base-Base interactions energy: -277.431
where: short stacking energy: -112.227
Base-Backbone interact. energy: -0.525
local terms energy: -140.862383
where:
bonds (distance) C4'-P energy: -29.346
bonds (distance) P-C4' energy: -29.781
flat angles C4'-P-C4' energy: -31.303
flat angles P-C4'-P energy: -15.390
tors. eta vs tors. theta energy: -35.042
Dist. restrs. and SS energy: 0.939 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -435.808955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.808955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.864448 (E_RNA)
where:
Base-Base interactions energy: -292.865
where: short stacking energy: -116.724
Base-Backbone interact. energy: -0.661
local terms energy: -142.338374
where:
bonds (distance) C4'-P energy: -27.438
bonds (distance) P-C4' energy: -28.361
flat angles C4'-P-C4' energy: -29.274
flat angles P-C4'-P energy: -21.414
tors. eta vs tors. theta energy: -35.852
Dist. restrs. and SS energy: 0.055 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -415.315700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.315700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.553782 (E_RNA)
where:
Base-Base interactions energy: -276.365
where: short stacking energy: -116.885
Base-Backbone interact. energy: -0.042
local terms energy: -139.146292
where:
bonds (distance) C4'-P energy: -27.934
bonds (distance) P-C4' energy: -27.707
flat angles C4'-P-C4' energy: -28.015
flat angles P-C4'-P energy: -19.606
tors. eta vs tors. theta energy: -35.884
Dist. restrs. and SS energy: 0.238 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -385.229747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.229747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.508918 (E_RNA)
where:
Base-Base interactions energy: -252.976
where: short stacking energy: -104.838
Base-Backbone interact. energy: -0.646
local terms energy: -131.886627
where:
bonds (distance) C4'-P energy: -30.974
bonds (distance) P-C4' energy: -27.532
flat angles C4'-P-C4' energy: -29.818
flat angles P-C4'-P energy: -14.686
tors. eta vs tors. theta energy: -28.877
Dist. restrs. and SS energy: 0.279 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -372.037843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.037843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.401113 (E_RNA)
where:
Base-Base interactions energy: -234.889
where: short stacking energy: -110.020
Base-Backbone interact. energy: -0.137
local terms energy: -137.375022
where:
bonds (distance) C4'-P energy: -30.385
bonds (distance) P-C4' energy: -23.722
flat angles C4'-P-C4' energy: -30.920
flat angles P-C4'-P energy: -18.181
tors. eta vs tors. theta energy: -34.167
Dist. restrs. and SS energy: 0.363 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -361.770021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.770021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.792036 (E_RNA)
where:
Base-Base interactions energy: -239.619
where: short stacking energy: -97.835
Base-Backbone interact. energy: -0.397
local terms energy: -121.775540
where:
bonds (distance) C4'-P energy: -26.696
bonds (distance) P-C4' energy: -29.357
flat angles C4'-P-C4' energy: -20.738
flat angles P-C4'-P energy: -14.730
tors. eta vs tors. theta energy: -30.253
Dist. restrs. and SS energy: 0.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -379.212805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.212805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.385491 (E_RNA)
where:
Base-Base interactions energy: -248.998
where: short stacking energy: -101.472
Base-Backbone interact. energy: -0.171
local terms energy: -130.216127
where:
bonds (distance) C4'-P energy: -23.485
bonds (distance) P-C4' energy: -26.905
flat angles C4'-P-C4' energy: -31.895
flat angles P-C4'-P energy: -17.776
tors. eta vs tors. theta energy: -30.154
Dist. restrs. and SS energy: 0.173 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -336.253508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.253508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.449392 (E_RNA)
where:
Base-Base interactions energy: -224.075
where: short stacking energy: -90.269
Base-Backbone interact. energy: 0.791
local terms energy: -113.164838
where:
bonds (distance) C4'-P energy: -20.732
bonds (distance) P-C4' energy: -21.034
flat angles C4'-P-C4' energy: -28.403
flat angles P-C4'-P energy: -19.670
tors. eta vs tors. theta energy: -23.326
Dist. restrs. and SS energy: 0.196 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -318.558917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.558917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.869348 (E_RNA)
where:
Base-Base interactions energy: -208.031
where: short stacking energy: -77.834
Base-Backbone interact. energy: -0.439
local terms energy: -110.399445
where:
bonds (distance) C4'-P energy: -29.379
bonds (distance) P-C4' energy: -19.645
flat angles C4'-P-C4' energy: -26.618
flat angles P-C4'-P energy: -11.560
tors. eta vs tors. theta energy: -23.197
Dist. restrs. and SS energy: 0.310 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -330.492685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.492685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.693102 (E_RNA)
where:
Base-Base interactions energy: -209.262
where: short stacking energy: -76.348
Base-Backbone interact. energy: 0.615
local terms energy: -122.046936
where:
bonds (distance) C4'-P energy: -22.253
bonds (distance) P-C4' energy: -22.955
flat angles C4'-P-C4' energy: -24.546
flat angles P-C4'-P energy: -20.702
tors. eta vs tors. theta energy: -31.589
Dist. restrs. and SS energy: 0.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -414.945681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.945681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.527881 (E_RNA)
where:
Base-Base interactions energy: -287.851
where: short stacking energy: -114.360
Base-Backbone interact. energy: -0.331
local terms energy: -127.345718
where:
bonds (distance) C4'-P energy: -23.144
bonds (distance) P-C4' energy: -28.482
flat angles C4'-P-C4' energy: -29.120
flat angles P-C4'-P energy: -14.253
tors. eta vs tors. theta energy: -32.347
Dist. restrs. and SS energy: 0.582 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -435.051762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.051762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.191887 (E_RNA)
where:
Base-Base interactions energy: -303.203
where: short stacking energy: -114.549
Base-Backbone interact. energy: -0.466
local terms energy: -131.522838
where:
bonds (distance) C4'-P energy: -23.820
bonds (distance) P-C4' energy: -31.222
flat angles C4'-P-C4' energy: -27.750
flat angles P-C4'-P energy: -21.092
tors. eta vs tors. theta energy: -27.638
Dist. restrs. and SS energy: 0.140 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -405.882099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.882099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.003933 (E_RNA)
where:
Base-Base interactions energy: -271.187
where: short stacking energy: -115.886
Base-Backbone interact. energy: -0.220
local terms energy: -134.597320
where:
bonds (distance) C4'-P energy: -26.824
bonds (distance) P-C4' energy: -29.270
flat angles C4'-P-C4' energy: -25.627
flat angles P-C4'-P energy: -18.324
tors. eta vs tors. theta energy: -34.552
Dist. restrs. and SS energy: 0.122 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -384.135841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.135841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.653524 (E_RNA)
where:
Base-Base interactions energy: -261.666
where: short stacking energy: -101.157
Base-Backbone interact. energy: -1.130
local terms energy: -121.857869
where:
bonds (distance) C4'-P energy: -27.475
bonds (distance) P-C4' energy: -27.984
flat angles C4'-P-C4' energy: -28.067
flat angles P-C4'-P energy: -9.105
tors. eta vs tors. theta energy: -29.227
Dist. restrs. and SS energy: 0.518 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -371.682334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.682334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.223016 (E_RNA)
where:
Base-Base interactions energy: -235.838
where: short stacking energy: -102.922
Base-Backbone interact. energy: -0.382
local terms energy: -136.003506
where:
bonds (distance) C4'-P energy: -23.733
bonds (distance) P-C4' energy: -31.235
flat angles C4'-P-C4' energy: -30.305
flat angles P-C4'-P energy: -16.199
tors. eta vs tors. theta energy: -34.531
Dist. restrs. and SS energy: 0.541 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -373.004787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.004787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.335238 (E_RNA)
where:
Base-Base interactions energy: -256.652
where: short stacking energy: -101.604
Base-Backbone interact. energy: 0.385
local terms energy: -117.068802
where:
bonds (distance) C4'-P energy: -18.173
bonds (distance) P-C4' energy: -25.576
flat angles C4'-P-C4' energy: -25.338
flat angles P-C4'-P energy: -19.515
tors. eta vs tors. theta energy: -28.467
Dist. restrs. and SS energy: 0.330 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -373.784055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.784055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.202703 (E_RNA)
where:
Base-Base interactions energy: -263.641
where: short stacking energy: -101.569
Base-Backbone interact. energy: -0.454
local terms energy: -110.107257
where:
bonds (distance) C4'-P energy: -20.704
bonds (distance) P-C4' energy: -25.234
flat angles C4'-P-C4' energy: -20.900
flat angles P-C4'-P energy: -13.500
tors. eta vs tors. theta energy: -29.770
Dist. restrs. and SS energy: 0.419 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -333.869816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.869816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.069852 (E_RNA)
where:
Base-Base interactions energy: -232.147
where: short stacking energy: -88.658
Base-Backbone interact. energy: -0.183
local terms energy: -101.739801
where:
bonds (distance) C4'-P energy: -17.858
bonds (distance) P-C4' energy: -19.382
flat angles C4'-P-C4' energy: -26.147
flat angles P-C4'-P energy: -16.293
tors. eta vs tors. theta energy: -22.059
Dist. restrs. and SS energy: 0.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -322.554207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.554207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.175822 (E_RNA)
where:
Base-Base interactions energy: -214.443
where: short stacking energy: -83.942
Base-Backbone interact. energy: -0.218
local terms energy: -108.514533
where:
bonds (distance) C4'-P energy: -27.881
bonds (distance) P-C4' energy: -29.685
flat angles C4'-P-C4' energy: -20.370
flat angles P-C4'-P energy: -12.235
tors. eta vs tors. theta energy: -18.343
Dist. restrs. and SS energy: 0.622 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -321.211242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.211242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.691207 (E_RNA)
where:
Base-Base interactions energy: -208.701
where: short stacking energy: -92.882
Base-Backbone interact. energy: -0.377
local terms energy: -112.613489
where:
bonds (distance) C4'-P energy: -24.416
bonds (distance) P-C4' energy: -24.420
flat angles C4'-P-C4' energy: -22.566
flat angles P-C4'-P energy: -10.362
tors. eta vs tors. theta energy: -30.850
Dist. restrs. and SS energy: 0.480 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -445.080937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.080937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.238019 (E_RNA)
where:
Base-Base interactions energy: -310.418
where: short stacking energy: -114.594
Base-Backbone interact. energy: -0.602
local terms energy: -134.217905
where:
bonds (distance) C4'-P energy: -27.970
bonds (distance) P-C4' energy: -25.218
flat angles C4'-P-C4' energy: -33.766
flat angles P-C4'-P energy: -16.600
tors. eta vs tors. theta energy: -30.664
Dist. restrs. and SS energy: 0.157 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -403.460902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.460902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.614990 (E_RNA)
where:
Base-Base interactions energy: -272.697
where: short stacking energy: -113.104
Base-Backbone interact. energy: 1.390
local terms energy: -132.307643
where:
bonds (distance) C4'-P energy: -24.911
bonds (distance) P-C4' energy: -27.827
flat angles C4'-P-C4' energy: -32.455
flat angles P-C4'-P energy: -19.743
tors. eta vs tors. theta energy: -27.372
Dist. restrs. and SS energy: 0.154 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -409.249016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.249016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.585707 (E_RNA)
where:
Base-Base interactions energy: -277.428
where: short stacking energy: -104.462
Base-Backbone interact. energy: -1.119
local terms energy: -131.038279
where:
bonds (distance) C4'-P energy: -27.287
bonds (distance) P-C4' energy: -24.814
flat angles C4'-P-C4' energy: -30.180
flat angles P-C4'-P energy: -17.393
tors. eta vs tors. theta energy: -31.364
Dist. restrs. and SS energy: 0.337 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -387.106231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.106231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.234452 (E_RNA)
where:
Base-Base interactions energy: -270.264
where: short stacking energy: -110.925
Base-Backbone interact. energy: 1.162
local terms energy: -118.132045
where:
bonds (distance) C4'-P energy: -26.234
bonds (distance) P-C4' energy: -23.944
flat angles C4'-P-C4' energy: -25.499
flat angles P-C4'-P energy: -13.235
tors. eta vs tors. theta energy: -29.220
Dist. restrs. and SS energy: 0.128 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -396.199905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.199905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.340435 (E_RNA)
where:
Base-Base interactions energy: -266.170
where: short stacking energy: -104.654
Base-Backbone interact. energy: -0.578
local terms energy: -129.592631
where:
bonds (distance) C4'-P energy: -22.825
bonds (distance) P-C4' energy: -25.450
flat angles C4'-P-C4' energy: -27.537
flat angles P-C4'-P energy: -24.311
tors. eta vs tors. theta energy: -29.470
Dist. restrs. and SS energy: 0.141 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -371.314017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.314017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.481983 (E_RNA)
where:
Base-Base interactions energy: -253.254
where: short stacking energy: -95.405
Base-Backbone interact. energy: -0.154
local terms energy: -118.073375
where:
bonds (distance) C4'-P energy: -27.321
bonds (distance) P-C4' energy: -21.045
flat angles C4'-P-C4' energy: -24.615
flat angles P-C4'-P energy: -13.221
tors. eta vs tors. theta energy: -31.871
Dist. restrs. and SS energy: 0.168 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -375.375518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.375518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.765267 (E_RNA)
where:
Base-Base interactions energy: -263.793
where: short stacking energy: -102.936
Base-Backbone interact. energy: -0.812
local terms energy: -111.160107
where:
bonds (distance) C4'-P energy: -26.763
bonds (distance) P-C4' energy: -21.366
flat angles C4'-P-C4' energy: -21.567
flat angles P-C4'-P energy: -16.955
tors. eta vs tors. theta energy: -24.509
Dist. restrs. and SS energy: 0.390 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -327.757277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.757277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.416143 (E_RNA)
where:
Base-Base interactions energy: -225.609
where: short stacking energy: -89.754
Base-Backbone interact. energy: -0.533
local terms energy: -102.273987
where:
bonds (distance) C4'-P energy: -21.886
bonds (distance) P-C4' energy: -19.974
flat angles C4'-P-C4' energy: -25.483
flat angles P-C4'-P energy: -7.478
tors. eta vs tors. theta energy: -27.453
Dist. restrs. and SS energy: 0.659 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -324.448098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.448098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.665332 (E_RNA)
where:
Base-Base interactions energy: -233.620
where: short stacking energy: -96.549
Base-Backbone interact. energy: 1.173
local terms energy: -92.217914
where:
bonds (distance) C4'-P energy: -15.851
bonds (distance) P-C4' energy: -27.495
flat angles C4'-P-C4' energy: -16.676
flat angles P-C4'-P energy: -11.255
tors. eta vs tors. theta energy: -20.941
Dist. restrs. and SS energy: 0.217 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -334.268773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.268773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.941082 (E_RNA)
where:
Base-Base interactions energy: -228.517
where: short stacking energy: -88.641
Base-Backbone interact. energy: 0.975
local terms energy: -107.398951
where:
bonds (distance) C4'-P energy: -25.587
bonds (distance) P-C4' energy: -20.853
flat angles C4'-P-C4' energy: -24.279
flat angles P-C4'-P energy: -14.393
tors. eta vs tors. theta energy: -22.287
Dist. restrs. and SS energy: 0.672 (S_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: 159
Temperature: 0.900000
Total energy: -432.668128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.668128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.737198 (E_RNA)
where:
Base-Base interactions energy: -302.084
where: short stacking energy: -115.997
Base-Backbone interact. energy: -0.215
local terms energy: -130.438090
where:
bonds (distance) C4'-P energy: -27.678
bonds (distance) P-C4' energy: -25.484
flat angles C4'-P-C4' energy: -29.768
flat angles P-C4'-P energy: -16.037
tors. eta vs tors. theta energy: -31.470
Dist. restrs. and SS energy: 0.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -406.700633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.700633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.886378 (E_RNA)
where:
Base-Base interactions energy: -274.699
where: short stacking energy: -110.783
Base-Backbone interact. energy: -0.266
local terms energy: -131.920704
where:
bonds (distance) C4'-P energy: -26.709
bonds (distance) P-C4' energy: -28.132
flat angles C4'-P-C4' energy: -24.851
flat angles P-C4'-P energy: -17.290
tors. eta vs tors. theta energy: -34.939
Dist. restrs. and SS energy: 0.186 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -398.038865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.038865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.422910 (E_RNA)
where:
Base-Base interactions energy: -271.931
where: short stacking energy: -113.007
Base-Backbone interact. energy: -0.131
local terms energy: -126.361319
where:
bonds (distance) C4'-P energy: -23.998
bonds (distance) P-C4' energy: -23.293
flat angles C4'-P-C4' energy: -26.842
flat angles P-C4'-P energy: -19.277
tors. eta vs tors. theta energy: -32.952
Dist. restrs. and SS energy: 0.384 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -396.985050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.985050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.134342 (E_RNA)
where:
Base-Base interactions energy: -266.044
where: short stacking energy: -110.909
Base-Backbone interact. energy: -1.204
local terms energy: -129.886153
where:
bonds (distance) C4'-P energy: -30.883
bonds (distance) P-C4' energy: -29.304
flat angles C4'-P-C4' energy: -27.129
flat angles P-C4'-P energy: -9.173
tors. eta vs tors. theta energy: -33.397
Dist. restrs. and SS energy: 0.149 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -386.575500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.575500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.651209 (E_RNA)
where:
Base-Base interactions energy: -266.897
where: short stacking energy: -108.913
Base-Backbone interact. energy: -1.589
local terms energy: -118.164977
where:
bonds (distance) C4'-P energy: -19.856
bonds (distance) P-C4' energy: -26.517
flat angles C4'-P-C4' energy: -27.358
flat angles P-C4'-P energy: -15.521
tors. eta vs tors. theta energy: -28.913
Dist. restrs. and SS energy: 0.076 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -368.383421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.383421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.834620 (E_RNA)
where:
Base-Base interactions energy: -257.921
where: short stacking energy: -99.952
Base-Backbone interact. energy: 0.623
local terms energy: -111.536333
where:
bonds (distance) C4'-P energy: -23.841
bonds (distance) P-C4' energy: -24.554
flat angles C4'-P-C4' energy: -27.373
flat angles P-C4'-P energy: -12.267
tors. eta vs tors. theta energy: -23.501
Dist. restrs. and SS energy: 0.451 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -363.993429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.993429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.177477 (E_RNA)
where:
Base-Base interactions energy: -249.679
where: short stacking energy: -99.963
Base-Backbone interact. energy: -1.059
local terms energy: -113.439614
where:
bonds (distance) C4'-P energy: -26.151
bonds (distance) P-C4' energy: -24.023
flat angles C4'-P-C4' energy: -23.827
flat angles P-C4'-P energy: -13.035
tors. eta vs tors. theta energy: -26.403
Dist. restrs. and SS energy: 0.184 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -339.037992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.037992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.125086 (E_RNA)
where:
Base-Base interactions energy: -225.435
where: short stacking energy: -99.678
Base-Backbone interact. energy: -0.173
local terms energy: -114.517297
where:
bonds (distance) C4'-P energy: -23.224
bonds (distance) P-C4' energy: -26.958
flat angles C4'-P-C4' energy: -20.795
flat angles P-C4'-P energy: -21.169
tors. eta vs tors. theta energy: -22.372
Dist. restrs. and SS energy: 1.087 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -323.404193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.404193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.583277 (E_RNA)
where:
Base-Base interactions energy: -223.882
where: short stacking energy: -74.144
Base-Backbone interact. energy: 1.328
local terms energy: -101.028852
where:
bonds (distance) C4'-P energy: -17.146
bonds (distance) P-C4' energy: -20.772
flat angles C4'-P-C4' energy: -28.183
flat angles P-C4'-P energy: -13.868
tors. eta vs tors. theta energy: -21.061
Dist. restrs. and SS energy: 0.179 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -326.397733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.397733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.502579 (E_RNA)
where:
Base-Base interactions energy: -220.843
where: short stacking energy: -83.348
Base-Backbone interact. energy: 0.431
local terms energy: -106.090721
where:
bonds (distance) C4'-P energy: -26.577
bonds (distance) P-C4' energy: -22.589
flat angles C4'-P-C4' energy: -25.192
flat angles P-C4'-P energy: -16.337
tors. eta vs tors. theta energy: -15.396
Dist. restrs. and SS energy: 0.105 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -442.136461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.136461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.631896 (E_RNA)
where:
Base-Base interactions energy: -308.517
where: short stacking energy: -122.145
Base-Backbone interact. energy: -1.367
local terms energy: -132.746968
where:
bonds (distance) C4'-P energy: -28.217
bonds (distance) P-C4' energy: -27.080
flat angles C4'-P-C4' energy: -29.083
flat angles P-C4'-P energy: -14.713
tors. eta vs tors. theta energy: -33.654
Dist. restrs. and SS energy: 0.495 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -405.696615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.696615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.891667 (E_RNA)
where:
Base-Base interactions energy: -275.335
where: short stacking energy: -111.572
Base-Backbone interact. energy: -0.217
local terms energy: -130.339697
where:
bonds (distance) C4'-P energy: -21.900
bonds (distance) P-C4' energy: -24.078
flat angles C4'-P-C4' energy: -29.413
flat angles P-C4'-P energy: -20.624
tors. eta vs tors. theta energy: -34.325
Dist. restrs. and SS energy: 0.195 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -394.679037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.679037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.820395 (E_RNA)
where:
Base-Base interactions energy: -264.945
where: short stacking energy: -112.589
Base-Backbone interact. energy: -1.221
local terms energy: -128.654096
where:
bonds (distance) C4'-P energy: -21.566
bonds (distance) P-C4' energy: -29.294
flat angles C4'-P-C4' energy: -27.836
flat angles P-C4'-P energy: -19.648
tors. eta vs tors. theta energy: -30.311
Dist. restrs. and SS energy: 0.141 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -382.455902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.455902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.776479 (E_RNA)
where:
Base-Base interactions energy: -258.419
where: short stacking energy: -102.656
Base-Backbone interact. energy: 0.275
local terms energy: -124.631771
where:
bonds (distance) C4'-P energy: -28.002
bonds (distance) P-C4' energy: -27.263
flat angles C4'-P-C4' energy: -23.848
flat angles P-C4'-P energy: -14.678
tors. eta vs tors. theta energy: -30.840
Dist. restrs. and SS energy: 0.321 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -370.023237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.023237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.295413 (E_RNA)
where:
Base-Base interactions energy: -245.573
where: short stacking energy: -89.205
Base-Backbone interact. energy: -0.167
local terms energy: -124.555042
where:
bonds (distance) C4'-P energy: -28.680
bonds (distance) P-C4' energy: -29.388
flat angles C4'-P-C4' energy: -27.833
flat angles P-C4'-P energy: -12.060
tors. eta vs tors. theta energy: -26.594
Dist. restrs. and SS energy: 0.272 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -364.163278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.163278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.313934 (E_RNA)
where:
Base-Base interactions energy: -239.777
where: short stacking energy: -95.345
Base-Backbone interact. energy: -1.605
local terms energy: -122.931382
where:
bonds (distance) C4'-P energy: -24.495
bonds (distance) P-C4' energy: -19.890
flat angles C4'-P-C4' energy: -29.819
flat angles P-C4'-P energy: -21.658
tors. eta vs tors. theta energy: -27.069
Dist. restrs. and SS energy: 0.151 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -346.613538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.613538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.734915 (E_RNA)
where:
Base-Base interactions energy: -238.636
where: short stacking energy: -96.217
Base-Backbone interact. energy: -0.971
local terms energy: -107.127698
where:
bonds (distance) C4'-P energy: -22.221
bonds (distance) P-C4' energy: -22.903
flat angles C4'-P-C4' energy: -19.766
flat angles P-C4'-P energy: -17.573
tors. eta vs tors. theta energy: -24.665
Dist. restrs. and SS energy: 0.121 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -347.025361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.025361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.400588 (E_RNA)
where:
Base-Base interactions energy: -237.252
where: short stacking energy: -99.022
Base-Backbone interact. energy: -0.816
local terms energy: -109.332515
where:
bonds (distance) C4'-P energy: -20.906
bonds (distance) P-C4' energy: -17.895
flat angles C4'-P-C4' energy: -23.876
flat angles P-C4'-P energy: -21.830
tors. eta vs tors. theta energy: -24.827
Dist. restrs. and SS energy: 0.375 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -334.003285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.003285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.329146 (E_RNA)
where:
Base-Base interactions energy: -236.761
where: short stacking energy: -87.701
Base-Backbone interact. energy: 0.363
local terms energy: -97.930480
where:
bonds (distance) C4'-P energy: -18.367
bonds (distance) P-C4' energy: -15.632
flat angles C4'-P-C4' energy: -27.027
flat angles P-C4'-P energy: -13.814
tors. eta vs tors. theta energy: -23.091
Dist. restrs. and SS energy: 0.326 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -317.841589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.841589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.481085 (E_RNA)
where:
Base-Base interactions energy: -202.685
where: short stacking energy: -82.603
Base-Backbone interact. energy: 0.233
local terms energy: -116.028754
where:
bonds (distance) C4'-P energy: -19.637
bonds (distance) P-C4' energy: -29.853
flat angles C4'-P-C4' energy: -25.502
flat angles P-C4'-P energy: -15.711
tors. eta vs tors. theta energy: -25.326
Dist. restrs. and SS energy: 0.639 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -444.476259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.476259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.124208 (E_RNA)
where:
Base-Base interactions energy: -321.904
where: short stacking energy: -126.866
Base-Backbone interact. energy: -0.608
local terms energy: -122.611462
where:
bonds (distance) C4'-P energy: -27.629
bonds (distance) P-C4' energy: -21.287
flat angles C4'-P-C4' energy: -29.477
flat angles P-C4'-P energy: -16.149
tors. eta vs tors. theta energy: -28.070
Dist. restrs. and SS energy: 0.648 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -400.566044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.566044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.650324 (E_RNA)
where:
Base-Base interactions energy: -272.819
where: short stacking energy: -115.073
Base-Backbone interact. energy: -0.194
local terms energy: -127.636976
where:
bonds (distance) C4'-P energy: -26.565
bonds (distance) P-C4' energy: -25.363
flat angles C4'-P-C4' energy: -26.278
flat angles P-C4'-P energy: -19.380
tors. eta vs tors. theta energy: -30.051
Dist. restrs. and SS energy: 0.084 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -404.974300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.974300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.023830 (E_RNA)
where:
Base-Base interactions energy: -285.670
where: short stacking energy: -105.399
Base-Backbone interact. energy: -0.294
local terms energy: -119.059812
where:
bonds (distance) C4'-P energy: -23.038
bonds (distance) P-C4' energy: -20.411
flat angles C4'-P-C4' energy: -28.122
flat angles P-C4'-P energy: -19.187
tors. eta vs tors. theta energy: -28.302
Dist. restrs. and SS energy: 0.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -375.933108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.933108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.446965 (E_RNA)
where:
Base-Base interactions energy: -257.246
where: short stacking energy: -104.096
Base-Backbone interact. energy: 2.135
local terms energy: -121.335478
where:
bonds (distance) C4'-P energy: -20.078
bonds (distance) P-C4' energy: -29.829
flat angles C4'-P-C4' energy: -29.476
flat angles P-C4'-P energy: -19.401
tors. eta vs tors. theta energy: -22.552
Dist. restrs. and SS energy: 0.514 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -376.453997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.453997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.496360 (E_RNA)
where:
Base-Base interactions energy: -252.006
where: short stacking energy: -104.285
Base-Backbone interact. energy: -0.285
local terms energy: -124.205648
where:
bonds (distance) C4'-P energy: -26.712
bonds (distance) P-C4' energy: -22.574
flat angles C4'-P-C4' energy: -31.362
flat angles P-C4'-P energy: -15.396
tors. eta vs tors. theta energy: -28.161
Dist. restrs. and SS energy: 0.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -363.584113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.584113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.835765 (E_RNA)
where:
Base-Base interactions energy: -246.151
where: short stacking energy: -92.830
Base-Backbone interact. energy: -0.817
local terms energy: -116.868067
where:
bonds (distance) C4'-P energy: -24.459
bonds (distance) P-C4' energy: -25.397
flat angles C4'-P-C4' energy: -30.346
flat angles P-C4'-P energy: -7.617
tors. eta vs tors. theta energy: -29.049
Dist. restrs. and SS energy: 0.252 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -352.137616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.137616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.638731 (E_RNA)
where:
Base-Base interactions energy: -255.256
where: short stacking energy: -96.943
Base-Backbone interact. energy: -0.960
local terms energy: -96.422578
where:
bonds (distance) C4'-P energy: -21.994
bonds (distance) P-C4' energy: -21.472
flat angles C4'-P-C4' energy: -24.130
flat angles P-C4'-P energy: -12.856
tors. eta vs tors. theta energy: -15.971
Dist. restrs. and SS energy: 0.501 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -327.020090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.020090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.031071 (E_RNA)
where:
Base-Base interactions energy: -233.815
where: short stacking energy: -92.963
Base-Backbone interact. energy: -0.727
local terms energy: -92.489648
where:
bonds (distance) C4'-P energy: -14.073
bonds (distance) P-C4' energy: -27.968
flat angles C4'-P-C4' energy: -25.620
flat angles P-C4'-P energy: -6.711
tors. eta vs tors. theta energy: -18.117
Dist. restrs. and SS energy: 0.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -340.656786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.656786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.120179 (E_RNA)
where:
Base-Base interactions energy: -230.929
where: short stacking energy: -97.127
Base-Backbone interact. energy: -0.648
local terms energy: -109.543682
where:
bonds (distance) C4'-P energy: -20.338
bonds (distance) P-C4' energy: -23.941
flat angles C4'-P-C4' energy: -26.489
flat angles P-C4'-P energy: -12.577
tors. eta vs tors. theta energy: -26.199
Dist. restrs. and SS energy: 0.463 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -321.422736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.422736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.712512 (E_RNA)
where:
Base-Base interactions energy: -217.024
where: short stacking energy: -80.444
Base-Backbone interact. energy: -0.267
local terms energy: -104.421158
where:
bonds (distance) C4'-P energy: -21.839
bonds (distance) P-C4' energy: -18.398
flat angles C4'-P-C4' energy: -24.314
flat angles P-C4'-P energy: -19.720
tors. eta vs tors. theta energy: -20.151
Dist. restrs. and SS energy: 0.290 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -443.862608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.862608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.971064 (E_RNA)
where:
Base-Base interactions energy: -308.256
where: short stacking energy: -121.785
Base-Backbone interact. energy: -0.141
local terms energy: -135.573488
where:
bonds (distance) C4'-P energy: -27.306
bonds (distance) P-C4' energy: -27.406
flat angles C4'-P-C4' energy: -29.365
flat angles P-C4'-P energy: -19.907
tors. eta vs tors. theta energy: -31.589
Dist. restrs. and SS energy: 0.108 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -397.354136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.354136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.382654 (E_RNA)
where:
Base-Base interactions energy: -272.402
where: short stacking energy: -117.166
Base-Backbone interact. energy: 1.459
local terms energy: -126.439416
where:
bonds (distance) C4'-P energy: -27.728
bonds (distance) P-C4' energy: -26.766
flat angles C4'-P-C4' energy: -26.362
flat angles P-C4'-P energy: -14.030
tors. eta vs tors. theta energy: -31.554
Dist. restrs. and SS energy: 0.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -402.237576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.237576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.436087 (E_RNA)
where:
Base-Base interactions energy: -272.053
where: short stacking energy: -107.019
Base-Backbone interact. energy: -0.741
local terms energy: -129.642272
where:
bonds (distance) C4'-P energy: -18.365
bonds (distance) P-C4' energy: -25.404
flat angles C4'-P-C4' energy: -32.276
flat angles P-C4'-P energy: -22.196
tors. eta vs tors. theta energy: -31.402
Dist. restrs. and SS energy: 0.199 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -372.312431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.312431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.875844 (E_RNA)
where:
Base-Base interactions energy: -261.590
where: short stacking energy: -102.286
Base-Backbone interact. energy: -0.269
local terms energy: -111.016670
where:
bonds (distance) C4'-P energy: -25.930
bonds (distance) P-C4' energy: -24.657
flat angles C4'-P-C4' energy: -23.042
flat angles P-C4'-P energy: -9.168
tors. eta vs tors. theta energy: -28.220
Dist. restrs. and SS energy: 0.563 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -373.002371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.002371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.350613 (E_RNA)
where:
Base-Base interactions energy: -246.838
where: short stacking energy: -93.445
Base-Backbone interact. energy: -1.517
local terms energy: -124.995015
where:
bonds (distance) C4'-P energy: -25.906
bonds (distance) P-C4' energy: -27.346
flat angles C4'-P-C4' energy: -26.364
flat angles P-C4'-P energy: -17.592
tors. eta vs tors. theta energy: -27.787
Dist. restrs. and SS energy: 0.348 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -372.186514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.186514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.703962 (E_RNA)
where:
Base-Base interactions energy: -254.310
where: short stacking energy: -95.255
Base-Backbone interact. energy: -0.276
local terms energy: -118.117387
where:
bonds (distance) C4'-P energy: -24.444
bonds (distance) P-C4' energy: -28.321
flat angles C4'-P-C4' energy: -22.274
flat angles P-C4'-P energy: -19.074
tors. eta vs tors. theta energy: -24.003
Dist. restrs. and SS energy: 0.517 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -350.320232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.320232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.660630 (E_RNA)
where:
Base-Base interactions energy: -230.955
where: short stacking energy: -96.765
Base-Backbone interact. energy: 0.229
local terms energy: -119.934236
where:
bonds (distance) C4'-P energy: -17.356
bonds (distance) P-C4' energy: -28.601
flat angles C4'-P-C4' energy: -27.561
flat angles P-C4'-P energy: -16.881
tors. eta vs tors. theta energy: -29.535
Dist. restrs. and SS energy: 0.340 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -355.834672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.834672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.934868 (E_RNA)
where:
Base-Base interactions energy: -233.351
where: short stacking energy: -86.487
Base-Backbone interact. energy: 0.465
local terms energy: -123.049298
where:
bonds (distance) C4'-P energy: -23.828
bonds (distance) P-C4' energy: -30.817
flat angles C4'-P-C4' energy: -29.175
flat angles P-C4'-P energy: -11.891
tors. eta vs tors. theta energy: -27.338
Dist. restrs. and SS energy: 0.100 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -323.519083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.519083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.022878 (E_RNA)
where:
Base-Base interactions energy: -205.809
where: short stacking energy: -75.793
Base-Backbone interact. energy: -0.212
local terms energy: -118.001455
where:
bonds (distance) C4'-P energy: -30.981
bonds (distance) P-C4' energy: -31.408
flat angles C4'-P-C4' energy: -23.313
flat angles P-C4'-P energy: -16.276
tors. eta vs tors. theta energy: -16.023
Dist. restrs. and SS energy: 0.504 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -332.455538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.455538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.764849 (E_RNA)
where:
Base-Base interactions energy: -225.851
where: short stacking energy: -90.343
Base-Backbone interact. energy: 0.510
local terms energy: -107.423919
where:
bonds (distance) C4'-P energy: -18.404
bonds (distance) P-C4' energy: -16.065
flat angles C4'-P-C4' energy: -29.415
flat angles P-C4'-P energy: -18.602
tors. eta vs tors. theta energy: -24.938
Dist. restrs. and SS energy: 0.309 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -440.288574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.288574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.367338 (E_RNA)
where:
Base-Base interactions energy: -300.642
where: short stacking energy: -112.501
Base-Backbone interact. energy: -0.809
local terms energy: -138.916425
where:
bonds (distance) C4'-P energy: -28.219
bonds (distance) P-C4' energy: -27.863
flat angles C4'-P-C4' energy: -28.790
flat angles P-C4'-P energy: -21.239
tors. eta vs tors. theta energy: -32.805
Dist. restrs. and SS energy: 0.079 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -414.198468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.198468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.490952 (E_RNA)
where:
Base-Base interactions energy: -283.021
where: short stacking energy: -114.637
Base-Backbone interact. energy: -0.287
local terms energy: -131.183010
where:
bonds (distance) C4'-P energy: -28.140
bonds (distance) P-C4' energy: -27.025
flat angles C4'-P-C4' energy: -30.240
flat angles P-C4'-P energy: -15.094
tors. eta vs tors. theta energy: -30.684
Dist. restrs. and SS energy: 0.292 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -413.831084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.831084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.987714 (E_RNA)
where:
Base-Base interactions energy: -280.923
where: short stacking energy: -118.040
Base-Backbone interact. energy: -1.283
local terms energy: -131.781642
where:
bonds (distance) C4'-P energy: -24.455
bonds (distance) P-C4' energy: -29.465
flat angles C4'-P-C4' energy: -30.383
flat angles P-C4'-P energy: -15.090
tors. eta vs tors. theta energy: -32.389
Dist. restrs. and SS energy: 0.157 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -378.547389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.547389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.416128 (E_RNA)
where:
Base-Base interactions energy: -258.235
where: short stacking energy: -113.815
Base-Backbone interact. energy: 0.475
local terms energy: -121.656621
where:
bonds (distance) C4'-P energy: -27.166
bonds (distance) P-C4' energy: -19.347
flat angles C4'-P-C4' energy: -30.508
flat angles P-C4'-P energy: -16.578
tors. eta vs tors. theta energy: -28.057
Dist. restrs. and SS energy: 0.869 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -357.982907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.982907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.843678 (E_RNA)
where:
Base-Base interactions energy: -238.733
where: short stacking energy: -92.650
Base-Backbone interact. energy: -1.200
local terms energy: -118.910041
where:
bonds (distance) C4'-P energy: -28.999
bonds (distance) P-C4' energy: -29.058
flat angles C4'-P-C4' energy: -22.156
flat angles P-C4'-P energy: -13.490
tors. eta vs tors. theta energy: -25.208
Dist. restrs. and SS energy: 0.861 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -368.626277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.626277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.338399 (E_RNA)
where:
Base-Base interactions energy: -252.626
where: short stacking energy: -98.267
Base-Backbone interact. energy: -0.107
local terms energy: -116.605536
where:
bonds (distance) C4'-P energy: -17.791
bonds (distance) P-C4' energy: -24.592
flat angles C4'-P-C4' energy: -27.518
flat angles P-C4'-P energy: -13.250
tors. eta vs tors. theta energy: -33.455
Dist. restrs. and SS energy: 0.712 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -357.559093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.559093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.777823 (E_RNA)
where:
Base-Base interactions energy: -247.173
where: short stacking energy: -96.468
Base-Backbone interact. energy: 0.772
local terms energy: -111.376257
where:
bonds (distance) C4'-P energy: -23.195
bonds (distance) P-C4' energy: -23.024
flat angles C4'-P-C4' energy: -27.139
flat angles P-C4'-P energy: -10.727
tors. eta vs tors. theta energy: -27.291
Dist. restrs. and SS energy: 0.219 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -345.385055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.385055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.793857 (E_RNA)
where:
Base-Base interactions energy: -230.976
where: short stacking energy: -98.438
Base-Backbone interact. energy: -0.233
local terms energy: -114.585421
where:
bonds (distance) C4'-P energy: -25.386
bonds (distance) P-C4' energy: -24.750
flat angles C4'-P-C4' energy: -24.320
flat angles P-C4'-P energy: -10.373
tors. eta vs tors. theta energy: -29.756
Dist. restrs. and SS energy: 0.409 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -322.163756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.163756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.575014 (E_RNA)
where:
Base-Base interactions energy: -230.584
where: short stacking energy: -86.691
Base-Backbone interact. energy: -0.480
local terms energy: -91.510367
where:
bonds (distance) C4'-P energy: -17.602
bonds (distance) P-C4' energy: -24.199
flat angles C4'-P-C4' energy: -19.044
flat angles P-C4'-P energy: -9.819
tors. eta vs tors. theta energy: -20.847
Dist. restrs. and SS energy: 0.411 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -312.299450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.299450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.714924 (E_RNA)
where:
Base-Base interactions energy: -208.507
where: short stacking energy: -83.386
Base-Backbone interact. energy: -0.309
local terms energy: -103.898235
where:
bonds (distance) C4'-P energy: -24.239
bonds (distance) P-C4' energy: -20.863
flat angles C4'-P-C4' energy: -19.695
flat angles P-C4'-P energy: -21.317
tors. eta vs tors. theta energy: -17.785
Dist. restrs. and SS energy: 0.415 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -439.434423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.434423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.796099 (E_RNA)
where:
Base-Base interactions energy: -302.719
where: short stacking energy: -111.977
Base-Backbone interact. energy: 0.638
local terms energy: -137.715545
where:
bonds (distance) C4'-P energy: -22.217
bonds (distance) P-C4' energy: -30.826
flat angles C4'-P-C4' energy: -31.610
flat angles P-C4'-P energy: -22.232
tors. eta vs tors. theta energy: -30.831
Dist. restrs. and SS energy: 0.362 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -404.584385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.584385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.584385 (E_RNA)
where:
Base-Base interactions energy: -266.742
where: short stacking energy: -117.570
Base-Backbone interact. energy: -0.205
local terms energy: -137.636675
where:
bonds (distance) C4'-P energy: -27.882
bonds (distance) P-C4' energy: -29.484
flat angles C4'-P-C4' energy: -23.678
flat angles P-C4'-P energy: -21.811
tors. eta vs tors. theta energy: -34.781
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -409.681803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.681803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.718840 (E_RNA)
where:
Base-Base interactions energy: -275.365
where: short stacking energy: -120.616
Base-Backbone interact. energy: -0.249
local terms energy: -134.105261
where:
bonds (distance) C4'-P energy: -27.256
bonds (distance) P-C4' energy: -24.690
flat angles C4'-P-C4' energy: -28.214
flat angles P-C4'-P energy: -21.398
tors. eta vs tors. theta energy: -32.547
Dist. restrs. and SS energy: 0.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -379.225327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.225327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.719301 (E_RNA)
where:
Base-Base interactions energy: -250.197
where: short stacking energy: -108.559
Base-Backbone interact. energy: -0.322
local terms energy: -129.200611
where:
bonds (distance) C4'-P energy: -29.105
bonds (distance) P-C4' energy: -23.576
flat angles C4'-P-C4' energy: -30.844
flat angles P-C4'-P energy: -16.298
tors. eta vs tors. theta energy: -29.379
Dist. restrs. and SS energy: 0.494 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -381.857959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.857959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.083290 (E_RNA)
where:
Base-Base interactions energy: -257.056
where: short stacking energy: -98.968
Base-Backbone interact. energy: -0.457
local terms energy: -124.570308
where:
bonds (distance) C4'-P energy: -22.708
bonds (distance) P-C4' energy: -23.785
flat angles C4'-P-C4' energy: -30.876
flat angles P-C4'-P energy: -16.222
tors. eta vs tors. theta energy: -30.980
Dist. restrs. and SS energy: 0.225 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -359.381594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.381594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.568918 (E_RNA)
where:
Base-Base interactions energy: -232.677
where: short stacking energy: -102.633
Base-Backbone interact. energy: 1.197
local terms energy: -128.088886
where:
bonds (distance) C4'-P energy: -25.790
bonds (distance) P-C4' energy: -24.571
flat angles C4'-P-C4' energy: -29.064
flat angles P-C4'-P energy: -21.526
tors. eta vs tors. theta energy: -27.138
Dist. restrs. and SS energy: 0.187 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -360.635872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.635872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.340762 (E_RNA)
where:
Base-Base interactions energy: -250.148
where: short stacking energy: -105.416
Base-Backbone interact. energy: -0.727
local terms energy: -110.466001
where:
bonds (distance) C4'-P energy: -21.890
bonds (distance) P-C4' energy: -26.325
flat angles C4'-P-C4' energy: -23.966
flat angles P-C4'-P energy: -12.489
tors. eta vs tors. theta energy: -25.795
Dist. restrs. and SS energy: 0.705 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -359.022520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.022520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.180058 (E_RNA)
where:
Base-Base interactions energy: -244.500
where: short stacking energy: -94.720
Base-Backbone interact. energy: -0.258
local terms energy: -114.422923
where:
bonds (distance) C4'-P energy: -17.248
bonds (distance) P-C4' energy: -23.418
flat angles C4'-P-C4' energy: -26.832
flat angles P-C4'-P energy: -18.370
tors. eta vs tors. theta energy: -28.555
Dist. restrs. and SS energy: 0.158 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -321.786502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.786502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.193783 (E_RNA)
where:
Base-Base interactions energy: -222.016
where: short stacking energy: -91.789
Base-Backbone interact. energy: -0.265
local terms energy: -99.911935
where:
bonds (distance) C4'-P energy: -21.843
bonds (distance) P-C4' energy: -18.003
flat angles C4'-P-C4' energy: -20.772
flat angles P-C4'-P energy: -9.263
tors. eta vs tors. theta energy: -30.031
Dist. restrs. and SS energy: 0.407 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -292.873141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.873141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.276690 (E_RNA)
where:
Base-Base interactions energy: -195.810
where: short stacking energy: -76.242
Base-Backbone interact. energy: 1.401
local terms energy: -98.867362
where:
bonds (distance) C4'-P energy: -17.095
bonds (distance) P-C4' energy: -25.602
flat angles C4'-P-C4' energy: -21.381
flat angles P-C4'-P energy: -20.004
tors. eta vs tors. theta energy: -14.785
Dist. restrs. and SS energy: 0.404 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -438.482050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.482050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.749781 (E_RNA)
where:
Base-Base interactions energy: -307.446
where: short stacking energy: -108.639
Base-Backbone interact. energy: 0.585
local terms energy: -131.888660
where:
bonds (distance) C4'-P energy: -23.083
bonds (distance) P-C4' energy: -30.493
flat angles C4'-P-C4' energy: -28.501
flat angles P-C4'-P energy: -19.934
tors. eta vs tors. theta energy: -29.878
Dist. restrs. and SS energy: 0.268 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -408.537011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.537011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.565254 (E_RNA)
where:
Base-Base interactions energy: -271.446
where: short stacking energy: -107.744
Base-Backbone interact. energy: -2.426
local terms energy: -134.692975
where:
bonds (distance) C4'-P energy: -27.172
bonds (distance) P-C4' energy: -26.665
flat angles C4'-P-C4' energy: -31.363
flat angles P-C4'-P energy: -20.371
tors. eta vs tors. theta energy: -29.123
Dist. restrs. and SS energy: 0.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -394.962301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.962301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.347675 (E_RNA)
where:
Base-Base interactions energy: -266.063
where: short stacking energy: -109.479
Base-Backbone interact. energy: -0.167
local terms energy: -129.117519
where:
bonds (distance) C4'-P energy: -23.919
bonds (distance) P-C4' energy: -27.236
flat angles C4'-P-C4' energy: -24.529
flat angles P-C4'-P energy: -21.272
tors. eta vs tors. theta energy: -32.161
Dist. restrs. and SS energy: 0.385 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -375.840159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.840159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.050267 (E_RNA)
where:
Base-Base interactions energy: -252.860
where: short stacking energy: -109.075
Base-Backbone interact. energy: -0.540
local terms energy: -122.649444
where:
bonds (distance) C4'-P energy: -19.316
bonds (distance) P-C4' energy: -25.213
flat angles C4'-P-C4' energy: -28.581
flat angles P-C4'-P energy: -21.212
tors. eta vs tors. theta energy: -28.327
Dist. restrs. and SS energy: 0.210 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -366.576407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.576407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.622613 (E_RNA)
where:
Base-Base interactions energy: -250.516
where: short stacking energy: -95.769
Base-Backbone interact. energy: -0.150
local terms energy: -115.956769
where:
bonds (distance) C4'-P energy: -20.664
bonds (distance) P-C4' energy: -27.640
flat angles C4'-P-C4' energy: -24.545
flat angles P-C4'-P energy: -17.778
tors. eta vs tors. theta energy: -25.330
Dist. restrs. and SS energy: 0.046 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -356.185637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.185637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.429379 (E_RNA)
where:
Base-Base interactions energy: -247.053
where: short stacking energy: -103.539
Base-Backbone interact. energy: 0.484
local terms energy: -109.860656
where:
bonds (distance) C4'-P energy: -17.964
bonds (distance) P-C4' energy: -19.233
flat angles C4'-P-C4' energy: -28.607
flat angles P-C4'-P energy: -18.635
tors. eta vs tors. theta energy: -25.422
Dist. restrs. and SS energy: 0.244 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -335.393385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.393385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.624223 (E_RNA)
where:
Base-Base interactions energy: -223.936
where: short stacking energy: -84.350
Base-Backbone interact. energy: 0.409
local terms energy: -112.097648
where:
bonds (distance) C4'-P energy: -22.267
bonds (distance) P-C4' energy: -22.953
flat angles C4'-P-C4' energy: -22.536
flat angles P-C4'-P energy: -18.043
tors. eta vs tors. theta energy: -26.298
Dist. restrs. and SS energy: 0.231 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -362.264976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.264976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.935883 (E_RNA)
where:
Base-Base interactions energy: -235.938
where: short stacking energy: -101.304
Base-Backbone interact. energy: 0.170
local terms energy: -127.167266
where:
bonds (distance) C4'-P energy: -22.528
bonds (distance) P-C4' energy: -25.837
flat angles C4'-P-C4' energy: -30.950
flat angles P-C4'-P energy: -17.800
tors. eta vs tors. theta energy: -30.053
Dist. restrs. and SS energy: 0.671 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -342.680958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.680958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.293069 (E_RNA)
where:
Base-Base interactions energy: -235.376
where: short stacking energy: -102.033
Base-Backbone interact. energy: 0.489
local terms energy: -108.406290
where:
bonds (distance) C4'-P energy: -9.843
bonds (distance) P-C4' energy: -20.140
flat angles C4'-P-C4' energy: -31.237
flat angles P-C4'-P energy: -18.923
tors. eta vs tors. theta energy: -28.263
Dist. restrs. and SS energy: 0.612 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -302.166843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.166843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.270665 (E_RNA)
where:
Base-Base interactions energy: -205.294
where: short stacking energy: -65.706
Base-Backbone interact. energy: 3.130
local terms energy: -100.106918
where:
bonds (distance) C4'-P energy: -23.756
bonds (distance) P-C4' energy: -25.617
flat angles C4'-P-C4' energy: -20.613
flat angles P-C4'-P energy: -17.367
tors. eta vs tors. theta energy: -12.754
Dist. restrs. and SS energy: 0.104 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -434.788929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.788929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.940574 (E_RNA)
where:
Base-Base interactions energy: -307.172
where: short stacking energy: -108.485
Base-Backbone interact. energy: -0.808
local terms energy: -126.961037
where:
bonds (distance) C4'-P energy: -25.501
bonds (distance) P-C4' energy: -26.499
flat angles C4'-P-C4' energy: -26.982
flat angles P-C4'-P energy: -14.156
tors. eta vs tors. theta energy: -33.824
Dist. restrs. and SS energy: 0.152 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -408.725459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.725459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.822360 (E_RNA)
where:
Base-Base interactions energy: -267.889
where: short stacking energy: -117.981
Base-Backbone interact. energy: -0.466
local terms energy: -140.467972
where:
bonds (distance) C4'-P energy: -27.322
bonds (distance) P-C4' energy: -28.162
flat angles C4'-P-C4' energy: -32.374
flat angles P-C4'-P energy: -17.849
tors. eta vs tors. theta energy: -34.762
Dist. restrs. and SS energy: 0.097 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -388.820207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.820207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.521767 (E_RNA)
where:
Base-Base interactions energy: -257.077
where: short stacking energy: -114.305
Base-Backbone interact. energy: -0.726
local terms energy: -131.718949
where:
bonds (distance) C4'-P energy: -25.383
bonds (distance) P-C4' energy: -21.430
flat angles C4'-P-C4' energy: -29.588
flat angles P-C4'-P energy: -18.475
tors. eta vs tors. theta energy: -36.843
Dist. restrs. and SS energy: 0.702 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -383.440675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.440675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.675172 (E_RNA)
where:
Base-Base interactions energy: -260.884
where: short stacking energy: -112.624
Base-Backbone interact. energy: -0.130
local terms energy: -122.660648
where:
bonds (distance) C4'-P energy: -23.211
bonds (distance) P-C4' energy: -23.516
flat angles C4'-P-C4' energy: -25.373
flat angles P-C4'-P energy: -20.557
tors. eta vs tors. theta energy: -30.004
Dist. restrs. and SS energy: 0.234 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -373.845424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.845424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.037672 (E_RNA)
where:
Base-Base interactions energy: -253.414
where: short stacking energy: -99.364
Base-Backbone interact. energy: -0.965
local terms energy: -119.658978
where:
bonds (distance) C4'-P energy: -26.395
bonds (distance) P-C4' energy: -20.771
flat angles C4'-P-C4' energy: -27.525
flat angles P-C4'-P energy: -20.630
tors. eta vs tors. theta energy: -24.337
Dist. restrs. and SS energy: 0.192 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -358.194872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.194872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.491845 (E_RNA)
where:
Base-Base interactions energy: -243.463
where: short stacking energy: -101.684
Base-Backbone interact. energy: -0.443
local terms energy: -114.586075
where:
bonds (distance) C4'-P energy: -23.244
bonds (distance) P-C4' energy: -26.795
flat angles C4'-P-C4' energy: -21.701
flat angles P-C4'-P energy: -11.143
tors. eta vs tors. theta energy: -31.703
Dist. restrs. and SS energy: 0.297 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -361.257587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.257587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.999253 (E_RNA)
where:
Base-Base interactions energy: -230.410
where: short stacking energy: -93.974
Base-Backbone interact. energy: -1.065
local terms energy: -130.523957
where:
bonds (distance) C4'-P energy: -27.351
bonds (distance) P-C4' energy: -29.002
flat angles C4'-P-C4' energy: -24.775
flat angles P-C4'-P energy: -21.910
tors. eta vs tors. theta energy: -27.485
Dist. restrs. and SS energy: 0.742 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -343.347141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.347141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.485268 (E_RNA)
where:
Base-Base interactions energy: -231.512
where: short stacking energy: -93.425
Base-Backbone interact. energy: -0.424
local terms energy: -111.549045
where:
bonds (distance) C4'-P energy: -24.929
bonds (distance) P-C4' energy: -26.046
flat angles C4'-P-C4' energy: -21.928
flat angles P-C4'-P energy: -16.755
tors. eta vs tors. theta energy: -21.891
Dist. restrs. and SS energy: 0.138 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -301.307159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.307159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.708361 (E_RNA)
where:
Base-Base interactions energy: -195.956
where: short stacking energy: -88.267
Base-Backbone interact. energy: -0.982
local terms energy: -105.769641
where:
bonds (distance) C4'-P energy: -24.030
bonds (distance) P-C4' energy: -18.787
flat angles C4'-P-C4' energy: -25.314
flat angles P-C4'-P energy: -13.735
tors. eta vs tors. theta energy: -23.903
Dist. restrs. and SS energy: 1.401 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -320.551801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.551801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.662858 (E_RNA)
where:
Base-Base interactions energy: -226.051
where: short stacking energy: -84.341
Base-Backbone interact. energy: 1.468
local terms energy: -96.079842
where:
bonds (distance) C4'-P energy: -16.861
bonds (distance) P-C4' energy: -27.019
flat angles C4'-P-C4' energy: -17.481
flat angles P-C4'-P energy: -10.051
tors. eta vs tors. theta energy: -24.669
Dist. restrs. and SS energy: 0.111 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -453.481036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.481036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.793445 (E_RNA)
where:
Base-Base interactions energy: -322.470
where: short stacking energy: -118.912
Base-Backbone interact. energy: -0.290
local terms energy: -131.032923
where:
bonds (distance) C4'-P energy: -24.297
bonds (distance) P-C4' energy: -26.361
flat angles C4'-P-C4' energy: -27.424
flat angles P-C4'-P energy: -17.636
tors. eta vs tors. theta energy: -35.314
Dist. restrs. and SS energy: 0.312 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -398.430721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.430721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.937425 (E_RNA)
where:
Base-Base interactions energy: -268.475
where: short stacking energy: -108.807
Base-Backbone interact. energy: 0.873
local terms energy: -131.335909
where:
bonds (distance) C4'-P energy: -29.327
bonds (distance) P-C4' energy: -29.530
flat angles C4'-P-C4' energy: -29.078
flat angles P-C4'-P energy: -10.865
tors. eta vs tors. theta energy: -32.536
Dist. restrs. and SS energy: 0.507 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -387.871739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.871739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.235516 (E_RNA)
where:
Base-Base interactions energy: -251.007
where: short stacking energy: -108.070
Base-Backbone interact. energy: -0.458
local terms energy: -136.770130
where:
bonds (distance) C4'-P energy: -26.802
bonds (distance) P-C4' energy: -29.064
flat angles C4'-P-C4' energy: -31.790
flat angles P-C4'-P energy: -19.270
tors. eta vs tors. theta energy: -29.844
Dist. restrs. and SS energy: 0.364 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -373.497541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.497541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.632661 (E_RNA)
where:
Base-Base interactions energy: -251.494
where: short stacking energy: -109.387
Base-Backbone interact. energy: -0.558
local terms energy: -121.580220
where:
bonds (distance) C4'-P energy: -22.954
bonds (distance) P-C4' energy: -22.341
flat angles C4'-P-C4' energy: -30.504
flat angles P-C4'-P energy: -18.739
tors. eta vs tors. theta energy: -27.041
Dist. restrs. and SS energy: 0.135 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -378.041175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.041175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.171871 (E_RNA)
where:
Base-Base interactions energy: -253.111
where: short stacking energy: -102.623
Base-Backbone interact. energy: -0.649
local terms energy: -124.411232
where:
bonds (distance) C4'-P energy: -27.434
bonds (distance) P-C4' energy: -23.266
flat angles C4'-P-C4' energy: -28.750
flat angles P-C4'-P energy: -15.471
tors. eta vs tors. theta energy: -29.491
Dist. restrs. and SS energy: 0.131 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -389.923452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.923452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.112336 (E_RNA)
where:
Base-Base interactions energy: -266.848
where: short stacking energy: -102.371
Base-Backbone interact. energy: 0.013
local terms energy: -123.278082
where:
bonds (distance) C4'-P energy: -27.259
bonds (distance) P-C4' energy: -24.356
flat angles C4'-P-C4' energy: -30.161
flat angles P-C4'-P energy: -15.593
tors. eta vs tors. theta energy: -25.909
Dist. restrs. and SS energy: 0.189 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -367.651061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.651061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.822325 (E_RNA)
where:
Base-Base interactions energy: -248.121
where: short stacking energy: -97.097
Base-Backbone interact. energy: 0.053
local terms energy: -119.754051
where:
bonds (distance) C4'-P energy: -26.916
bonds (distance) P-C4' energy: -23.052
flat angles C4'-P-C4' energy: -29.532
flat angles P-C4'-P energy: -17.909
tors. eta vs tors. theta energy: -22.345
Dist. restrs. and SS energy: 0.171 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -354.741099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.741099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.180988 (E_RNA)
where:
Base-Base interactions energy: -244.785
where: short stacking energy: -95.369
Base-Backbone interact. energy: 0.485
local terms energy: -110.881005
where:
bonds (distance) C4'-P energy: -18.498
bonds (distance) P-C4' energy: -23.087
flat angles C4'-P-C4' energy: -23.650
flat angles P-C4'-P energy: -13.986
tors. eta vs tors. theta energy: -31.660
Dist. restrs. and SS energy: 0.440 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -298.891255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.891255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.520084 (E_RNA)
where:
Base-Base interactions energy: -190.142
where: short stacking energy: -79.961
Base-Backbone interact. energy: 2.603
local terms energy: -112.981240
where:
bonds (distance) C4'-P energy: -26.854
bonds (distance) P-C4' energy: -21.429
flat angles C4'-P-C4' energy: -24.010
flat angles P-C4'-P energy: -12.520
tors. eta vs tors. theta energy: -28.169
Dist. restrs. and SS energy: 1.629 (S_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: 167
Temperature: 1.350000
Total energy: -284.216709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.216709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.747322 (E_RNA)
where:
Base-Base interactions energy: -194.699
where: short stacking energy: -81.286
Base-Backbone interact. energy: 0.126
local terms energy: -93.174755
where:
bonds (distance) C4'-P energy: -27.625
bonds (distance) P-C4' energy: -28.804
flat angles C4'-P-C4' energy: -15.269
flat angles P-C4'-P energy: -10.590
tors. eta vs tors. theta energy: -10.887
Dist. restrs. and SS energy: 3.531 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -437.909592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.909592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.206457 (E_RNA)
where:
Base-Base interactions energy: -296.060
where: short stacking energy: -112.701
Base-Backbone interact. energy: -0.668
local terms energy: -141.479249
where:
bonds (distance) C4'-P energy: -30.113
bonds (distance) P-C4' energy: -29.973
flat angles C4'-P-C4' energy: -26.794
flat angles P-C4'-P energy: -20.307
tors. eta vs tors. theta energy: -34.293
Dist. restrs. and SS energy: 0.297 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -393.534963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.534963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.198074 (E_RNA)
where:
Base-Base interactions energy: -261.767
where: short stacking energy: -107.983
Base-Backbone interact. energy: -2.059
local terms energy: -130.372112
where:
bonds (distance) C4'-P energy: -28.783
bonds (distance) P-C4' energy: -27.327
flat angles C4'-P-C4' energy: -24.338
flat angles P-C4'-P energy: -22.068
tors. eta vs tors. theta energy: -27.856
Dist. restrs. and SS energy: 0.663 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -390.515134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.515134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.146619 (E_RNA)
where:
Base-Base interactions energy: -261.920
where: short stacking energy: -117.670
Base-Backbone interact. energy: -0.214
local terms energy: -129.012233
where:
bonds (distance) C4'-P energy: -26.261
bonds (distance) P-C4' energy: -26.138
flat angles C4'-P-C4' energy: -24.853
flat angles P-C4'-P energy: -20.486
tors. eta vs tors. theta energy: -31.273
Dist. restrs. and SS energy: 0.631 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -383.937707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.937707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.769670 (E_RNA)
where:
Base-Base interactions energy: -254.273
where: short stacking energy: -109.157
Base-Backbone interact. energy: -0.489
local terms energy: -130.007503
where:
bonds (distance) C4'-P energy: -24.263
bonds (distance) P-C4' energy: -30.247
flat angles C4'-P-C4' energy: -25.042
flat angles P-C4'-P energy: -20.967
tors. eta vs tors. theta energy: -29.488
Dist. restrs. and SS energy: 0.832 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -383.305287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.305287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.551819 (E_RNA)
where:
Base-Base interactions energy: -262.563
where: short stacking energy: -101.142
Base-Backbone interact. energy: -0.430
local terms energy: -120.558802
where:
bonds (distance) C4'-P energy: -23.472
bonds (distance) P-C4' energy: -29.435
flat angles C4'-P-C4' energy: -26.554
flat angles P-C4'-P energy: -12.765
tors. eta vs tors. theta energy: -28.334
Dist. restrs. and SS energy: 0.247 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -364.216967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.216967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.327304 (E_RNA)
where:
Base-Base interactions energy: -252.474
where: short stacking energy: -101.712
Base-Backbone interact. energy: -0.117
local terms energy: -111.736489
where:
bonds (distance) C4'-P energy: -26.423
bonds (distance) P-C4' energy: -25.261
flat angles C4'-P-C4' energy: -21.097
flat angles P-C4'-P energy: -10.433
tors. eta vs tors. theta energy: -28.522
Dist. restrs. and SS energy: 0.110 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -352.362587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.362587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.528174 (E_RNA)
where:
Base-Base interactions energy: -245.480
where: short stacking energy: -95.435
Base-Backbone interact. energy: -0.120
local terms energy: -106.927946
where:
bonds (distance) C4'-P energy: -25.210
bonds (distance) P-C4' energy: -25.290
flat angles C4'-P-C4' energy: -25.122
flat angles P-C4'-P energy: -11.169
tors. eta vs tors. theta energy: -20.136
Dist. restrs. and SS energy: 0.166 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -336.310747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.310747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.395428 (E_RNA)
where:
Base-Base interactions energy: -220.873
where: short stacking energy: -89.878
Base-Backbone interact. energy: 0.019
local terms energy: -115.540813
where:
bonds (distance) C4'-P energy: -28.046
bonds (distance) P-C4' energy: -26.296
flat angles C4'-P-C4' energy: -23.813
flat angles P-C4'-P energy: -15.069
tors. eta vs tors. theta energy: -22.317
Dist. restrs. and SS energy: 0.085 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -272.605184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.605184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.866608 (E_RNA)
where:
Base-Base interactions energy: -186.991
where: short stacking energy: -74.764
Base-Backbone interact. energy: 0.574
local terms energy: -91.449712
where:
bonds (distance) C4'-P energy: -20.702
bonds (distance) P-C4' energy: -22.973
flat angles C4'-P-C4' energy: -22.341
flat angles P-C4'-P energy: -10.181
tors. eta vs tors. theta energy: -15.253
Dist. restrs. and SS energy: 5.261 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -328.114109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.114109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.335171 (E_RNA)
where:
Base-Base interactions energy: -221.347
where: short stacking energy: -87.430
Base-Backbone interact. energy: -0.668
local terms energy: -106.319898
where:
bonds (distance) C4'-P energy: -19.966
bonds (distance) P-C4' energy: -21.332
flat angles C4'-P-C4' energy: -29.226
flat angles P-C4'-P energy: -14.908
tors. eta vs tors. theta energy: -20.889
Dist. restrs. and SS energy: 0.221 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -439.861727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.861727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.100844 (E_RNA)
where:
Base-Base interactions energy: -299.457
where: short stacking energy: -120.669
Base-Backbone interact. energy: -1.112
local terms energy: -139.532007
where:
bonds (distance) C4'-P energy: -29.547
bonds (distance) P-C4' energy: -30.914
flat angles C4'-P-C4' energy: -26.024
flat angles P-C4'-P energy: -17.314
tors. eta vs tors. theta energy: -35.733
Dist. restrs. and SS energy: 0.239 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -402.728462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.728462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.893451 (E_RNA)
where:
Base-Base interactions energy: -276.625
where: short stacking energy: -122.196
Base-Backbone interact. energy: -0.171
local terms energy: -126.096766
where:
bonds (distance) C4'-P energy: -26.286
bonds (distance) P-C4' energy: -25.294
flat angles C4'-P-C4' energy: -25.250
flat angles P-C4'-P energy: -19.086
tors. eta vs tors. theta energy: -30.180
Dist. restrs. and SS energy: 0.165 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -386.838526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.838526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.191064 (E_RNA)
where:
Base-Base interactions energy: -261.768
where: short stacking energy: -105.020
Base-Backbone interact. energy: 0.762
local terms energy: -126.184608
where:
bonds (distance) C4'-P energy: -24.520
bonds (distance) P-C4' energy: -26.577
flat angles C4'-P-C4' energy: -31.365
flat angles P-C4'-P energy: -12.296
tors. eta vs tors. theta energy: -31.427
Dist. restrs. and SS energy: 0.353 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -376.110541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.110541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.192663 (E_RNA)
where:
Base-Base interactions energy: -258.902
where: short stacking energy: -103.141
Base-Backbone interact. energy: -0.590
local terms energy: -116.700829
where:
bonds (distance) C4'-P energy: -22.233
bonds (distance) P-C4' energy: -22.135
flat angles C4'-P-C4' energy: -27.365
flat angles P-C4'-P energy: -19.772
tors. eta vs tors. theta energy: -25.196
Dist. restrs. and SS energy: 0.082 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -377.568061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.568061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.783938 (E_RNA)
where:
Base-Base interactions energy: -259.643
where: short stacking energy: -104.772
Base-Backbone interact. energy: -0.431
local terms energy: -117.709616
where:
bonds (distance) C4'-P energy: -25.949
bonds (distance) P-C4' energy: -22.995
flat angles C4'-P-C4' energy: -26.903
flat angles P-C4'-P energy: -11.629
tors. eta vs tors. theta energy: -30.234
Dist. restrs. and SS energy: 0.216 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -369.020309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.020309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.689075 (E_RNA)
where:
Base-Base interactions energy: -257.615
where: short stacking energy: -102.552
Base-Backbone interact. energy: -0.291
local terms energy: -111.782882
where:
bonds (distance) C4'-P energy: -24.516
bonds (distance) P-C4' energy: -22.932
flat angles C4'-P-C4' energy: -26.700
flat angles P-C4'-P energy: -14.576
tors. eta vs tors. theta energy: -23.060
Dist. restrs. and SS energy: 0.669 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -340.450148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.450148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.592721 (E_RNA)
where:
Base-Base interactions energy: -224.485
where: short stacking energy: -89.414
Base-Backbone interact. energy: -1.527
local terms energy: -114.581242
where:
bonds (distance) C4'-P energy: -25.168
bonds (distance) P-C4' energy: -23.191
flat angles C4'-P-C4' energy: -25.578
flat angles P-C4'-P energy: -17.225
tors. eta vs tors. theta energy: -23.418
Dist. restrs. and SS energy: 0.143 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -342.597124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.597124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.131994 (E_RNA)
where:
Base-Base interactions energy: -225.360
where: short stacking energy: -91.880
Base-Backbone interact. energy: -0.147
local terms energy: -117.624700
where:
bonds (distance) C4'-P energy: -26.071
bonds (distance) P-C4' energy: -20.855
flat angles C4'-P-C4' energy: -25.719
flat angles P-C4'-P energy: -20.101
tors. eta vs tors. theta energy: -24.879
Dist. restrs. and SS energy: 0.535 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -292.311114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.311114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.108588 (E_RNA)
where:
Base-Base interactions energy: -181.485
where: short stacking energy: -74.648
Base-Backbone interact. energy: 1.428
local terms energy: -115.052284
where:
bonds (distance) C4'-P energy: -25.304
bonds (distance) P-C4' energy: -31.574
flat angles C4'-P-C4' energy: -18.610
flat angles P-C4'-P energy: -19.095
tors. eta vs tors. theta energy: -20.469
Dist. restrs. and SS energy: 2.797 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -309.993214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.993214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.987878 (E_RNA)
where:
Base-Base interactions energy: -190.108
where: short stacking energy: -85.794
Base-Backbone interact. energy: 1.371
local terms energy: -122.250793
where:
bonds (distance) C4'-P energy: -25.292
bonds (distance) P-C4' energy: -23.234
flat angles C4'-P-C4' energy: -27.641
flat angles P-C4'-P energy: -17.174
tors. eta vs tors. theta energy: -28.910
Dist. restrs. and SS energy: 0.995 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -444.303917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.303917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.915233 (E_RNA)
where:
Base-Base interactions energy: -309.326
where: short stacking energy: -117.258
Base-Backbone interact. energy: -0.379
local terms energy: -135.210471
where:
bonds (distance) C4'-P energy: -23.469
bonds (distance) P-C4' energy: -29.642
flat angles C4'-P-C4' energy: -30.729
flat angles P-C4'-P energy: -16.895
tors. eta vs tors. theta energy: -34.475
Dist. restrs. and SS energy: 0.611 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -396.704011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.704011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.895140 (E_RNA)
where:
Base-Base interactions energy: -262.725
where: short stacking energy: -106.416
Base-Backbone interact. energy: -0.480
local terms energy: -133.690180
where:
bonds (distance) C4'-P energy: -29.044
bonds (distance) P-C4' energy: -29.808
flat angles C4'-P-C4' energy: -28.249
flat angles P-C4'-P energy: -17.815
tors. eta vs tors. theta energy: -28.774
Dist. restrs. and SS energy: 0.191 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -380.470081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.470081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.039280 (E_RNA)
where:
Base-Base interactions energy: -259.231
where: short stacking energy: -101.006
Base-Backbone interact. energy: -0.196
local terms energy: -121.612167
where:
bonds (distance) C4'-P energy: -23.352
bonds (distance) P-C4' energy: -24.674
flat angles C4'-P-C4' energy: -26.985
flat angles P-C4'-P energy: -23.373
tors. eta vs tors. theta energy: -23.228
Dist. restrs. and SS energy: 0.569 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -395.878312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.878312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.016188 (E_RNA)
where:
Base-Base interactions energy: -271.197
where: short stacking energy: -111.745
Base-Backbone interact. energy: -0.297
local terms energy: -124.522692
where:
bonds (distance) C4'-P energy: -21.569
bonds (distance) P-C4' energy: -29.649
flat angles C4'-P-C4' energy: -27.934
flat angles P-C4'-P energy: -15.598
tors. eta vs tors. theta energy: -29.774
Dist. restrs. and SS energy: 0.138 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -366.637543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.637543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.886947 (E_RNA)
where:
Base-Base interactions energy: -249.158
where: short stacking energy: -103.925
Base-Backbone interact. energy: 0.056
local terms energy: -117.784635
where:
bonds (distance) C4'-P energy: -20.754
bonds (distance) P-C4' energy: -26.007
flat angles C4'-P-C4' energy: -24.351
flat angles P-C4'-P energy: -18.417
tors. eta vs tors. theta energy: -28.255
Dist. restrs. and SS energy: 0.249 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -360.718273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.718273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.272616 (E_RNA)
where:
Base-Base interactions energy: -241.098
where: short stacking energy: -103.340
Base-Backbone interact. energy: -0.890
local terms energy: -119.284717
where:
bonds (distance) C4'-P energy: -19.220
bonds (distance) P-C4' energy: -29.382
flat angles C4'-P-C4' energy: -27.180
flat angles P-C4'-P energy: -15.456
tors. eta vs tors. theta energy: -28.047
Dist. restrs. and SS energy: 0.554 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -347.767190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.767190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.244522 (E_RNA)
where:
Base-Base interactions energy: -230.632
where: short stacking energy: -102.094
Base-Backbone interact. energy: -0.227
local terms energy: -117.385702
where:
bonds (distance) C4'-P energy: -27.859
bonds (distance) P-C4' energy: -26.669
flat angles C4'-P-C4' energy: -25.138
flat angles P-C4'-P energy: -9.966
tors. eta vs tors. theta energy: -27.754
Dist. restrs. and SS energy: 0.477 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -340.769473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.769473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.113747 (E_RNA)
where:
Base-Base interactions energy: -230.785
where: short stacking energy: -94.350
Base-Backbone interact. energy: -0.138
local terms energy: -110.191466
where:
bonds (distance) C4'-P energy: -22.089
bonds (distance) P-C4' energy: -25.793
flat angles C4'-P-C4' energy: -16.641
flat angles P-C4'-P energy: -14.041
tors. eta vs tors. theta energy: -31.628
Dist. restrs. and SS energy: 0.344 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -334.560558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.560558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.649476 (E_RNA)
where:
Base-Base interactions energy: -226.594
where: short stacking energy: -90.248
Base-Backbone interact. energy: -0.213
local terms energy: -107.843074
where:
bonds (distance) C4'-P energy: -15.743
bonds (distance) P-C4' energy: -22.877
flat angles C4'-P-C4' energy: -29.059
flat angles P-C4'-P energy: -14.982
tors. eta vs tors. theta energy: -25.182
Dist. restrs. and SS energy: 0.089 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -287.017211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.017211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.021057 (E_RNA)
where:
Base-Base interactions energy: -200.797
where: short stacking energy: -72.865
Base-Backbone interact. energy: -0.421
local terms energy: -86.803272
where:
bonds (distance) C4'-P energy: -17.799
bonds (distance) P-C4' energy: -16.072
flat angles C4'-P-C4' energy: -17.789
flat angles P-C4'-P energy: -14.604
tors. eta vs tors. theta energy: -20.539
Dist. restrs. and SS energy: 1.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -438.650629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.650629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.689143 (E_RNA)
where:
Base-Base interactions energy: -305.015
where: short stacking energy: -119.054
Base-Backbone interact. energy: -1.084
local terms energy: -132.590387
where:
bonds (distance) C4'-P energy: -27.052
bonds (distance) P-C4' energy: -29.678
flat angles C4'-P-C4' energy: -27.729
flat angles P-C4'-P energy: -18.499
tors. eta vs tors. theta energy: -29.633
Dist. restrs. and SS energy: 0.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -398.126652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.126652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.316403 (E_RNA)
where:
Base-Base interactions energy: -261.670
where: short stacking energy: -107.341
Base-Backbone interact. energy: -0.975
local terms energy: -135.672103
where:
bonds (distance) C4'-P energy: -26.938
bonds (distance) P-C4' energy: -27.594
flat angles C4'-P-C4' energy: -31.080
flat angles P-C4'-P energy: -21.095
tors. eta vs tors. theta energy: -28.966
Dist. restrs. and SS energy: 0.190 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -384.324000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.324000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.632523 (E_RNA)
where:
Base-Base interactions energy: -249.458
where: short stacking energy: -102.794
Base-Backbone interact. energy: -0.372
local terms energy: -134.802843
where:
bonds (distance) C4'-P energy: -28.400
bonds (distance) P-C4' energy: -27.398
flat angles C4'-P-C4' energy: -27.757
flat angles P-C4'-P energy: -22.005
tors. eta vs tors. theta energy: -29.242
Dist. restrs. and SS energy: 0.309 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -395.443693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.443693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.804420 (E_RNA)
where:
Base-Base interactions energy: -266.656
where: short stacking energy: -109.142
Base-Backbone interact. energy: -0.205
local terms energy: -128.943851
where:
bonds (distance) C4'-P energy: -26.812
bonds (distance) P-C4' energy: -29.492
flat angles C4'-P-C4' energy: -25.465
flat angles P-C4'-P energy: -15.752
tors. eta vs tors. theta energy: -31.423
Dist. restrs. and SS energy: 0.361 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -388.034027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.034027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.370230 (E_RNA)
where:
Base-Base interactions energy: -261.023
where: short stacking energy: -101.543
Base-Backbone interact. energy: -1.327
local terms energy: -126.019828
where:
bonds (distance) C4'-P energy: -25.285
bonds (distance) P-C4' energy: -24.080
flat angles C4'-P-C4' energy: -29.103
flat angles P-C4'-P energy: -18.968
tors. eta vs tors. theta energy: -28.584
Dist. restrs. and SS energy: 0.336 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -364.592253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.592253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.109053 (E_RNA)
where:
Base-Base interactions energy: -239.374
where: short stacking energy: -103.565
Base-Backbone interact. energy: -0.218
local terms energy: -125.516662
where:
bonds (distance) C4'-P energy: -25.294
bonds (distance) P-C4' energy: -26.754
flat angles C4'-P-C4' energy: -26.313
flat angles P-C4'-P energy: -14.745
tors. eta vs tors. theta energy: -32.412
Dist. restrs. and SS energy: 0.517 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -355.611615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.611615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.085376 (E_RNA)
where:
Base-Base interactions energy: -237.329
where: short stacking energy: -91.185
Base-Backbone interact. energy: -0.254
local terms energy: -118.502862
where:
bonds (distance) C4'-P energy: -26.729
bonds (distance) P-C4' energy: -31.489
flat angles C4'-P-C4' energy: -21.077
flat angles P-C4'-P energy: -14.951
tors. eta vs tors. theta energy: -24.257
Dist. restrs. and SS energy: 0.474 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -344.723443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.723443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.052872 (E_RNA)
where:
Base-Base interactions energy: -234.531
where: short stacking energy: -95.572
Base-Backbone interact. energy: -0.881
local terms energy: -109.639964
where:
bonds (distance) C4'-P energy: -23.592
bonds (distance) P-C4' energy: -23.117
flat angles C4'-P-C4' energy: -18.671
flat angles P-C4'-P energy: -15.022
tors. eta vs tors. theta energy: -29.238
Dist. restrs. and SS energy: 0.329 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -324.526277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.526277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.005858 (E_RNA)
where:
Base-Base interactions energy: -228.702
where: short stacking energy: -85.019
Base-Backbone interact. energy: -0.153
local terms energy: -96.150314
where:
bonds (distance) C4'-P energy: -20.122
bonds (distance) P-C4' energy: -25.619
flat angles C4'-P-C4' energy: -19.179
flat angles P-C4'-P energy: -9.452
tors. eta vs tors. theta energy: -21.778
Dist. restrs. and SS energy: 0.480 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -294.957257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.957257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.684500 (E_RNA)
where:
Base-Base interactions energy: -189.460
where: short stacking energy: -81.619
Base-Backbone interact. energy: -0.376
local terms energy: -106.848506
where:
bonds (distance) C4'-P energy: -22.093
bonds (distance) P-C4' energy: -26.129
flat angles C4'-P-C4' energy: -26.619
flat angles P-C4'-P energy: -12.973
tors. eta vs tors. theta energy: -19.034
Dist. restrs. and SS energy: 1.727 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -439.386404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.386404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.454804 (E_RNA)
where:
Base-Base interactions energy: -301.082
where: short stacking energy: -110.890
Base-Backbone interact. energy: -0.359
local terms energy: -138.013896
where:
bonds (distance) C4'-P energy: -25.077
bonds (distance) P-C4' energy: -26.741
flat angles C4'-P-C4' energy: -30.198
flat angles P-C4'-P energy: -22.617
tors. eta vs tors. theta energy: -33.381
Dist. restrs. and SS energy: 0.068 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -402.874153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.874153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.380961 (E_RNA)
where:
Base-Base interactions energy: -272.511
where: short stacking energy: -110.353
Base-Backbone interact. energy: -1.382
local terms energy: -129.487279
where:
bonds (distance) C4'-P energy: -25.291
bonds (distance) P-C4' energy: -27.767
flat angles C4'-P-C4' energy: -28.289
flat angles P-C4'-P energy: -16.230
tors. eta vs tors. theta energy: -31.912
Dist. restrs. and SS energy: 0.507 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -404.887777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.887777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.182805 (E_RNA)
where:
Base-Base interactions energy: -276.561
where: short stacking energy: -111.287
Base-Backbone interact. energy: -0.557
local terms energy: -128.064865
where:
bonds (distance) C4'-P energy: -28.237
bonds (distance) P-C4' energy: -29.700
flat angles C4'-P-C4' energy: -26.553
flat angles P-C4'-P energy: -12.078
tors. eta vs tors. theta energy: -31.497
Dist. restrs. and SS energy: 0.295 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -365.948558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.948558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.353563 (E_RNA)
where:
Base-Base interactions energy: -244.415
where: short stacking energy: -98.388
Base-Backbone interact. energy: -0.480
local terms energy: -121.458420
where:
bonds (distance) C4'-P energy: -25.428
bonds (distance) P-C4' energy: -26.710
flat angles C4'-P-C4' energy: -23.578
flat angles P-C4'-P energy: -17.180
tors. eta vs tors. theta energy: -28.561
Dist. restrs. and SS energy: 0.405 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -392.813336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.813336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.876209 (E_RNA)
where:
Base-Base interactions energy: -254.327
where: short stacking energy: -104.571
Base-Backbone interact. energy: -1.027
local terms energy: -137.522666
where:
bonds (distance) C4'-P energy: -23.004
bonds (distance) P-C4' energy: -27.741
flat angles C4'-P-C4' energy: -29.333
flat angles P-C4'-P energy: -24.219
tors. eta vs tors. theta energy: -33.226
Dist. restrs. and SS energy: 0.063 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -367.345168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.345168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.847709 (E_RNA)
where:
Base-Base interactions energy: -251.061
where: short stacking energy: -98.460
Base-Backbone interact. energy: -0.380
local terms energy: -116.407442
where:
bonds (distance) C4'-P energy: -20.762
bonds (distance) P-C4' energy: -26.434
flat angles C4'-P-C4' energy: -26.296
flat angles P-C4'-P energy: -14.928
tors. eta vs tors. theta energy: -27.987
Dist. restrs. and SS energy: 0.503 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -351.039895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.039895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.336361 (E_RNA)
where:
Base-Base interactions energy: -236.810
where: short stacking energy: -94.584
Base-Backbone interact. energy: 0.596
local terms energy: -115.123232
where:
bonds (distance) C4'-P energy: -21.382
bonds (distance) P-C4' energy: -27.158
flat angles C4'-P-C4' energy: -25.695
flat angles P-C4'-P energy: -14.886
tors. eta vs tors. theta energy: -26.003
Dist. restrs. and SS energy: 0.296 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -328.492938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.492938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.026869 (E_RNA)
where:
Base-Base interactions energy: -220.309
where: short stacking energy: -85.187
Base-Backbone interact. energy: -0.099
local terms energy: -108.619252
where:
bonds (distance) C4'-P energy: -18.471
bonds (distance) P-C4' energy: -31.592
flat angles C4'-P-C4' energy: -26.394
flat angles P-C4'-P energy: -16.339
tors. eta vs tors. theta energy: -15.823
Dist. restrs. and SS energy: 0.534 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -305.323436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.323436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.667169 (E_RNA)
where:
Base-Base interactions energy: -193.108
where: short stacking energy: -75.389
Base-Backbone interact. energy: -0.058
local terms energy: -112.501331
where:
bonds (distance) C4'-P energy: -27.424
bonds (distance) P-C4' energy: -29.777
flat angles C4'-P-C4' energy: -22.234
flat angles P-C4'-P energy: -6.858
tors. eta vs tors. theta energy: -26.209
Dist. restrs. and SS energy: 0.344 (S_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: 172
Temperature: 1.350000
Total energy: -293.763710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.763710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.239100 (E_RNA)
where:
Base-Base interactions energy: -201.244
where: short stacking energy: -76.059
Base-Backbone interact. energy: -0.698
local terms energy: -92.297657
where:
bonds (distance) C4'-P energy: -25.234
bonds (distance) P-C4' energy: -22.385
flat angles C4'-P-C4' energy: -9.733
flat angles P-C4'-P energy: -19.937
tors. eta vs tors. theta energy: -15.008
Dist. restrs. and SS energy: 0.475 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -447.914170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.914170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.060521 (E_RNA)
where:
Base-Base interactions energy: -305.699
where: short stacking energy: -114.443
Base-Backbone interact. energy: -0.886
local terms energy: -141.475837
where:
bonds (distance) C4'-P energy: -29.455
bonds (distance) P-C4' energy: -26.316
flat angles C4'-P-C4' energy: -31.547
flat angles P-C4'-P energy: -20.207
tors. eta vs tors. theta energy: -33.950
Dist. restrs. and SS energy: 0.146 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -412.213065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.213065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.356722 (E_RNA)
where:
Base-Base interactions energy: -278.231
where: short stacking energy: -114.052
Base-Backbone interact. energy: -0.573
local terms energy: -134.552089
where:
bonds (distance) C4'-P energy: -29.860
bonds (distance) P-C4' energy: -27.633
flat angles C4'-P-C4' energy: -25.543
flat angles P-C4'-P energy: -15.995
tors. eta vs tors. theta energy: -35.520
Dist. restrs. and SS energy: 1.144 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -397.244943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.244943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.577926 (E_RNA)
where:
Base-Base interactions energy: -268.430
where: short stacking energy: -91.221
Base-Backbone interact. energy: -1.172
local terms energy: -127.976149
where:
bonds (distance) C4'-P energy: -24.379
bonds (distance) P-C4' energy: -31.890
flat angles C4'-P-C4' energy: -26.924
flat angles P-C4'-P energy: -21.915
tors. eta vs tors. theta energy: -22.867
Dist. restrs. and SS energy: 0.333 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -388.228237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.228237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.434376 (E_RNA)
where:
Base-Base interactions energy: -258.234
where: short stacking energy: -108.213
Base-Backbone interact. energy: -0.324
local terms energy: -129.876649
where:
bonds (distance) C4'-P energy: -24.176
bonds (distance) P-C4' energy: -30.674
flat angles C4'-P-C4' energy: -26.144
flat angles P-C4'-P energy: -18.267
tors. eta vs tors. theta energy: -30.616
Dist. restrs. and SS energy: 0.206 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -361.721081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.721081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.859924 (E_RNA)
where:
Base-Base interactions energy: -241.606
where: short stacking energy: -96.759
Base-Backbone interact. energy: -0.886
local terms energy: -119.368228
where:
bonds (distance) C4'-P energy: -22.089
bonds (distance) P-C4' energy: -31.171
flat angles C4'-P-C4' energy: -27.338
flat angles P-C4'-P energy: -15.217
tors. eta vs tors. theta energy: -23.553
Dist. restrs. and SS energy: 0.139 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -358.335531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.335531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.929023 (E_RNA)
where:
Base-Base interactions energy: -231.778
where: short stacking energy: -96.737
Base-Backbone interact. energy: -0.998
local terms energy: -126.152843
where:
bonds (distance) C4'-P energy: -23.299
bonds (distance) P-C4' energy: -25.132
flat angles C4'-P-C4' energy: -28.171
flat angles P-C4'-P energy: -21.872
tors. eta vs tors. theta energy: -27.678
Dist. restrs. and SS energy: 0.593 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -357.081412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.081412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.167818 (E_RNA)
where:
Base-Base interactions energy: -249.534
where: short stacking energy: -98.450
Base-Backbone interact. energy: -0.513
local terms energy: -107.120361
where:
bonds (distance) C4'-P energy: -23.884
bonds (distance) P-C4' energy: -24.425
flat angles C4'-P-C4' energy: -23.373
flat angles P-C4'-P energy: -10.877
tors. eta vs tors. theta energy: -24.562
Dist. restrs. and SS energy: 0.086 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -345.024813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.024813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.103933 (E_RNA)
where:
Base-Base interactions energy: -236.966
where: short stacking energy: -93.781
Base-Backbone interact. energy: -0.938
local terms energy: -107.200434
where:
bonds (distance) C4'-P energy: -21.535
bonds (distance) P-C4' energy: -19.165
flat angles C4'-P-C4' energy: -25.202
flat angles P-C4'-P energy: -13.477
tors. eta vs tors. theta energy: -27.821
Dist. restrs. and SS energy: 0.079 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -310.757091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.757091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.177825 (E_RNA)
where:
Base-Base interactions energy: -207.590
where: short stacking energy: -75.807
Base-Backbone interact. energy: -0.485
local terms energy: -103.102835
where:
bonds (distance) C4'-P energy: -22.562
bonds (distance) P-C4' energy: -24.053
flat angles C4'-P-C4' energy: -22.419
flat angles P-C4'-P energy: -15.654
tors. eta vs tors. theta energy: -18.415
Dist. restrs. and SS energy: 0.421 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -296.563443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.563443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.148903 (E_RNA)
where:
Base-Base interactions energy: -214.612
where: short stacking energy: -79.315
Base-Backbone interact. energy: -0.260
local terms energy: -82.277025
where:
bonds (distance) C4'-P energy: -18.654
bonds (distance) P-C4' energy: -19.610
flat angles C4'-P-C4' energy: -21.164
flat angles P-C4'-P energy: -10.740
tors. eta vs tors. theta energy: -12.109
Dist. restrs. and SS energy: 0.585 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -440.516818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.516818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.552182 (E_RNA)
where:
Base-Base interactions energy: -304.981
where: short stacking energy: -114.176
Base-Backbone interact. energy: -0.560
local terms energy: -135.011298
where:
bonds (distance) C4'-P energy: -26.672
bonds (distance) P-C4' energy: -29.663
flat angles C4'-P-C4' energy: -27.873
flat angles P-C4'-P energy: -19.021
tors. eta vs tors. theta energy: -31.781
Dist. restrs. and SS energy: 0.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -406.155374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.155374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.507500 (E_RNA)
where:
Base-Base interactions energy: -275.620
where: short stacking energy: -114.928
Base-Backbone interact. energy: -0.100
local terms energy: -130.787668
where:
bonds (distance) C4'-P energy: -27.951
bonds (distance) P-C4' energy: -22.393
flat angles C4'-P-C4' energy: -27.147
flat angles P-C4'-P energy: -20.059
tors. eta vs tors. theta energy: -33.237
Dist. restrs. and SS energy: 0.352 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -402.622777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.622777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.827911 (E_RNA)
where:
Base-Base interactions energy: -261.641
where: short stacking energy: -107.173
Base-Backbone interact. energy: -3.433
local terms energy: -137.753279
where:
bonds (distance) C4'-P energy: -30.650
bonds (distance) P-C4' energy: -25.519
flat angles C4'-P-C4' energy: -28.115
flat angles P-C4'-P energy: -18.189
tors. eta vs tors. theta energy: -35.279
Dist. restrs. and SS energy: 0.205 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -399.265149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.265149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.493846 (E_RNA)
where:
Base-Base interactions energy: -276.078
where: short stacking energy: -118.324
Base-Backbone interact. energy: -1.909
local terms energy: -121.507170
where:
bonds (distance) C4'-P energy: -19.784
bonds (distance) P-C4' energy: -28.509
flat angles C4'-P-C4' energy: -29.156
flat angles P-C4'-P energy: -10.266
tors. eta vs tors. theta energy: -33.792
Dist. restrs. and SS energy: 0.229 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -367.674788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.674788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.815449 (E_RNA)
where:
Base-Base interactions energy: -240.622
where: short stacking energy: -88.279
Base-Backbone interact. energy: -0.321
local terms energy: -126.872454
where:
bonds (distance) C4'-P energy: -27.164
bonds (distance) P-C4' energy: -30.164
flat angles C4'-P-C4' energy: -26.564
flat angles P-C4'-P energy: -15.211
tors. eta vs tors. theta energy: -27.770
Dist. restrs. and SS energy: 0.141 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -357.532994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.532994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.914072 (E_RNA)
where:
Base-Base interactions energy: -243.828
where: short stacking energy: -94.600
Base-Backbone interact. energy: -1.431
local terms energy: -112.654836
where:
bonds (distance) C4'-P energy: -23.907
bonds (distance) P-C4' energy: -24.457
flat angles C4'-P-C4' energy: -25.954
flat angles P-C4'-P energy: -13.732
tors. eta vs tors. theta energy: -24.605
Dist. restrs. and SS energy: 0.381 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -361.697873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.697873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.000100 (E_RNA)
where:
Base-Base interactions energy: -238.133
where: short stacking energy: -100.819
Base-Backbone interact. energy: -0.709
local terms energy: -123.157186
where:
bonds (distance) C4'-P energy: -28.713
bonds (distance) P-C4' energy: -28.328
flat angles C4'-P-C4' energy: -22.713
flat angles P-C4'-P energy: -18.162
tors. eta vs tors. theta energy: -25.241
Dist. restrs. and SS energy: 0.302 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -346.840367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.840367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.156327 (E_RNA)
where:
Base-Base interactions energy: -238.317
where: short stacking energy: -96.568
Base-Backbone interact. energy: -0.199
local terms energy: -108.639564
where:
bonds (distance) C4'-P energy: -12.734
bonds (distance) P-C4' energy: -27.703
flat angles C4'-P-C4' energy: -31.289
flat angles P-C4'-P energy: -12.104
tors. eta vs tors. theta energy: -24.809
Dist. restrs. and SS energy: 0.316 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -311.281285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.281285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.769974 (E_RNA)
where:
Base-Base interactions energy: -212.275
where: short stacking energy: -80.352
Base-Backbone interact. energy: 1.155
local terms energy: -100.649964
where:
bonds (distance) C4'-P energy: -19.038
bonds (distance) P-C4' energy: -20.509
flat angles C4'-P-C4' energy: -27.246
flat angles P-C4'-P energy: -16.789
tors. eta vs tors. theta energy: -17.068
Dist. restrs. and SS energy: 0.489 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -315.526381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.526381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.757120 (E_RNA)
where:
Base-Base interactions energy: -216.502
where: short stacking energy: -82.668
Base-Backbone interact. energy: -0.211
local terms energy: -99.043645
where:
bonds (distance) C4'-P energy: -13.084
bonds (distance) P-C4' energy: -22.132
flat angles C4'-P-C4' energy: -27.574
flat angles P-C4'-P energy: -14.868
tors. eta vs tors. theta energy: -21.386
Dist. restrs. and SS energy: 0.231 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -439.116531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.116531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.597238 (E_RNA)
where:
Base-Base interactions energy: -300.656
where: short stacking energy: -112.261
Base-Backbone interact. energy: -0.533
local terms energy: -138.408530
where:
bonds (distance) C4'-P energy: -28.577
bonds (distance) P-C4' energy: -30.204
flat angles C4'-P-C4' energy: -28.438
flat angles P-C4'-P energy: -15.608
tors. eta vs tors. theta energy: -35.583
Dist. restrs. and SS energy: 0.481 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -407.300984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.300984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.641580 (E_RNA)
where:
Base-Base interactions energy: -280.004
where: short stacking energy: -108.305
Base-Backbone interact. energy: -0.445
local terms energy: -127.192264
where:
bonds (distance) C4'-P energy: -22.988
bonds (distance) P-C4' energy: -25.483
flat angles C4'-P-C4' energy: -31.570
flat angles P-C4'-P energy: -18.953
tors. eta vs tors. theta energy: -28.198
Dist. restrs. and SS energy: 0.341 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -396.636674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.636674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.652827 (E_RNA)
where:
Base-Base interactions energy: -267.351
where: short stacking energy: -110.168
Base-Backbone interact. energy: 1.020
local terms energy: -130.321554
where:
bonds (distance) C4'-P energy: -22.347
bonds (distance) P-C4' energy: -28.959
flat angles C4'-P-C4' energy: -26.701
flat angles P-C4'-P energy: -21.209
tors. eta vs tors. theta energy: -31.105
Dist. restrs. and SS energy: 0.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -398.883841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.883841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.064505 (E_RNA)
where:
Base-Base interactions energy: -273.772
where: short stacking energy: -105.475
Base-Backbone interact. energy: 0.647
local terms energy: -125.939382
where:
bonds (distance) C4'-P energy: -22.134
bonds (distance) P-C4' energy: -26.004
flat angles C4'-P-C4' energy: -30.057
flat angles P-C4'-P energy: -18.540
tors. eta vs tors. theta energy: -29.204
Dist. restrs. and SS energy: 0.181 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -363.164904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.164904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.656971 (E_RNA)
where:
Base-Base interactions energy: -240.520
where: short stacking energy: -99.003
Base-Backbone interact. energy: -0.455
local terms energy: -122.681985
where:
bonds (distance) C4'-P energy: -24.394
bonds (distance) P-C4' energy: -27.978
flat angles C4'-P-C4' energy: -25.294
flat angles P-C4'-P energy: -14.785
tors. eta vs tors. theta energy: -30.231
Dist. restrs. and SS energy: 0.492 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -363.121482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.121482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.831723 (E_RNA)
where:
Base-Base interactions energy: -244.256
where: short stacking energy: -99.187
Base-Backbone interact. energy: -0.517
local terms energy: -119.058430
where:
bonds (distance) C4'-P energy: -28.423
bonds (distance) P-C4' energy: -20.673
flat angles C4'-P-C4' energy: -26.351
flat angles P-C4'-P energy: -16.533
tors. eta vs tors. theta energy: -27.078
Dist. restrs. and SS energy: 0.710 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -359.913622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.913622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.968402 (E_RNA)
where:
Base-Base interactions energy: -252.552
where: short stacking energy: -105.551
Base-Backbone interact. energy: -0.354
local terms energy: -107.062884
where:
bonds (distance) C4'-P energy: -18.459
bonds (distance) P-C4' energy: -24.581
flat angles C4'-P-C4' energy: -23.746
flat angles P-C4'-P energy: -16.603
tors. eta vs tors. theta energy: -23.673
Dist. restrs. and SS energy: 0.055 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -338.703985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.703985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.858215 (E_RNA)
where:
Base-Base interactions energy: -225.961
where: short stacking energy: -88.089
Base-Backbone interact. energy: -0.882
local terms energy: -112.015569
where:
bonds (distance) C4'-P energy: -19.054
bonds (distance) P-C4' energy: -28.180
flat angles C4'-P-C4' energy: -28.825
flat angles P-C4'-P energy: -14.497
tors. eta vs tors. theta energy: -21.459
Dist. restrs. and SS energy: 0.154 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -325.059831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.059831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.158098 (E_RNA)
where:
Base-Base interactions energy: -212.389
where: short stacking energy: -73.552
Base-Backbone interact. energy: -1.139
local terms energy: -111.629749
where:
bonds (distance) C4'-P energy: -25.957
bonds (distance) P-C4' energy: -24.381
flat angles C4'-P-C4' energy: -25.431
flat angles P-C4'-P energy: -16.386
tors. eta vs tors. theta energy: -19.475
Dist. restrs. and SS energy: 0.098 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -322.697213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.697213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.004041 (E_RNA)
where:
Base-Base interactions energy: -222.111
where: short stacking energy: -87.874
Base-Backbone interact. energy: -0.845
local terms energy: -100.048870
where:
bonds (distance) C4'-P energy: -15.581
bonds (distance) P-C4' energy: -24.848
flat angles C4'-P-C4' energy: -28.075
flat angles P-C4'-P energy: -13.224
tors. eta vs tors. theta energy: -18.321
Dist. restrs. and SS energy: 0.307 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -450.950563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.950563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.097926 (E_RNA)
where:
Base-Base interactions energy: -315.633
where: short stacking energy: -124.550
Base-Backbone interact. energy: -0.411
local terms energy: -135.054289
where:
bonds (distance) C4'-P energy: -24.721
bonds (distance) P-C4' energy: -24.254
flat angles C4'-P-C4' energy: -28.805
flat angles P-C4'-P energy: -20.210
tors. eta vs tors. theta energy: -37.065
Dist. restrs. and SS energy: 0.147 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -404.506502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.506502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.983948 (E_RNA)
where:
Base-Base interactions energy: -274.565
where: short stacking energy: -119.861
Base-Backbone interact. energy: -0.442
local terms energy: -129.977672
where:
bonds (distance) C4'-P energy: -28.477
bonds (distance) P-C4' energy: -22.398
flat angles C4'-P-C4' energy: -29.149
flat angles P-C4'-P energy: -18.102
tors. eta vs tors. theta energy: -31.852
Dist. restrs. and SS energy: 0.477 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -398.439312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.439312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.551673 (E_RNA)
where:
Base-Base interactions energy: -269.379
where: short stacking energy: -111.165
Base-Backbone interact. energy: -0.250
local terms energy: -128.921989
where:
bonds (distance) C4'-P energy: -23.493
bonds (distance) P-C4' energy: -25.936
flat angles C4'-P-C4' energy: -22.902
flat angles P-C4'-P energy: -21.748
tors. eta vs tors. theta energy: -34.843
Dist. restrs. and SS energy: 0.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -387.142080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.142080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.640114 (E_RNA)
where:
Base-Base interactions energy: -266.113
where: short stacking energy: -104.429
Base-Backbone interact. energy: -0.331
local terms energy: -121.196818
where:
bonds (distance) C4'-P energy: -17.922
bonds (distance) P-C4' energy: -28.457
flat angles C4'-P-C4' energy: -25.356
flat angles P-C4'-P energy: -18.662
tors. eta vs tors. theta energy: -30.800
Dist. restrs. and SS energy: 0.498 (S_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: 176
Temperature: 1.100000
Total energy: -364.922311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.922311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.515844 (E_RNA)
where:
Base-Base interactions energy: -245.619
where: short stacking energy: -100.151
Base-Backbone interact. energy: -0.912
local terms energy: -118.984566
where:
bonds (distance) C4'-P energy: -25.328
bonds (distance) P-C4' energy: -26.319
flat angles C4'-P-C4' energy: -21.197
flat angles P-C4'-P energy: -18.317
tors. eta vs tors. theta energy: -27.823
Dist. restrs. and SS energy: 0.594 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -355.730402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.730402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.375998 (E_RNA)
where:
Base-Base interactions energy: -237.791
where: short stacking energy: -103.363
Base-Backbone interact. energy: -0.403
local terms energy: -118.182249
where:
bonds (distance) C4'-P energy: -17.870
bonds (distance) P-C4' energy: -26.406
flat angles C4'-P-C4' energy: -27.574
flat angles P-C4'-P energy: -15.159
tors. eta vs tors. theta energy: -31.174
Dist. restrs. and SS energy: 0.646 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -347.358260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.358260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.592359 (E_RNA)
where:
Base-Base interactions energy: -240.900
where: short stacking energy: -101.751
Base-Backbone interact. energy: -1.109
local terms energy: -105.583268
where:
bonds (distance) C4'-P energy: -16.310
bonds (distance) P-C4' energy: -28.214
flat angles C4'-P-C4' energy: -23.921
flat angles P-C4'-P energy: -10.994
tors. eta vs tors. theta energy: -26.143
Dist. restrs. and SS energy: 0.234 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -341.908167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.908167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.540608 (E_RNA)
where:
Base-Base interactions energy: -228.708
where: short stacking energy: -97.323
Base-Backbone interact. energy: 1.052
local terms energy: -114.883902
where:
bonds (distance) C4'-P energy: -28.031
bonds (distance) P-C4' energy: -23.720
flat angles C4'-P-C4' energy: -22.551
flat angles P-C4'-P energy: -11.212
tors. eta vs tors. theta energy: -29.369
Dist. restrs. and SS energy: 0.632 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -329.642926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.642926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.945421 (E_RNA)
where:
Base-Base interactions energy: -215.261
where: short stacking energy: -81.425
Base-Backbone interact. energy: -0.439
local terms energy: -114.245452
where:
bonds (distance) C4'-P energy: -25.902
bonds (distance) P-C4' energy: -19.472
flat angles C4'-P-C4' energy: -26.894
flat angles P-C4'-P energy: -22.225
tors. eta vs tors. theta energy: -19.753
Dist. restrs. and SS energy: 0.302 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -317.048130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.048130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.308839 (E_RNA)
where:
Base-Base interactions energy: -216.891
where: short stacking energy: -71.754
Base-Backbone interact. energy: -0.371
local terms energy: -100.046916
where:
bonds (distance) C4'-P energy: -20.354
bonds (distance) P-C4' energy: -19.600
flat angles C4'-P-C4' energy: -30.135
flat angles P-C4'-P energy: -12.905
tors. eta vs tors. theta energy: -17.053
Dist. restrs. and SS energy: 0.261 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -440.119459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.119459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.568786 (E_RNA)
where:
Base-Base interactions energy: -301.529
where: short stacking energy: -118.788
Base-Backbone interact. energy: -0.555
local terms energy: -138.484675
where:
bonds (distance) C4'-P energy: -29.429
bonds (distance) P-C4' energy: -29.392
flat angles C4'-P-C4' energy: -25.068
flat angles P-C4'-P energy: -18.650
tors. eta vs tors. theta energy: -35.945
Dist. restrs. and SS energy: 0.449 (S_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: 177
Temperature: 0.950000
Total energy: -404.228216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.228216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.330752 (E_RNA)
where:
Base-Base interactions energy: -272.107
where: short stacking energy: -116.942
Base-Backbone interact. energy: 0.734
local terms energy: -132.957706
where:
bonds (distance) C4'-P energy: -28.933
bonds (distance) P-C4' energy: -20.667
flat angles C4'-P-C4' energy: -31.588
flat angles P-C4'-P energy: -21.770
tors. eta vs tors. theta energy: -29.999
Dist. restrs. and SS energy: 0.103 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -394.459952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.459952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.740211 (E_RNA)
where:
Base-Base interactions energy: -268.278
where: short stacking energy: -104.236
Base-Backbone interact. energy: -0.515
local terms energy: -125.947519
where:
bonds (distance) C4'-P energy: -25.659
bonds (distance) P-C4' energy: -25.401
flat angles C4'-P-C4' energy: -29.502
flat angles P-C4'-P energy: -18.553
tors. eta vs tors. theta energy: -26.833
Dist. restrs. and SS energy: 0.280 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -389.646940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.646940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.744531 (E_RNA)
where:
Base-Base interactions energy: -265.244
where: short stacking energy: -103.959
Base-Backbone interact. energy: -0.108
local terms energy: -124.392585
where:
bonds (distance) C4'-P energy: -27.715
bonds (distance) P-C4' energy: -23.258
flat angles C4'-P-C4' energy: -23.212
flat angles P-C4'-P energy: -17.906
tors. eta vs tors. theta energy: -32.302
Dist. restrs. and SS energy: 0.098 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -369.206588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.206588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.820021 (E_RNA)
where:
Base-Base interactions energy: -253.727
where: short stacking energy: -102.160
Base-Backbone interact. energy: -0.832
local terms energy: -115.260744
where:
bonds (distance) C4'-P energy: -26.281
bonds (distance) P-C4' energy: -28.424
flat angles C4'-P-C4' energy: -21.912
flat angles P-C4'-P energy: -16.431
tors. eta vs tors. theta energy: -22.214
Dist. restrs. and SS energy: 0.613 (S_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: -362.711134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.711134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.250289 (E_RNA)
where:
Base-Base interactions energy: -247.797
where: short stacking energy: -97.690
Base-Backbone interact. energy: -0.366
local terms energy: -115.087784
where:
bonds (distance) C4'-P energy: -23.257
bonds (distance) P-C4' energy: -24.623
flat angles C4'-P-C4' energy: -26.721
flat angles P-C4'-P energy: -19.362
tors. eta vs tors. theta energy: -21.125
Dist. restrs. and SS energy: 0.539 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -345.478680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.478680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.166386 (E_RNA)
where:
Base-Base interactions energy: -223.517
where: short stacking energy: -92.638
Base-Backbone interact. energy: -1.115
local terms energy: -121.534096
where:
bonds (distance) C4'-P energy: -26.879
bonds (distance) P-C4' energy: -25.826
flat angles C4'-P-C4' energy: -24.450
flat angles P-C4'-P energy: -19.991
tors. eta vs tors. theta energy: -24.388
Dist. restrs. and SS energy: 0.688 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -339.497329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.497329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.802005 (E_RNA)
where:
Base-Base interactions energy: -236.308
where: short stacking energy: -85.353
Base-Backbone interact. energy: -0.326
local terms energy: -103.167810
where:
bonds (distance) C4'-P energy: -20.661
bonds (distance) P-C4' energy: -23.215
flat angles C4'-P-C4' energy: -23.878
flat angles P-C4'-P energy: -10.165
tors. eta vs tors. theta energy: -25.249
Dist. restrs. and SS energy: 0.305 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -332.383172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.383172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.686740 (E_RNA)
where:
Base-Base interactions energy: -227.132
where: short stacking energy: -84.851
Base-Backbone interact. energy: -0.808
local terms energy: -104.746800
where:
bonds (distance) C4'-P energy: -20.867
bonds (distance) P-C4' energy: -25.589
flat angles C4'-P-C4' energy: -21.498
flat angles P-C4'-P energy: -14.609
tors. eta vs tors. theta energy: -22.183
Dist. restrs. and SS energy: 0.304 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -313.190391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.190391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.553237 (E_RNA)
where:
Base-Base interactions energy: -213.883
where: short stacking energy: -90.208
Base-Backbone interact. energy: 0.267
local terms energy: -99.936812
where:
bonds (distance) C4'-P energy: -11.607
bonds (distance) P-C4' energy: -27.340
flat angles C4'-P-C4' energy: -23.058
flat angles P-C4'-P energy: -17.300
tors. eta vs tors. theta energy: -20.631
Dist. restrs. and SS energy: 0.363 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -443.986042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.986042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.058250 (E_RNA)
where:
Base-Base interactions energy: -312.092
where: short stacking energy: -117.123
Base-Backbone interact. energy: -0.566
local terms energy: -131.400312
where:
bonds (distance) C4'-P energy: -24.855
bonds (distance) P-C4' energy: -31.347
flat angles C4'-P-C4' energy: -27.291
flat angles P-C4'-P energy: -16.142
tors. eta vs tors. theta energy: -31.766
Dist. restrs. and SS energy: 0.072 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -411.976843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.976843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.031493 (E_RNA)
where:
Base-Base interactions energy: -279.456
where: short stacking energy: -129.306
Base-Backbone interact. energy: -0.228
local terms energy: -132.346945
where:
bonds (distance) C4'-P energy: -29.728
bonds (distance) P-C4' energy: -24.308
flat angles C4'-P-C4' energy: -23.885
flat angles P-C4'-P energy: -17.626
tors. eta vs tors. theta energy: -36.801
Dist. restrs. and SS energy: 0.055 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -401.009535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.009535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.264803 (E_RNA)
where:
Base-Base interactions energy: -263.524
where: short stacking energy: -109.014
Base-Backbone interact. energy: -0.276
local terms energy: -137.464614
where:
bonds (distance) C4'-P energy: -29.372
bonds (distance) P-C4' energy: -30.252
flat angles C4'-P-C4' energy: -29.166
flat angles P-C4'-P energy: -16.691
tors. eta vs tors. theta energy: -31.985
Dist. restrs. and SS energy: 0.255 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -379.468105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.468105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.611537 (E_RNA)
where:
Base-Base interactions energy: -256.345
where: short stacking energy: -107.161
Base-Backbone interact. energy: -0.401
local terms energy: -122.865427
where:
bonds (distance) C4'-P energy: -23.113
bonds (distance) P-C4' energy: -22.705
flat angles C4'-P-C4' energy: -26.382
flat angles P-C4'-P energy: -19.885
tors. eta vs tors. theta energy: -30.781
Dist. restrs. and SS energy: 0.143 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -391.623593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.623593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.950896 (E_RNA)
where:
Base-Base interactions energy: -261.639
where: short stacking energy: -107.940
Base-Backbone interact. energy: 0.509
local terms energy: -130.820440
where:
bonds (distance) C4'-P energy: -23.855
bonds (distance) P-C4' energy: -31.204
flat angles C4'-P-C4' energy: -24.181
flat angles P-C4'-P energy: -19.682
tors. eta vs tors. theta energy: -31.898
Dist. restrs. and SS energy: 0.327 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -339.274782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.274782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.078852 (E_RNA)
where:
Base-Base interactions energy: -224.404
where: short stacking energy: -91.250
Base-Backbone interact. energy: 0.195
local terms energy: -115.869797
where:
bonds (distance) C4'-P energy: -21.734
bonds (distance) P-C4' energy: -29.109
flat angles C4'-P-C4' energy: -30.992
flat angles P-C4'-P energy: -15.081
tors. eta vs tors. theta energy: -18.954
Dist. restrs. and SS energy: 0.804 (S_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: -361.927235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.927235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.275890 (E_RNA)
where:
Base-Base interactions energy: -236.113
where: short stacking energy: -96.356
Base-Backbone interact. energy: 0.143
local terms energy: -126.305777
where:
bonds (distance) C4'-P energy: -23.872
bonds (distance) P-C4' energy: -26.894
flat angles C4'-P-C4' energy: -23.206
flat angles P-C4'-P energy: -20.100
tors. eta vs tors. theta energy: -32.234
Dist. restrs. and SS energy: 0.349 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -342.643850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.643850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.153150 (E_RNA)
where:
Base-Base interactions energy: -222.740
where: short stacking energy: -91.391
Base-Backbone interact. energy: -0.676
local terms energy: -119.737202
where:
bonds (distance) C4'-P energy: -26.955
bonds (distance) P-C4' energy: -23.733
flat angles C4'-P-C4' energy: -27.631
flat angles P-C4'-P energy: -18.845
tors. eta vs tors. theta energy: -22.573
Dist. restrs. and SS energy: 0.509 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -321.341289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.341289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.564314 (E_RNA)
where:
Base-Base interactions energy: -214.521
where: short stacking energy: -82.880
Base-Backbone interact. energy: 1.730
local terms energy: -108.773229
where:
bonds (distance) C4'-P energy: -26.285
bonds (distance) P-C4' energy: -24.746
flat angles C4'-P-C4' energy: -20.076
flat angles P-C4'-P energy: -12.535
tors. eta vs tors. theta energy: -25.131
Dist. restrs. and SS energy: 0.223 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -321.173509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.173509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.529567 (E_RNA)
where:
Base-Base interactions energy: -210.044
where: short stacking energy: -79.110
Base-Backbone interact. energy: -0.040
local terms energy: -111.445522
where:
bonds (distance) C4'-P energy: -25.441
bonds (distance) P-C4' energy: -18.766
flat angles C4'-P-C4' energy: -26.953
flat angles P-C4'-P energy: -16.839
tors. eta vs tors. theta energy: -23.446
Dist. restrs. and SS energy: 0.356 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -438.342567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.342567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.577649 (E_RNA)
where:
Base-Base interactions energy: -298.736
where: short stacking energy: -111.362
Base-Backbone interact. energy: -0.767
local terms energy: -139.075379
where:
bonds (distance) C4'-P energy: -28.657
bonds (distance) P-C4' energy: -29.957
flat angles C4'-P-C4' energy: -29.234
flat angles P-C4'-P energy: -16.469
tors. eta vs tors. theta energy: -34.758
Dist. restrs. and SS energy: 0.235 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -405.408712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.408712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.445876 (E_RNA)
where:
Base-Base interactions energy: -285.339
where: short stacking energy: -123.073
Base-Backbone interact. energy: 0.923
local terms energy: -121.029734
where:
bonds (distance) C4'-P energy: -19.707
bonds (distance) P-C4' energy: -23.059
flat angles C4'-P-C4' energy: -30.345
flat angles P-C4'-P energy: -14.764
tors. eta vs tors. theta energy: -33.154
Dist. restrs. and SS energy: 0.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -420.553196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.553196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.684202 (E_RNA)
where:
Base-Base interactions energy: -277.211
where: short stacking energy: -127.195
Base-Backbone interact. energy: -0.591
local terms energy: -142.882163
where:
bonds (distance) C4'-P energy: -26.817
bonds (distance) P-C4' energy: -31.468
flat angles C4'-P-C4' energy: -29.699
flat angles P-C4'-P energy: -21.868
tors. eta vs tors. theta energy: -33.031
Dist. restrs. and SS energy: 0.131 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -390.572419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.572419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.793092 (E_RNA)
where:
Base-Base interactions energy: -263.641
where: short stacking energy: -106.565
Base-Backbone interact. energy: 0.758
local terms energy: -127.910203
where:
bonds (distance) C4'-P energy: -27.177
bonds (distance) P-C4' energy: -25.638
flat angles C4'-P-C4' energy: -30.536
flat angles P-C4'-P energy: -14.710
tors. eta vs tors. theta energy: -29.850
Dist. restrs. and SS energy: 0.221 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -383.477057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.477057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.605267 (E_RNA)
where:
Base-Base interactions energy: -259.296
where: short stacking energy: -101.588
Base-Backbone interact. energy: -0.908
local terms energy: -123.401096
where:
bonds (distance) C4'-P energy: -26.059
bonds (distance) P-C4' energy: -21.296
flat angles C4'-P-C4' energy: -25.481
flat angles P-C4'-P energy: -17.654
tors. eta vs tors. theta energy: -32.910
Dist. restrs. and SS energy: 0.128 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -357.665727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.665727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.892881 (E_RNA)
where:
Base-Base interactions energy: -239.793
where: short stacking energy: -102.651
Base-Backbone interact. energy: -0.017
local terms energy: -118.083179
where:
bonds (distance) C4'-P energy: -24.275
bonds (distance) P-C4' energy: -24.769
flat angles C4'-P-C4' energy: -27.809
flat angles P-C4'-P energy: -17.371
tors. eta vs tors. theta energy: -23.859
Dist. restrs. and SS energy: 0.227 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -353.140098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.140098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.220280 (E_RNA)
where:
Base-Base interactions energy: -248.904
where: short stacking energy: -102.974
Base-Backbone interact. energy: 1.766
local terms energy: -106.082829
where:
bonds (distance) C4'-P energy: -23.548
bonds (distance) P-C4' energy: -22.612
flat angles C4'-P-C4' energy: -24.310
flat angles P-C4'-P energy: -9.848
tors. eta vs tors. theta energy: -25.764
Dist. restrs. and SS energy: 0.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -331.998380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.998380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.652510 (E_RNA)
where:
Base-Base interactions energy: -223.503
where: short stacking energy: -87.310
Base-Backbone interact. energy: -0.540
local terms energy: -108.609748
where:
bonds (distance) C4'-P energy: -18.628
bonds (distance) P-C4' energy: -23.023
flat angles C4'-P-C4' energy: -25.017
flat angles P-C4'-P energy: -13.590
tors. eta vs tors. theta energy: -28.352
Dist. restrs. and SS energy: 0.654 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -321.909640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.909640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.327092 (E_RNA)
where:
Base-Base interactions energy: -219.369
where: short stacking energy: -85.082
Base-Backbone interact. energy: 0.119
local terms energy: -103.077066
where:
bonds (distance) C4'-P energy: -25.335
bonds (distance) P-C4' energy: -24.506
flat angles C4'-P-C4' energy: -24.993
flat angles P-C4'-P energy: -6.970
tors. eta vs tors. theta energy: -21.273
Dist. restrs. and SS energy: 0.417 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -332.321202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.321202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.671049 (E_RNA)
where:
Base-Base interactions energy: -231.886
where: short stacking energy: -92.027
Base-Backbone interact. energy: -0.514
local terms energy: -100.271320
where:
bonds (distance) C4'-P energy: -18.392
bonds (distance) P-C4' energy: -20.237
flat angles C4'-P-C4' energy: -26.190
flat angles P-C4'-P energy: -9.579
tors. eta vs tors. theta energy: -25.873
Dist. restrs. and SS energy: 0.350 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -446.838941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.838941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.091595 (E_RNA)
where:
Base-Base interactions energy: -303.538
where: short stacking energy: -119.120
Base-Backbone interact. energy: -0.592
local terms energy: -142.961563
where:
bonds (distance) C4'-P energy: -29.862
bonds (distance) P-C4' energy: -30.635
flat angles C4'-P-C4' energy: -26.401
flat angles P-C4'-P energy: -20.956
tors. eta vs tors. theta energy: -35.108
Dist. restrs. and SS energy: 0.253 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -411.075628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.075628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.075628 (E_RNA)
where:
Base-Base interactions energy: -273.266
where: short stacking energy: -119.980
Base-Backbone interact. energy: -0.639
local terms energy: -137.170978
where:
bonds (distance) C4'-P energy: -27.608
bonds (distance) P-C4' energy: -23.761
flat angles C4'-P-C4' energy: -28.462
flat angles P-C4'-P energy: -20.568
tors. eta vs tors. theta energy: -36.772
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -402.578309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.578309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.607816 (E_RNA)
where:
Base-Base interactions energy: -273.452
where: short stacking energy: -103.178
Base-Backbone interact. energy: -1.326
local terms energy: -127.830590
where:
bonds (distance) C4'-P energy: -25.297
bonds (distance) P-C4' energy: -23.725
flat angles C4'-P-C4' energy: -27.117
flat angles P-C4'-P energy: -19.625
tors. eta vs tors. theta energy: -32.067
Dist. restrs. and SS energy: 0.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -395.313820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.313820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.534398 (E_RNA)
where:
Base-Base interactions energy: -267.218
where: short stacking energy: -110.586
Base-Backbone interact. energy: -0.751
local terms energy: -127.565414
where:
bonds (distance) C4'-P energy: -26.971
bonds (distance) P-C4' energy: -30.157
flat angles C4'-P-C4' energy: -27.894
flat angles P-C4'-P energy: -13.248
tors. eta vs tors. theta energy: -29.295
Dist. restrs. and SS energy: 0.221 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -366.385584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.385584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.467388 (E_RNA)
where:
Base-Base interactions energy: -239.453
where: short stacking energy: -95.314
Base-Backbone interact. energy: -1.441
local terms energy: -125.573565
where:
bonds (distance) C4'-P energy: -22.580
bonds (distance) P-C4' energy: -25.791
flat angles C4'-P-C4' energy: -29.200
flat angles P-C4'-P energy: -16.577
tors. eta vs tors. theta energy: -31.425
Dist. restrs. and SS energy: 0.082 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -357.003487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.003487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.215805 (E_RNA)
where:
Base-Base interactions energy: -236.387
where: short stacking energy: -93.587
Base-Backbone interact. energy: -0.662
local terms energy: -120.166066
where:
bonds (distance) C4'-P energy: -27.534
bonds (distance) P-C4' energy: -26.193
flat angles C4'-P-C4' energy: -26.434
flat angles P-C4'-P energy: -13.764
tors. eta vs tors. theta energy: -26.242
Dist. restrs. and SS energy: 0.212 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -354.122695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.122695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.601752 (E_RNA)
where:
Base-Base interactions energy: -235.532
where: short stacking energy: -95.694
Base-Backbone interact. energy: -0.476
local terms energy: -118.593986
where:
bonds (distance) C4'-P energy: -14.559
bonds (distance) P-C4' energy: -23.829
flat angles C4'-P-C4' energy: -30.667
flat angles P-C4'-P energy: -21.146
tors. eta vs tors. theta energy: -28.392
Dist. restrs. and SS energy: 0.479 (S_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: -348.515318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.515318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.100644 (E_RNA)
where:
Base-Base interactions energy: -221.810
where: short stacking energy: -90.498
Base-Backbone interact. energy: -0.855
local terms energy: -126.435935
where:
bonds (distance) C4'-P energy: -27.264
bonds (distance) P-C4' energy: -25.838
flat angles C4'-P-C4' energy: -29.677
flat angles P-C4'-P energy: -15.590
tors. eta vs tors. theta energy: -28.066
Dist. restrs. and SS energy: 0.585 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -347.240277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.240277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.982369 (E_RNA)
where:
Base-Base interactions energy: -232.583
where: short stacking energy: -98.707
Base-Backbone interact. energy: 3.030
local terms energy: -118.429679
where:
bonds (distance) C4'-P energy: -26.540
bonds (distance) P-C4' energy: -19.630
flat angles C4'-P-C4' energy: -22.319
flat angles P-C4'-P energy: -22.436
tors. eta vs tors. theta energy: -27.504
Dist. restrs. and SS energy: 0.742 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -313.026907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.026907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.197381 (E_RNA)
where:
Base-Base interactions energy: -206.979
where: short stacking energy: -80.416
Base-Backbone interact. energy: 1.669
local terms energy: -107.887852
where:
bonds (distance) C4'-P energy: -21.752
bonds (distance) P-C4' energy: -25.404
flat angles C4'-P-C4' energy: -29.994
flat angles P-C4'-P energy: -14.170
tors. eta vs tors. theta energy: -16.568
Dist. restrs. and SS energy: 0.170 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -437.042990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.042990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.242974 (E_RNA)
where:
Base-Base interactions energy: -307.142
where: short stacking energy: -109.107
Base-Backbone interact. energy: -0.570
local terms energy: -129.531454
where:
bonds (distance) C4'-P energy: -27.346
bonds (distance) P-C4' energy: -26.251
flat angles C4'-P-C4' energy: -28.741
flat angles P-C4'-P energy: -19.232
tors. eta vs tors. theta energy: -27.961
Dist. restrs. and SS energy: 0.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -411.796318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.796318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.817070 (E_RNA)
where:
Base-Base interactions energy: -280.916
where: short stacking energy: -123.322
Base-Backbone interact. energy: -0.261
local terms energy: -130.640377
where:
bonds (distance) C4'-P energy: -27.083
bonds (distance) P-C4' energy: -22.694
flat angles C4'-P-C4' energy: -28.159
flat angles P-C4'-P energy: -21.427
tors. eta vs tors. theta energy: -31.277
Dist. restrs. and SS energy: 0.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -404.367052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.367052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.406749 (E_RNA)
where:
Base-Base interactions energy: -274.414
where: short stacking energy: -104.642
Base-Backbone interact. energy: -1.289
local terms energy: -128.704234
where:
bonds (distance) C4'-P energy: -27.728
bonds (distance) P-C4' energy: -29.798
flat angles C4'-P-C4' energy: -28.223
flat angles P-C4'-P energy: -13.421
tors. eta vs tors. theta energy: -29.533
Dist. restrs. and SS energy: 0.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -392.083428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.083428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.407159 (E_RNA)
where:
Base-Base interactions energy: -267.053
where: short stacking energy: -114.451
Base-Backbone interact. energy: -1.654
local terms energy: -123.700803
where:
bonds (distance) C4'-P energy: -23.828
bonds (distance) P-C4' energy: -21.536
flat angles C4'-P-C4' energy: -31.303
flat angles P-C4'-P energy: -13.052
tors. eta vs tors. theta energy: -33.981
Dist. restrs. and SS energy: 0.324 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -384.204370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.204370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.658499 (E_RNA)
where:
Base-Base interactions energy: -260.548
where: short stacking energy: -115.107
Base-Backbone interact. energy: -0.849
local terms energy: -123.261774
where:
bonds (distance) C4'-P energy: -21.665
bonds (distance) P-C4' energy: -24.354
flat angles C4'-P-C4' energy: -29.646
flat angles P-C4'-P energy: -16.362
tors. eta vs tors. theta energy: -31.234
Dist. restrs. and SS energy: 0.454 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -377.931848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.931848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.240469 (E_RNA)
where:
Base-Base interactions energy: -253.776
where: short stacking energy: -109.315
Base-Backbone interact. energy: -0.859
local terms energy: -123.606307
where:
bonds (distance) C4'-P energy: -23.901
bonds (distance) P-C4' energy: -24.343
flat angles C4'-P-C4' energy: -28.638
flat angles P-C4'-P energy: -15.566
tors. eta vs tors. theta energy: -31.158
Dist. restrs. and SS energy: 0.309 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -343.060488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.060488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.594392 (E_RNA)
where:
Base-Base interactions energy: -233.395
where: short stacking energy: -96.581
Base-Backbone interact. energy: -0.937
local terms energy: -109.262999
where:
bonds (distance) C4'-P energy: -23.219
bonds (distance) P-C4' energy: -24.994
flat angles C4'-P-C4' energy: -19.683
flat angles P-C4'-P energy: -14.523
tors. eta vs tors. theta energy: -26.844
Dist. restrs. and SS energy: 0.534 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -354.890103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.890103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.309292 (E_RNA)
where:
Base-Base interactions energy: -235.364
where: short stacking energy: -101.303
Base-Backbone interact. energy: 0.788
local terms energy: -120.733338
where:
bonds (distance) C4'-P energy: -28.072
bonds (distance) P-C4' energy: -28.477
flat angles C4'-P-C4' energy: -19.907
flat angles P-C4'-P energy: -21.612
tors. eta vs tors. theta energy: -22.665
Dist. restrs. and SS energy: 0.419 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -311.645433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.645433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.058464 (E_RNA)
where:
Base-Base interactions energy: -211.692
where: short stacking energy: -83.717
Base-Backbone interact. energy: -0.469
local terms energy: -99.897657
where:
bonds (distance) C4'-P energy: -24.903
bonds (distance) P-C4' energy: -28.557
flat angles C4'-P-C4' energy: -18.411
flat angles P-C4'-P energy: -9.120
tors. eta vs tors. theta energy: -18.905
Dist. restrs. and SS energy: 0.413 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -325.353358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.353358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.723256 (E_RNA)
where:
Base-Base interactions energy: -225.650
where: short stacking energy: -81.503
Base-Backbone interact. energy: -0.422
local terms energy: -99.652050
where:
bonds (distance) C4'-P energy: -17.127
bonds (distance) P-C4' energy: -28.327
flat angles C4'-P-C4' energy: -20.021
flat angles P-C4'-P energy: -14.300
tors. eta vs tors. theta energy: -19.878
Dist. restrs. and SS energy: 0.370 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -439.856310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.856310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.668485 (E_RNA)
where:
Base-Base interactions energy: -306.683
where: short stacking energy: -110.083
Base-Backbone interact. energy: -0.903
local terms energy: -133.082595
where:
bonds (distance) C4'-P energy: -26.903
bonds (distance) P-C4' energy: -27.731
flat angles C4'-P-C4' energy: -26.198
flat angles P-C4'-P energy: -18.108
tors. eta vs tors. theta energy: -34.142
Dist. restrs. and SS energy: 0.812 (S_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: 182
Temperature: 0.950000
Total energy: -413.822286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.822286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.009360 (E_RNA)
where:
Base-Base interactions energy: -268.316
where: short stacking energy: -111.602
Base-Backbone interact. energy: -0.509
local terms energy: -145.184245
where:
bonds (distance) C4'-P energy: -32.653
bonds (distance) P-C4' energy: -28.943
flat angles C4'-P-C4' energy: -30.421
flat angles P-C4'-P energy: -20.766
tors. eta vs tors. theta energy: -32.401
Dist. restrs. and SS energy: 0.187 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -395.648468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.648468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.913275 (E_RNA)
where:
Base-Base interactions energy: -272.558
where: short stacking energy: -114.504
Base-Backbone interact. energy: -0.592
local terms energy: -122.763402
where:
bonds (distance) C4'-P energy: -23.162
bonds (distance) P-C4' energy: -20.580
flat angles C4'-P-C4' energy: -26.457
flat angles P-C4'-P energy: -22.416
tors. eta vs tors. theta energy: -30.147
Dist. restrs. and SS energy: 0.265 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -396.428503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.428503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.833130 (E_RNA)
where:
Base-Base interactions energy: -274.821
where: short stacking energy: -112.540
Base-Backbone interact. energy: -1.338
local terms energy: -120.674934
where:
bonds (distance) C4'-P energy: -20.793
bonds (distance) P-C4' energy: -21.574
flat angles C4'-P-C4' energy: -31.304
flat angles P-C4'-P energy: -18.468
tors. eta vs tors. theta energy: -28.536
Dist. restrs. and SS energy: 0.405 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -387.911512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.911512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.069651 (E_RNA)
where:
Base-Base interactions energy: -263.794
where: short stacking energy: -109.775
Base-Backbone interact. energy: 1.465
local terms energy: -125.741001
where:
bonds (distance) C4'-P energy: -29.072
bonds (distance) P-C4' energy: -19.849
flat angles C4'-P-C4' energy: -28.710
flat angles P-C4'-P energy: -15.161
tors. eta vs tors. theta energy: -32.948
Dist. restrs. and SS energy: 0.158 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -362.255820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.255820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.445721 (E_RNA)
where:
Base-Base interactions energy: -249.291
where: short stacking energy: -101.179
Base-Backbone interact. energy: -0.180
local terms energy: -112.975321
where:
bonds (distance) C4'-P energy: -22.479
bonds (distance) P-C4' energy: -23.821
flat angles C4'-P-C4' energy: -27.122
flat angles P-C4'-P energy: -8.956
tors. eta vs tors. theta energy: -30.597
Dist. restrs. and SS energy: 0.190 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -357.818130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.818130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.895329 (E_RNA)
where:
Base-Base interactions energy: -230.230
where: short stacking energy: -85.286
Base-Backbone interact. energy: 0.530
local terms energy: -128.195604
where:
bonds (distance) C4'-P energy: -29.612
bonds (distance) P-C4' energy: -24.834
flat angles C4'-P-C4' energy: -26.213
flat angles P-C4'-P energy: -17.292
tors. eta vs tors. theta energy: -30.245
Dist. restrs. and SS energy: 0.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -346.542768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.542768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.824750 (E_RNA)
where:
Base-Base interactions energy: -248.244
where: short stacking energy: -96.838
Base-Backbone interact. energy: 2.584
local terms energy: -101.165266
where:
bonds (distance) C4'-P energy: -18.061
bonds (distance) P-C4' energy: -24.396
flat angles C4'-P-C4' energy: -24.902
flat angles P-C4'-P energy: -9.595
tors. eta vs tors. theta energy: -24.211
Dist. restrs. and SS energy: 0.282 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -330.003368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.003368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.131901 (E_RNA)
where:
Base-Base interactions energy: -215.793
where: short stacking energy: -77.888
Base-Backbone interact. energy: -0.115
local terms energy: -114.223565
where:
bonds (distance) C4'-P energy: -24.296
bonds (distance) P-C4' energy: -24.408
flat angles C4'-P-C4' energy: -24.446
flat angles P-C4'-P energy: -19.812
tors. eta vs tors. theta energy: -21.261
Dist. restrs. and SS energy: 0.129 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -317.649351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.649351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.118141 (E_RNA)
where:
Base-Base interactions energy: -213.444
where: short stacking energy: -79.735
Base-Backbone interact. energy: -0.046
local terms energy: -104.627795
where:
bonds (distance) C4'-P energy: -22.437
bonds (distance) P-C4' energy: -28.112
flat angles C4'-P-C4' energy: -22.002
flat angles P-C4'-P energy: -13.089
tors. eta vs tors. theta energy: -18.988
Dist. restrs. and SS energy: 0.469 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -441.761465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.761465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.973701 (E_RNA)
where:
Base-Base interactions energy: -305.758
where: short stacking energy: -106.753
Base-Backbone interact. energy: 0.007
local terms energy: -136.222040
where:
bonds (distance) C4'-P energy: -28.493
bonds (distance) P-C4' energy: -29.930
flat angles C4'-P-C4' energy: -27.345
flat angles P-C4'-P energy: -17.447
tors. eta vs tors. theta energy: -33.007
Dist. restrs. and SS energy: 0.212 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -409.124938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.124938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.365552 (E_RNA)
where:
Base-Base interactions energy: -279.646
where: short stacking energy: -123.095
Base-Backbone interact. energy: -0.724
local terms energy: -128.995114
where:
bonds (distance) C4'-P energy: -28.729
bonds (distance) P-C4' energy: -27.154
flat angles C4'-P-C4' energy: -24.447
flat angles P-C4'-P energy: -14.113
tors. eta vs tors. theta energy: -34.552
Dist. restrs. and SS energy: 0.241 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -406.432585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.432585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.583757 (E_RNA)
where:
Base-Base interactions energy: -268.773
where: short stacking energy: -114.369
Base-Backbone interact. energy: -0.317
local terms energy: -137.492897
where:
bonds (distance) C4'-P energy: -24.430
bonds (distance) P-C4' energy: -28.754
flat angles C4'-P-C4' energy: -31.469
flat angles P-C4'-P energy: -19.462
tors. eta vs tors. theta energy: -33.379
Dist. restrs. and SS energy: 0.151 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -379.681997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.681997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.072079 (E_RNA)
where:
Base-Base interactions energy: -260.797
where: short stacking energy: -101.850
Base-Backbone interact. energy: -0.436
local terms energy: -118.839948
where:
bonds (distance) C4'-P energy: -25.969
bonds (distance) P-C4' energy: -24.870
flat angles C4'-P-C4' energy: -26.366
flat angles P-C4'-P energy: -14.875
tors. eta vs tors. theta energy: -26.760
Dist. restrs. and SS energy: 0.390 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -381.282473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.282473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.473166 (E_RNA)
where:
Base-Base interactions energy: -257.782
where: short stacking energy: -98.250
Base-Backbone interact. energy: -2.939
local terms energy: -120.752001
where:
bonds (distance) C4'-P energy: -23.303
bonds (distance) P-C4' energy: -26.920
flat angles C4'-P-C4' energy: -28.367
flat angles P-C4'-P energy: -12.442
tors. eta vs tors. theta energy: -29.719
Dist. restrs. and SS energy: 0.191 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -358.799520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.799520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.895710 (E_RNA)
where:
Base-Base interactions energy: -235.956
where: short stacking energy: -98.330
Base-Backbone interact. energy: -0.541
local terms energy: -122.399499
where:
bonds (distance) C4'-P energy: -17.454
bonds (distance) P-C4' energy: -31.955
flat angles C4'-P-C4' energy: -28.870
flat angles P-C4'-P energy: -13.830
tors. eta vs tors. theta energy: -30.291
Dist. restrs. and SS energy: 0.096 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -335.269601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.269601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.876381 (E_RNA)
where:
Base-Base interactions energy: -227.055
where: short stacking energy: -95.450
Base-Backbone interact. energy: 0.308
local terms energy: -109.129109
where:
bonds (distance) C4'-P energy: -25.512
bonds (distance) P-C4' energy: -25.797
flat angles C4'-P-C4' energy: -20.097
flat angles P-C4'-P energy: -13.991
tors. eta vs tors. theta energy: -23.732
Dist. restrs. and SS energy: 0.607 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -337.663731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.663731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.009270 (E_RNA)
where:
Base-Base interactions energy: -221.858
where: short stacking energy: -89.318
Base-Backbone interact. energy: -0.262
local terms energy: -115.889152
where:
bonds (distance) C4'-P energy: -26.197
bonds (distance) P-C4' energy: -30.698
flat angles C4'-P-C4' energy: -18.413
flat angles P-C4'-P energy: -14.974
tors. eta vs tors. theta energy: -25.608
Dist. restrs. and SS energy: 0.346 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -328.948271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.948271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.124677 (E_RNA)
where:
Base-Base interactions energy: -238.444
where: short stacking energy: -83.649
Base-Backbone interact. energy: -1.562
local terms energy: -89.118890
where:
bonds (distance) C4'-P energy: -19.610
bonds (distance) P-C4' energy: -16.825
flat angles C4'-P-C4' energy: -19.646
flat angles P-C4'-P energy: -13.977
tors. eta vs tors. theta energy: -19.061
Dist. restrs. and SS energy: 0.176 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -320.270223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.270223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.650926 (E_RNA)
where:
Base-Base interactions energy: -216.875
where: short stacking energy: -81.663
Base-Backbone interact. energy: 0.008
local terms energy: -103.783671
where:
bonds (distance) C4'-P energy: -20.986
bonds (distance) P-C4' energy: -19.931
flat angles C4'-P-C4' energy: -20.328
flat angles P-C4'-P energy: -17.001
tors. eta vs tors. theta energy: -25.539
Dist. restrs. and SS energy: 0.381 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -417.573492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.573492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.632799 (E_RNA)
where:
Base-Base interactions energy: -284.944
where: short stacking energy: -123.204
Base-Backbone interact. energy: -0.974
local terms energy: -131.714821
where:
bonds (distance) C4'-P energy: -25.662
bonds (distance) P-C4' energy: -21.820
flat angles C4'-P-C4' energy: -27.424
flat angles P-C4'-P energy: -24.057
tors. eta vs tors. theta energy: -32.751
Dist. restrs. and SS energy: 0.059 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -432.042203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.042203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.388745 (E_RNA)
where:
Base-Base interactions energy: -299.765
where: short stacking energy: -114.330
Base-Backbone interact. energy: -0.647
local terms energy: -131.975969
where:
bonds (distance) C4'-P energy: -26.768
bonds (distance) P-C4' energy: -23.959
flat angles C4'-P-C4' energy: -28.238
flat angles P-C4'-P energy: -20.737
tors. eta vs tors. theta energy: -32.273
Dist. restrs. and SS energy: 0.347 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -403.010578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.010578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.311198 (E_RNA)
where:
Base-Base interactions energy: -270.952
where: short stacking energy: -118.470
Base-Backbone interact. energy: -0.965
local terms energy: -131.393569
where:
bonds (distance) C4'-P energy: -22.014
bonds (distance) P-C4' energy: -25.044
flat angles C4'-P-C4' energy: -27.070
flat angles P-C4'-P energy: -22.588
tors. eta vs tors. theta energy: -34.679
Dist. restrs. and SS energy: 0.301 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -383.278937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.278937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.038322 (E_RNA)
where:
Base-Base interactions energy: -252.877
where: short stacking energy: -101.409
Base-Backbone interact. energy: -0.634
local terms energy: -130.527163
where:
bonds (distance) C4'-P energy: -27.132
bonds (distance) P-C4' energy: -28.992
flat angles C4'-P-C4' energy: -28.942
flat angles P-C4'-P energy: -17.595
tors. eta vs tors. theta energy: -27.866
Dist. restrs. and SS energy: 0.759 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -387.818434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.818434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.959383 (E_RNA)
where:
Base-Base interactions energy: -266.167
where: short stacking energy: -103.427
Base-Backbone interact. energy: -0.549
local terms energy: -121.243275
where:
bonds (distance) C4'-P energy: -24.556
bonds (distance) P-C4' energy: -18.408
flat angles C4'-P-C4' energy: -28.146
flat angles P-C4'-P energy: -20.392
tors. eta vs tors. theta energy: -29.742
Dist. restrs. and SS energy: 0.141 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -368.811162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.811162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.187414 (E_RNA)
where:
Base-Base interactions energy: -259.190
where: short stacking energy: -105.573
Base-Backbone interact. energy: -0.646
local terms energy: -109.350925
where:
bonds (distance) C4'-P energy: -18.434
bonds (distance) P-C4' energy: -21.891
flat angles C4'-P-C4' energy: -23.537
flat angles P-C4'-P energy: -16.528
tors. eta vs tors. theta energy: -28.961
Dist. restrs. and SS energy: 0.376 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -347.781000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.781000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.229224 (E_RNA)
where:
Base-Base interactions energy: -234.358
where: short stacking energy: -93.356
Base-Backbone interact. energy: -0.057
local terms energy: -114.814056
where:
bonds (distance) C4'-P energy: -25.318
bonds (distance) P-C4' energy: -27.668
flat angles C4'-P-C4' energy: -24.532
flat angles P-C4'-P energy: -13.796
tors. eta vs tors. theta energy: -23.501
Dist. restrs. and SS energy: 1.448 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -332.869129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.869129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.324429 (E_RNA)
where:
Base-Base interactions energy: -235.385
where: short stacking energy: -86.546
Base-Backbone interact. energy: 0.922
local terms energy: -98.861828
where:
bonds (distance) C4'-P energy: -16.421
bonds (distance) P-C4' energy: -21.516
flat angles C4'-P-C4' energy: -24.003
flat angles P-C4'-P energy: -18.964
tors. eta vs tors. theta energy: -17.958
Dist. restrs. and SS energy: 0.455 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -338.684341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.684341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.963985 (E_RNA)
where:
Base-Base interactions energy: -222.004
where: short stacking energy: -79.205
Base-Backbone interact. energy: 2.338
local terms energy: -119.297586
where:
bonds (distance) C4'-P energy: -28.605
bonds (distance) P-C4' energy: -27.006
flat angles C4'-P-C4' energy: -28.345
flat angles P-C4'-P energy: -14.330
tors. eta vs tors. theta energy: -21.012
Dist. restrs. and SS energy: 0.280 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -332.023374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.023374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.496807 (E_RNA)
where:
Base-Base interactions energy: -229.661
where: short stacking energy: -95.595
Base-Backbone interact. energy: -0.313
local terms energy: -102.523469
where:
bonds (distance) C4'-P energy: -22.261
bonds (distance) P-C4' energy: -21.038
flat angles C4'-P-C4' energy: -24.058
flat angles P-C4'-P energy: -9.110
tors. eta vs tors. theta energy: -26.057
Dist. restrs. and SS energy: 0.473 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -418.123975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.123975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.310938 (E_RNA)
where:
Base-Base interactions energy: -277.755
where: short stacking energy: -121.067
Base-Backbone interact. energy: -0.693
local terms energy: -139.862938
where:
bonds (distance) C4'-P energy: -28.952
bonds (distance) P-C4' energy: -31.020
flat angles C4'-P-C4' energy: -25.989
flat angles P-C4'-P energy: -18.863
tors. eta vs tors. theta energy: -35.039
Dist. restrs. and SS energy: 0.187 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -425.750790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.750790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.376634 (E_RNA)
where:
Base-Base interactions energy: -296.394
where: short stacking energy: -116.311
Base-Backbone interact. energy: -0.419
local terms energy: -129.564160
where:
bonds (distance) C4'-P energy: -24.923
bonds (distance) P-C4' energy: -24.585
flat angles C4'-P-C4' energy: -29.479
flat angles P-C4'-P energy: -19.425
tors. eta vs tors. theta energy: -31.151
Dist. restrs. and SS energy: 0.626 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -394.611962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.611962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.759727 (E_RNA)
where:
Base-Base interactions energy: -260.839
where: short stacking energy: -103.038
Base-Backbone interact. energy: -0.371
local terms energy: -133.549272
where:
bonds (distance) C4'-P energy: -28.870
bonds (distance) P-C4' energy: -29.969
flat angles C4'-P-C4' energy: -26.805
flat angles P-C4'-P energy: -15.632
tors. eta vs tors. theta energy: -32.274
Dist. restrs. and SS energy: 0.148 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -393.435030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.435030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.031930 (E_RNA)
where:
Base-Base interactions energy: -258.498
where: short stacking energy: -102.849
Base-Backbone interact. energy: -0.784
local terms energy: -134.750396
where:
bonds (distance) C4'-P energy: -27.650
bonds (distance) P-C4' energy: -28.766
flat angles C4'-P-C4' energy: -29.926
flat angles P-C4'-P energy: -20.337
tors. eta vs tors. theta energy: -28.070
Dist. restrs. and SS energy: 0.597 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -385.759601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.759601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.876218 (E_RNA)
where:
Base-Base interactions energy: -263.944
where: short stacking energy: -100.790
Base-Backbone interact. energy: -0.457
local terms energy: -121.475786
where:
bonds (distance) C4'-P energy: -26.401
bonds (distance) P-C4' energy: -25.448
flat angles C4'-P-C4' energy: -23.070
flat angles P-C4'-P energy: -13.582
tors. eta vs tors. theta energy: -32.975
Dist. restrs. and SS energy: 0.117 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -375.605727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.605727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.756336 (E_RNA)
where:
Base-Base interactions energy: -251.274
where: short stacking energy: -101.468
Base-Backbone interact. energy: -0.384
local terms energy: -124.097886
where:
bonds (distance) C4'-P energy: -28.772
bonds (distance) P-C4' energy: -26.590
flat angles C4'-P-C4' energy: -24.717
flat angles P-C4'-P energy: -15.910
tors. eta vs tors. theta energy: -28.109
Dist. restrs. and SS energy: 0.151 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -358.375074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.375074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.152098 (E_RNA)
where:
Base-Base interactions energy: -237.882
where: short stacking energy: -99.663
Base-Backbone interact. energy: -0.731
local terms energy: -120.538979
where:
bonds (distance) C4'-P energy: -25.148
bonds (distance) P-C4' energy: -27.350
flat angles C4'-P-C4' energy: -25.849
flat angles P-C4'-P energy: -15.115
tors. eta vs tors. theta energy: -27.077
Dist. restrs. and SS energy: 0.777 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -341.436213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.436213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.630443 (E_RNA)
where:
Base-Base interactions energy: -233.112
where: short stacking energy: -88.560
Base-Backbone interact. energy: -0.690
local terms energy: -107.828279
where:
bonds (distance) C4'-P energy: -17.034
bonds (distance) P-C4' energy: -19.070
flat angles C4'-P-C4' energy: -25.852
flat angles P-C4'-P energy: -20.776
tors. eta vs tors. theta energy: -25.097
Dist. restrs. and SS energy: 0.194 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -330.295525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.295525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.504327 (E_RNA)
where:
Base-Base interactions energy: -225.706
where: short stacking energy: -85.598
Base-Backbone interact. energy: 1.508
local terms energy: -106.306141
where:
bonds (distance) C4'-P energy: -23.124
bonds (distance) P-C4' energy: -27.272
flat angles C4'-P-C4' energy: -23.468
flat angles P-C4'-P energy: -14.553
tors. eta vs tors. theta energy: -17.889
Dist. restrs. and SS energy: 0.209 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -311.768196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.768196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.021161 (E_RNA)
where:
Base-Base interactions energy: -195.923
where: short stacking energy: -61.455
Base-Backbone interact. energy: -0.308
local terms energy: -115.790106
where:
bonds (distance) C4'-P energy: -26.668
bonds (distance) P-C4' energy: -30.992
flat angles C4'-P-C4' energy: -25.279
flat angles P-C4'-P energy: -14.043
tors. eta vs tors. theta energy: -18.808
Dist. restrs. and SS energy: 0.253 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -443.487766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.487766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.700226 (E_RNA)
where:
Base-Base interactions energy: -305.044
where: short stacking energy: -111.567
Base-Backbone interact. energy: -0.506
local terms energy: -138.150115
where:
bonds (distance) C4'-P energy: -28.641
bonds (distance) P-C4' energy: -29.849
flat angles C4'-P-C4' energy: -30.436
flat angles P-C4'-P energy: -16.138
tors. eta vs tors. theta energy: -33.086
Dist. restrs. and SS energy: 0.212 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -403.627953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.627953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.013211 (E_RNA)
where:
Base-Base interactions energy: -270.307
where: short stacking energy: -116.413
Base-Backbone interact. energy: -0.884
local terms energy: -132.821590
where:
bonds (distance) C4'-P energy: -27.189
bonds (distance) P-C4' energy: -29.503
flat angles C4'-P-C4' energy: -29.761
flat angles P-C4'-P energy: -14.852
tors. eta vs tors. theta energy: -31.516
Dist. restrs. and SS energy: 0.385 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -394.338366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.338366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.514187 (E_RNA)
where:
Base-Base interactions energy: -266.830
where: short stacking energy: -113.949
Base-Backbone interact. energy: -1.578
local terms energy: -126.106586
where:
bonds (distance) C4'-P energy: -23.650
bonds (distance) P-C4' energy: -20.619
flat angles C4'-P-C4' energy: -25.489
flat angles P-C4'-P energy: -22.121
tors. eta vs tors. theta energy: -34.226
Dist. restrs. and SS energy: 0.176 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -384.230901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.230901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.525130 (E_RNA)
where:
Base-Base interactions energy: -254.385
where: short stacking energy: -106.226
Base-Backbone interact. energy: -0.719
local terms energy: -129.421060
where:
bonds (distance) C4'-P energy: -27.250
bonds (distance) P-C4' energy: -30.817
flat angles C4'-P-C4' energy: -28.879
flat angles P-C4'-P energy: -15.626
tors. eta vs tors. theta energy: -26.849
Dist. restrs. and SS energy: 0.294 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -385.246809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.246809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.340131 (E_RNA)
where:
Base-Base interactions energy: -263.391
where: short stacking energy: -109.864
Base-Backbone interact. energy: -0.167
local terms energy: -121.781492
where:
bonds (distance) C4'-P energy: -22.955
bonds (distance) P-C4' energy: -23.986
flat angles C4'-P-C4' energy: -26.972
flat angles P-C4'-P energy: -20.279
tors. eta vs tors. theta energy: -27.590
Dist. restrs. and SS energy: 0.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -370.145331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.145331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.256468 (E_RNA)
where:
Base-Base interactions energy: -250.768
where: short stacking energy: -96.728
Base-Backbone interact. energy: -0.589
local terms energy: -118.899417
where:
bonds (distance) C4'-P energy: -27.189
bonds (distance) P-C4' energy: -23.175
flat angles C4'-P-C4' energy: -24.444
flat angles P-C4'-P energy: -16.600
tors. eta vs tors. theta energy: -27.492
Dist. restrs. and SS energy: 0.111 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -347.802270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.802270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.994084 (E_RNA)
where:
Base-Base interactions energy: -236.261
where: short stacking energy: -89.282
Base-Backbone interact. energy: -0.601
local terms energy: -111.132263
where:
bonds (distance) C4'-P energy: -25.102
bonds (distance) P-C4' energy: -21.603
flat angles C4'-P-C4' energy: -26.641
flat angles P-C4'-P energy: -15.859
tors. eta vs tors. theta energy: -21.928
Dist. restrs. and SS energy: 0.192 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -358.321110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.321110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.560780 (E_RNA)
where:
Base-Base interactions energy: -251.095
where: short stacking energy: -91.094
Base-Backbone interact. energy: -0.809
local terms energy: -106.656706
where:
bonds (distance) C4'-P energy: -18.135
bonds (distance) P-C4' energy: -24.780
flat angles C4'-P-C4' energy: -24.841
flat angles P-C4'-P energy: -13.742
tors. eta vs tors. theta energy: -25.158
Dist. restrs. and SS energy: 0.240 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -313.477701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.477701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.763585 (E_RNA)
where:
Base-Base interactions energy: -209.972
where: short stacking energy: -83.785
Base-Backbone interact. energy: -0.253
local terms energy: -103.537758
where:
bonds (distance) C4'-P energy: -16.277
bonds (distance) P-C4' energy: -23.331
flat angles C4'-P-C4' energy: -25.637
flat angles P-C4'-P energy: -20.503
tors. eta vs tors. theta energy: -17.789
Dist. restrs. and SS energy: 0.286 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -302.769047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.769047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.706230 (E_RNA)
where:
Base-Base interactions energy: -207.369
where: short stacking energy: -76.519
Base-Backbone interact. energy: 0.738
local terms energy: -97.075487
where:
bonds (distance) C4'-P energy: -19.002
bonds (distance) P-C4' energy: -25.532
flat angles C4'-P-C4' energy: -26.526
flat angles P-C4'-P energy: -6.876
tors. eta vs tors. theta energy: -19.140
Dist. restrs. and SS energy: 0.937 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -449.132100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.132100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.475298 (E_RNA)
where:
Base-Base interactions energy: -308.460
where: short stacking energy: -112.390
Base-Backbone interact. energy: 1.168
local terms energy: -142.182941
where:
bonds (distance) C4'-P energy: -29.211
bonds (distance) P-C4' energy: -28.454
flat angles C4'-P-C4' energy: -31.657
flat angles P-C4'-P energy: -19.490
tors. eta vs tors. theta energy: -33.370
Dist. restrs. and SS energy: 0.343 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -416.299467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.299467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.559039 (E_RNA)
where:
Base-Base interactions energy: -281.447
where: short stacking energy: -116.209
Base-Backbone interact. energy: -1.096
local terms energy: -134.015701
where:
bonds (distance) C4'-P energy: -21.650
bonds (distance) P-C4' energy: -27.105
flat angles C4'-P-C4' energy: -28.914
flat angles P-C4'-P energy: -21.488
tors. eta vs tors. theta energy: -34.858
Dist. restrs. and SS energy: 0.260 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -383.857527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.857527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.919951 (E_RNA)
where:
Base-Base interactions energy: -250.591
where: short stacking energy: -105.833
Base-Backbone interact. energy: -0.229
local terms energy: -133.100234
where:
bonds (distance) C4'-P energy: -26.611
bonds (distance) P-C4' energy: -28.172
flat angles C4'-P-C4' energy: -26.908
flat angles P-C4'-P energy: -21.174
tors. eta vs tors. theta energy: -30.236
Dist. restrs. and SS energy: 0.062 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -375.841475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.841475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.910363 (E_RNA)
where:
Base-Base interactions energy: -262.339
where: short stacking energy: -107.850
Base-Backbone interact. energy: 0.668
local terms energy: -114.239293
where:
bonds (distance) C4'-P energy: -19.536
bonds (distance) P-C4' energy: -26.024
flat angles C4'-P-C4' energy: -29.635
flat angles P-C4'-P energy: -11.203
tors. eta vs tors. theta energy: -27.842
Dist. restrs. and SS energy: 0.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -386.277969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.277969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.594839 (E_RNA)
where:
Base-Base interactions energy: -264.053
where: short stacking energy: -102.767
Base-Backbone interact. energy: -0.930
local terms energy: -121.611890
where:
bonds (distance) C4'-P energy: -27.454
bonds (distance) P-C4' energy: -25.827
flat angles C4'-P-C4' energy: -24.456
flat angles P-C4'-P energy: -18.164
tors. eta vs tors. theta energy: -25.711
Dist. restrs. and SS energy: 0.317 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -378.251265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.251265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.296383 (E_RNA)
where:
Base-Base interactions energy: -259.971
where: short stacking energy: -112.699
Base-Backbone interact. energy: -0.342
local terms energy: -117.982685
where:
bonds (distance) C4'-P energy: -17.071
bonds (distance) P-C4' energy: -22.991
flat angles C4'-P-C4' energy: -25.844
flat angles P-C4'-P energy: -16.463
tors. eta vs tors. theta energy: -35.613
Dist. restrs. and SS energy: 0.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -341.108123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.108123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.277068 (E_RNA)
where:
Base-Base interactions energy: -224.544
where: short stacking energy: -85.496
Base-Backbone interact. energy: -0.611
local terms energy: -116.122852
where:
bonds (distance) C4'-P energy: -27.207
bonds (distance) P-C4' energy: -24.338
flat angles C4'-P-C4' energy: -24.575
flat angles P-C4'-P energy: -15.609
tors. eta vs tors. theta energy: -24.395
Dist. restrs. and SS energy: 0.169 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -353.067605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.067605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.345498 (E_RNA)
where:
Base-Base interactions energy: -236.384
where: short stacking energy: -94.453
Base-Backbone interact. energy: -0.435
local terms energy: -116.526135
where:
bonds (distance) C4'-P energy: -19.742
bonds (distance) P-C4' energy: -24.803
flat angles C4'-P-C4' energy: -25.832
flat angles P-C4'-P energy: -22.677
tors. eta vs tors. theta energy: -23.473
Dist. restrs. and SS energy: 0.278 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -319.277726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.277726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.541205 (E_RNA)
where:
Base-Base interactions energy: -212.175
where: short stacking energy: -79.469
Base-Backbone interact. energy: -0.080
local terms energy: -107.285556
where:
bonds (distance) C4'-P energy: -16.399
bonds (distance) P-C4' energy: -23.158
flat angles C4'-P-C4' energy: -27.870
flat angles P-C4'-P energy: -15.397
tors. eta vs tors. theta energy: -24.461
Dist. restrs. and SS energy: 0.263 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -337.007848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.007848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.824094 (E_RNA)
where:
Base-Base interactions energy: -235.464
where: short stacking energy: -93.828
Base-Backbone interact. energy: 0.336
local terms energy: -102.697039
where:
bonds (distance) C4'-P energy: -17.953
bonds (distance) P-C4' energy: -24.023
flat angles C4'-P-C4' energy: -20.963
flat angles P-C4'-P energy: -12.393
tors. eta vs tors. theta energy: -27.365
Dist. restrs. and SS energy: 0.816 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -425.117247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.117247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.440123 (E_RNA)
where:
Base-Base interactions energy: -302.478
where: short stacking energy: -108.795
Base-Backbone interact. energy: -0.313
local terms energy: -122.648499
where:
bonds (distance) C4'-P energy: -23.924
bonds (distance) P-C4' energy: -25.950
flat angles C4'-P-C4' energy: -27.569
flat angles P-C4'-P energy: -15.697
tors. eta vs tors. theta energy: -29.508
Dist. restrs. and SS energy: 0.323 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -404.299584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.299584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.364745 (E_RNA)
where:
Base-Base interactions energy: -269.209
where: short stacking energy: -110.348
Base-Backbone interact. energy: 1.074
local terms energy: -136.229531
where:
bonds (distance) C4'-P energy: -30.067
bonds (distance) P-C4' energy: -29.055
flat angles C4'-P-C4' energy: -25.232
flat angles P-C4'-P energy: -21.180
tors. eta vs tors. theta energy: -30.695
Dist. restrs. and SS energy: 0.065 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -378.642824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.642824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.853627 (E_RNA)
where:
Base-Base interactions energy: -242.199
where: short stacking energy: -100.138
Base-Backbone interact. energy: -0.744
local terms energy: -135.910530
where:
bonds (distance) C4'-P energy: -26.336
bonds (distance) P-C4' energy: -32.452
flat angles C4'-P-C4' energy: -28.152
flat angles P-C4'-P energy: -21.237
tors. eta vs tors. theta energy: -27.734
Dist. restrs. and SS energy: 0.211 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -390.729911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.729911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.938105 (E_RNA)
where:
Base-Base interactions energy: -272.134
where: short stacking energy: -110.459
Base-Backbone interact. energy: 0.472
local terms energy: -119.275692
where:
bonds (distance) C4'-P energy: -25.594
bonds (distance) P-C4' energy: -22.545
flat angles C4'-P-C4' energy: -23.720
flat angles P-C4'-P energy: -15.437
tors. eta vs tors. theta energy: -31.978
Dist. restrs. and SS energy: 0.208 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -369.140427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.140427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.728639 (E_RNA)
where:
Base-Base interactions energy: -250.488
where: short stacking energy: -108.533
Base-Backbone interact. energy: -0.422
local terms energy: -118.818278
where:
bonds (distance) C4'-P energy: -24.110
bonds (distance) P-C4' energy: -22.652
flat angles C4'-P-C4' energy: -21.981
flat angles P-C4'-P energy: -18.954
tors. eta vs tors. theta energy: -31.121
Dist. restrs. and SS energy: 0.588 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -362.258275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.258275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.689802 (E_RNA)
where:
Base-Base interactions energy: -241.468
where: short stacking energy: -93.506
Base-Backbone interact. energy: -2.359
local terms energy: -118.862824
where:
bonds (distance) C4'-P energy: -21.886
bonds (distance) P-C4' energy: -24.991
flat angles C4'-P-C4' energy: -27.463
flat angles P-C4'-P energy: -20.033
tors. eta vs tors. theta energy: -24.489
Dist. restrs. and SS energy: 0.432 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -349.057418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.057418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.377737 (E_RNA)
where:
Base-Base interactions energy: -238.651
where: short stacking energy: -90.771
Base-Backbone interact. energy: -0.265
local terms energy: -110.462045
where:
bonds (distance) C4'-P energy: -22.072
bonds (distance) P-C4' energy: -21.713
flat angles C4'-P-C4' energy: -27.780
flat angles P-C4'-P energy: -15.199
tors. eta vs tors. theta energy: -23.698
Dist. restrs. and SS energy: 0.320 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -330.390027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.390027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.758371 (E_RNA)
where:
Base-Base interactions energy: -220.517
where: short stacking energy: -72.860
Base-Backbone interact. energy: -0.360
local terms energy: -109.881059
where:
bonds (distance) C4'-P energy: -25.000
bonds (distance) P-C4' energy: -27.542
flat angles C4'-P-C4' energy: -17.927
flat angles P-C4'-P energy: -12.543
tors. eta vs tors. theta energy: -26.869
Dist. restrs. and SS energy: 0.368 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -338.656065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.656065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.930258 (E_RNA)
where:
Base-Base interactions energy: -229.567
where: short stacking energy: -83.176
Base-Backbone interact. energy: -1.751
local terms energy: -107.611967
where:
bonds (distance) C4'-P energy: -19.638
bonds (distance) P-C4' energy: -19.588
flat angles C4'-P-C4' energy: -26.721
flat angles P-C4'-P energy: -14.103
tors. eta vs tors. theta energy: -27.562
Dist. restrs. and SS energy: 0.274 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -310.401373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.401373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.835576 (E_RNA)
where:
Base-Base interactions energy: -215.152
where: short stacking energy: -76.373
Base-Backbone interact. energy: -0.929
local terms energy: -94.754588
where:
bonds (distance) C4'-P energy: -21.464
bonds (distance) P-C4' energy: -26.032
flat angles C4'-P-C4' energy: -23.236
flat angles P-C4'-P energy: -7.363
tors. eta vs tors. theta energy: -16.660
Dist. restrs. and SS energy: 0.434 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -434.052409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.052409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.288426 (E_RNA)
where:
Base-Base interactions energy: -309.814
where: short stacking energy: -118.599
Base-Backbone interact. energy: 1.218
local terms energy: -125.692459
where:
bonds (distance) C4'-P energy: -25.678
bonds (distance) P-C4' energy: -29.297
flat angles C4'-P-C4' energy: -23.937
flat angles P-C4'-P energy: -15.250
tors. eta vs tors. theta energy: -31.531
Dist. restrs. and SS energy: 0.236 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -409.959794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.959794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.178477 (E_RNA)
where:
Base-Base interactions energy: -279.160
where: short stacking energy: -115.377
Base-Backbone interact. energy: -0.329
local terms energy: -130.689331
where:
bonds (distance) C4'-P energy: -25.542
bonds (distance) P-C4' energy: -25.840
flat angles C4'-P-C4' energy: -30.697
flat angles P-C4'-P energy: -16.921
tors. eta vs tors. theta energy: -31.691
Dist. restrs. and SS energy: 0.219 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -387.983328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.983328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.241721 (E_RNA)
where:
Base-Base interactions energy: -259.183
where: short stacking energy: -111.721
Base-Backbone interact. energy: -0.451
local terms energy: -128.607223
where:
bonds (distance) C4'-P energy: -23.713
bonds (distance) P-C4' energy: -26.107
flat angles C4'-P-C4' energy: -29.971
flat angles P-C4'-P energy: -15.244
tors. eta vs tors. theta energy: -33.571
Dist. restrs. and SS energy: 0.258 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -386.650472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.650472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.826865 (E_RNA)
where:
Base-Base interactions energy: -257.380
where: short stacking energy: -118.809
Base-Backbone interact. energy: 0.402
local terms energy: -129.848988
where:
bonds (distance) C4'-P energy: -26.125
bonds (distance) P-C4' energy: -24.001
flat angles C4'-P-C4' energy: -29.809
flat angles P-C4'-P energy: -16.899
tors. eta vs tors. theta energy: -33.015
Dist. restrs. and SS energy: 0.176 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -387.305462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.305462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.864403 (E_RNA)
where:
Base-Base interactions energy: -253.562
where: short stacking energy: -102.692
Base-Backbone interact. energy: -0.843
local terms energy: -133.459753
where:
bonds (distance) C4'-P energy: -25.087
bonds (distance) P-C4' energy: -27.710
flat angles C4'-P-C4' energy: -30.786
flat angles P-C4'-P energy: -21.749
tors. eta vs tors. theta energy: -28.128
Dist. restrs. and SS energy: 0.559 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -356.207860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.207860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.602306 (E_RNA)
where:
Base-Base interactions energy: -230.489
where: short stacking energy: -95.251
Base-Backbone interact. energy: -0.532
local terms energy: -125.581910
where:
bonds (distance) C4'-P energy: -29.649
bonds (distance) P-C4' energy: -27.520
flat angles C4'-P-C4' energy: -27.193
flat angles P-C4'-P energy: -11.387
tors. eta vs tors. theta energy: -29.833
Dist. restrs. and SS energy: 0.394 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -353.633053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.633053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.027017 (E_RNA)
where:
Base-Base interactions energy: -245.596
where: short stacking energy: -99.688
Base-Backbone interact. energy: -0.690
local terms energy: -107.741589
where:
bonds (distance) C4'-P energy: -18.776
bonds (distance) P-C4' energy: -25.863
flat angles C4'-P-C4' energy: -21.980
flat angles P-C4'-P energy: -19.044
tors. eta vs tors. theta energy: -22.079
Dist. restrs. and SS energy: 0.394 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -337.915324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.915324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.405965 (E_RNA)
where:
Base-Base interactions energy: -229.971
where: short stacking energy: -90.711
Base-Backbone interact. energy: -0.231
local terms energy: -108.204162
where:
bonds (distance) C4'-P energy: -18.917
bonds (distance) P-C4' energy: -23.773
flat angles C4'-P-C4' energy: -27.500
flat angles P-C4'-P energy: -14.074
tors. eta vs tors. theta energy: -23.941
Dist. restrs. and SS energy: 0.491 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -322.719232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.719232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.932898 (E_RNA)
where:
Base-Base interactions energy: -227.810
where: short stacking energy: -83.925
Base-Backbone interact. energy: -0.434
local terms energy: -94.688759
where:
bonds (distance) C4'-P energy: -23.997
bonds (distance) P-C4' energy: -18.723
flat angles C4'-P-C4' energy: -22.547
flat angles P-C4'-P energy: -11.167
tors. eta vs tors. theta energy: -18.254
Dist. restrs. and SS energy: 0.214 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -312.425063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.425063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.735668 (E_RNA)
where:
Base-Base interactions energy: -215.306
where: short stacking energy: -86.494
Base-Backbone interact. energy: 0.091
local terms energy: -97.520929
where:
bonds (distance) C4'-P energy: -23.184
bonds (distance) P-C4' energy: -21.906
flat angles C4'-P-C4' energy: -26.673
flat angles P-C4'-P energy: -12.408
tors. eta vs tors. theta energy: -13.350
Dist. restrs. and SS energy: 0.311 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -430.390369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.390369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.551395 (E_RNA)
where:
Base-Base interactions energy: -299.548
where: short stacking energy: -117.467
Base-Backbone interact. energy: -0.031
local terms energy: -130.971449
where:
bonds (distance) C4'-P energy: -26.841
bonds (distance) P-C4' energy: -28.126
flat angles C4'-P-C4' energy: -24.315
flat angles P-C4'-P energy: -15.965
tors. eta vs tors. theta energy: -35.724
Dist. restrs. and SS energy: 0.161 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -412.767756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.767756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.948636 (E_RNA)
where:
Base-Base interactions energy: -279.678
where: short stacking energy: -113.945
Base-Backbone interact. energy: -0.796
local terms energy: -132.474588
where:
bonds (distance) C4'-P energy: -23.965
bonds (distance) P-C4' energy: -26.480
flat angles C4'-P-C4' energy: -27.814
flat angles P-C4'-P energy: -20.739
tors. eta vs tors. theta energy: -33.476
Dist. restrs. and SS energy: 0.181 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -409.007926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.007926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.131063 (E_RNA)
where:
Base-Base interactions energy: -264.363
where: short stacking energy: -113.429
Base-Backbone interact. energy: 1.739
local terms energy: -146.507498
where:
bonds (distance) C4'-P energy: -27.148
bonds (distance) P-C4' energy: -31.147
flat angles C4'-P-C4' energy: -34.359
flat angles P-C4'-P energy: -17.698
tors. eta vs tors. theta energy: -36.155
Dist. restrs. and SS energy: 0.123 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -378.062034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.062034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.106983 (E_RNA)
where:
Base-Base interactions energy: -247.342
where: short stacking energy: -102.428
Base-Backbone interact. energy: -1.165
local terms energy: -129.599884
where:
bonds (distance) C4'-P energy: -23.012
bonds (distance) P-C4' energy: -31.487
flat angles C4'-P-C4' energy: -26.914
flat angles P-C4'-P energy: -22.121
tors. eta vs tors. theta energy: -26.066
Dist. restrs. and SS energy: 0.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -384.478394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.478394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.864200 (E_RNA)
where:
Base-Base interactions energy: -265.818
where: short stacking energy: -109.042
Base-Backbone interact. energy: 0.143
local terms energy: -119.189489
where:
bonds (distance) C4'-P energy: -22.274
bonds (distance) P-C4' energy: -20.061
flat angles C4'-P-C4' energy: -28.621
flat angles P-C4'-P energy: -19.468
tors. eta vs tors. theta energy: -28.766
Dist. restrs. and SS energy: 0.386 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -354.058871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.058871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.441213 (E_RNA)
where:
Base-Base interactions energy: -236.529
where: short stacking energy: -97.153
Base-Backbone interact. energy: -0.801
local terms energy: -117.111364
where:
bonds (distance) C4'-P energy: -22.443
bonds (distance) P-C4' energy: -25.350
flat angles C4'-P-C4' energy: -27.301
flat angles P-C4'-P energy: -14.839
tors. eta vs tors. theta energy: -27.178
Dist. restrs. and SS energy: 0.382 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -343.559800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.559800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.973657 (E_RNA)
where:
Base-Base interactions energy: -238.946
where: short stacking energy: -98.415
Base-Backbone interact. energy: -0.937
local terms energy: -104.090336
where:
bonds (distance) C4'-P energy: -15.803
bonds (distance) P-C4' energy: -25.577
flat angles C4'-P-C4' energy: -22.973
flat angles P-C4'-P energy: -14.159
tors. eta vs tors. theta energy: -25.579
Dist. restrs. and SS energy: 0.414 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -334.385961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.385961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.093169 (E_RNA)
where:
Base-Base interactions energy: -225.028
where: short stacking energy: -99.861
Base-Backbone interact. energy: -0.355
local terms energy: -109.709287
where:
bonds (distance) C4'-P energy: -26.096
bonds (distance) P-C4' energy: -23.426
flat angles C4'-P-C4' energy: -30.453
flat angles P-C4'-P energy: -7.501
tors. eta vs tors. theta energy: -22.234
Dist. restrs. and SS energy: 0.707 (S_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: 190
Temperature: 1.300000
Total energy: -331.372399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.372399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.560600 (E_RNA)
where:
Base-Base interactions energy: -215.138
where: short stacking energy: -85.691
Base-Backbone interact. energy: 1.600
local terms energy: -118.021928
where:
bonds (distance) C4'-P energy: -24.999
bonds (distance) P-C4' energy: -26.902
flat angles C4'-P-C4' energy: -19.841
flat angles P-C4'-P energy: -20.310
tors. eta vs tors. theta energy: -25.970
Dist. restrs. and SS energy: 0.188 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -308.940297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.940297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.938993 (E_RNA)
where:
Base-Base interactions energy: -205.344
where: short stacking energy: -72.457
Base-Backbone interact. energy: -1.038
local terms energy: -103.557377
where:
bonds (distance) C4'-P energy: -23.076
bonds (distance) P-C4' energy: -23.232
flat angles C4'-P-C4' energy: -22.951
flat angles P-C4'-P energy: -16.696
tors. eta vs tors. theta energy: -17.602
Dist. restrs. and SS energy: 0.999 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -440.976567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.976567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.098680 (E_RNA)
where:
Base-Base interactions energy: -302.596
where: short stacking energy: -112.092
Base-Backbone interact. energy: 0.053
local terms energy: -138.555195
where:
bonds (distance) C4'-P energy: -29.082
bonds (distance) P-C4' energy: -26.493
flat angles C4'-P-C4' energy: -29.007
flat angles P-C4'-P energy: -16.840
tors. eta vs tors. theta energy: -37.133
Dist. restrs. and SS energy: 0.122 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -417.965492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.965492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.323280 (E_RNA)
where:
Base-Base interactions energy: -278.706
where: short stacking energy: -116.953
Base-Backbone interact. energy: -0.540
local terms energy: -139.077213
where:
bonds (distance) C4'-P energy: -28.664
bonds (distance) P-C4' energy: -28.308
flat angles C4'-P-C4' energy: -25.954
flat angles P-C4'-P energy: -21.334
tors. eta vs tors. theta energy: -34.816
Dist. restrs. and SS energy: 0.358 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -392.297563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.297563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.649919 (E_RNA)
where:
Base-Base interactions energy: -258.651
where: short stacking energy: -114.828
Base-Backbone interact. energy: -0.361
local terms energy: -133.637909
where:
bonds (distance) C4'-P energy: -27.637
bonds (distance) P-C4' energy: -24.727
flat angles C4'-P-C4' energy: -32.570
flat angles P-C4'-P energy: -16.728
tors. eta vs tors. theta energy: -31.976
Dist. restrs. and SS energy: 0.352 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -395.037715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.037715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.231912 (E_RNA)
where:
Base-Base interactions energy: -265.025
where: short stacking energy: -112.902
Base-Backbone interact. energy: -0.233
local terms energy: -129.974234
where:
bonds (distance) C4'-P energy: -22.092
bonds (distance) P-C4' energy: -28.449
flat angles C4'-P-C4' energy: -29.546
flat angles P-C4'-P energy: -17.280
tors. eta vs tors. theta energy: -32.607
Dist. restrs. and SS energy: 0.194 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -366.942452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.942452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.078511 (E_RNA)
where:
Base-Base interactions energy: -251.253
where: short stacking energy: -94.503
Base-Backbone interact. energy: -1.218
local terms energy: -114.607851
where:
bonds (distance) C4'-P energy: -24.606
bonds (distance) P-C4' energy: -30.020
flat angles C4'-P-C4' energy: -19.354
flat angles P-C4'-P energy: -14.579
tors. eta vs tors. theta energy: -26.050
Dist. restrs. and SS energy: 0.136 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -375.031109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.031109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.263584 (E_RNA)
where:
Base-Base interactions energy: -261.566
where: short stacking energy: -102.302
Base-Backbone interact. energy: -0.644
local terms energy: -113.053525
where:
bonds (distance) C4'-P energy: -21.329
bonds (distance) P-C4' energy: -23.042
flat angles C4'-P-C4' energy: -27.639
flat angles P-C4'-P energy: -15.696
tors. eta vs tors. theta energy: -25.347
Dist. restrs. and SS energy: 0.232 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -350.436733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.436733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.370068 (E_RNA)
where:
Base-Base interactions energy: -246.807
where: short stacking energy: -104.394
Base-Backbone interact. energy: -0.770
local terms energy: -103.792728
where:
bonds (distance) C4'-P energy: -17.064
bonds (distance) P-C4' energy: -18.603
flat angles C4'-P-C4' energy: -24.041
flat angles P-C4'-P energy: -20.622
tors. eta vs tors. theta energy: -23.463
Dist. restrs. and SS energy: 0.933 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -334.127904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.127904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.537077 (E_RNA)
where:
Base-Base interactions energy: -224.063
where: short stacking energy: -88.442
Base-Backbone interact. energy: -0.282
local terms energy: -110.191734
where:
bonds (distance) C4'-P energy: -26.621
bonds (distance) P-C4' energy: -18.996
flat angles C4'-P-C4' energy: -24.520
flat angles P-C4'-P energy: -16.120
tors. eta vs tors. theta energy: -23.935
Dist. restrs. and SS energy: 0.409 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -313.676183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.676183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.731873 (E_RNA)
where:
Base-Base interactions energy: -218.781
where: short stacking energy: -81.801
Base-Backbone interact. energy: -1.206
local terms energy: -93.744700
where:
bonds (distance) C4'-P energy: -21.430
bonds (distance) P-C4' energy: -18.536
flat angles C4'-P-C4' energy: -24.422
flat angles P-C4'-P energy: -8.943
tors. eta vs tors. theta energy: -20.414
Dist. restrs. and SS energy: 0.056 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -291.498622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.498622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.347837 (E_RNA)
where:
Base-Base interactions energy: -196.416
where: short stacking energy: -70.871
Base-Backbone interact. energy: 1.273
local terms energy: -97.204548
where:
bonds (distance) C4'-P energy: -22.133
bonds (distance) P-C4' energy: -17.450
flat angles C4'-P-C4' energy: -23.519
flat angles P-C4'-P energy: -15.634
tors. eta vs tors. theta energy: -18.469
Dist. restrs. and SS energy: 0.849 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -442.535337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.535337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.751470 (E_RNA)
where:
Base-Base interactions energy: -309.317
where: short stacking energy: -113.912
Base-Backbone interact. energy: -0.651
local terms energy: -132.783711
where:
bonds (distance) C4'-P energy: -25.666
bonds (distance) P-C4' energy: -24.876
flat angles C4'-P-C4' energy: -30.895
flat angles P-C4'-P energy: -18.342
tors. eta vs tors. theta energy: -33.005
Dist. restrs. and SS energy: 0.216 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -418.504427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.504427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.698644 (E_RNA)
where:
Base-Base interactions energy: -280.113
where: short stacking energy: -115.742
Base-Backbone interact. energy: -1.064
local terms energy: -137.521396
where:
bonds (distance) C4'-P energy: -31.779
bonds (distance) P-C4' energy: -21.790
flat angles C4'-P-C4' energy: -28.976
flat angles P-C4'-P energy: -19.938
tors. eta vs tors. theta energy: -35.038
Dist. restrs. and SS energy: 0.194 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -393.006435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.006435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.200058 (E_RNA)
where:
Base-Base interactions energy: -265.326
where: short stacking energy: -114.192
Base-Backbone interact. energy: 0.731
local terms energy: -128.604594
where:
bonds (distance) C4'-P energy: -27.661
bonds (distance) P-C4' energy: -24.163
flat angles C4'-P-C4' energy: -28.445
flat angles P-C4'-P energy: -14.694
tors. eta vs tors. theta energy: -33.641
Dist. restrs. and SS energy: 0.194 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -372.977704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.977704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.135245 (E_RNA)
where:
Base-Base interactions energy: -255.206
where: short stacking energy: -106.115
Base-Backbone interact. energy: -0.051
local terms energy: -117.879158
where:
bonds (distance) C4'-P energy: -23.922
bonds (distance) P-C4' energy: -24.074
flat angles C4'-P-C4' energy: -24.583
flat angles P-C4'-P energy: -17.663
tors. eta vs tors. theta energy: -27.637
Dist. restrs. and SS energy: 0.158 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -371.312680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.312680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.702040 (E_RNA)
where:
Base-Base interactions energy: -251.040
where: short stacking energy: -109.615
Base-Backbone interact. energy: -0.509
local terms energy: -120.152789
where:
bonds (distance) C4'-P energy: -23.783
bonds (distance) P-C4' energy: -27.680
flat angles C4'-P-C4' energy: -24.385
flat angles P-C4'-P energy: -16.432
tors. eta vs tors. theta energy: -27.872
Dist. restrs. and SS energy: 0.389 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -370.517650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.517650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.943331 (E_RNA)
where:
Base-Base interactions energy: -248.309
where: short stacking energy: -94.573
Base-Backbone interact. energy: -0.223
local terms energy: -122.411003
where:
bonds (distance) C4'-P energy: -22.835
bonds (distance) P-C4' energy: -29.027
flat angles C4'-P-C4' energy: -27.458
flat angles P-C4'-P energy: -11.583
tors. eta vs tors. theta energy: -31.507
Dist. restrs. and SS energy: 0.426 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -341.188670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.188670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.423436 (E_RNA)
where:
Base-Base interactions energy: -234.862
where: short stacking energy: -96.518
Base-Backbone interact. energy: 0.054
local terms energy: -108.615177
where:
bonds (distance) C4'-P energy: -26.702
bonds (distance) P-C4' energy: -17.169
flat angles C4'-P-C4' energy: -22.855
flat angles P-C4'-P energy: -11.206
tors. eta vs tors. theta energy: -30.684
Dist. restrs. and SS energy: 2.235 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -345.143443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.143443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.100678 (E_RNA)
where:
Base-Base interactions energy: -233.826
where: short stacking energy: -84.750
Base-Backbone interact. energy: 1.204
local terms energy: -113.478670
where:
bonds (distance) C4'-P energy: -27.443
bonds (distance) P-C4' energy: -18.980
flat angles C4'-P-C4' energy: -25.087
flat angles P-C4'-P energy: -19.355
tors. eta vs tors. theta energy: -22.614
Dist. restrs. and SS energy: 0.957 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -318.718569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.718569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.038765 (E_RNA)
where:
Base-Base interactions energy: -208.367
where: short stacking energy: -76.383
Base-Backbone interact. energy: 1.161
local terms energy: -111.832997
where:
bonds (distance) C4'-P energy: -24.223
bonds (distance) P-C4' energy: -22.575
flat angles C4'-P-C4' energy: -25.977
flat angles P-C4'-P energy: -21.599
tors. eta vs tors. theta energy: -17.459
Dist. restrs. and SS energy: 0.320 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -318.577316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.577316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.764617 (E_RNA)
where:
Base-Base interactions energy: -217.577
where: short stacking energy: -86.630
Base-Backbone interact. energy: -1.171
local terms energy: -100.016809
where:
bonds (distance) C4'-P energy: -24.466
bonds (distance) P-C4' energy: -23.020
flat angles C4'-P-C4' energy: -19.761
flat angles P-C4'-P energy: -9.245
tors. eta vs tors. theta energy: -23.524
Dist. restrs. and SS energy: 0.187 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -455.387223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.387223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.425674 (E_RNA)
where:
Base-Base interactions energy: -311.615
where: short stacking energy: -115.439
Base-Backbone interact. energy: -0.443
local terms energy: -143.367748
where:
bonds (distance) C4'-P energy: -30.612
bonds (distance) P-C4' energy: -28.962
flat angles C4'-P-C4' energy: -30.849
flat angles P-C4'-P energy: -18.324
tors. eta vs tors. theta energy: -34.621
Dist. restrs. and SS energy: 0.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -406.892738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.892738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.078684 (E_RNA)
where:
Base-Base interactions energy: -275.205
where: short stacking energy: -115.401
Base-Backbone interact. energy: -0.234
local terms energy: -131.639505
where:
bonds (distance) C4'-P energy: -23.414
bonds (distance) P-C4' energy: -27.699
flat angles C4'-P-C4' energy: -30.413
flat angles P-C4'-P energy: -15.423
tors. eta vs tors. theta energy: -34.691
Dist. restrs. and SS energy: 0.186 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -390.822652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.822652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.969280 (E_RNA)
where:
Base-Base interactions energy: -261.609
where: short stacking energy: -101.803
Base-Backbone interact. energy: 0.092
local terms energy: -129.452280
where:
bonds (distance) C4'-P energy: -27.206
bonds (distance) P-C4' energy: -27.155
flat angles C4'-P-C4' energy: -29.817
flat angles P-C4'-P energy: -16.509
tors. eta vs tors. theta energy: -28.765
Dist. restrs. and SS energy: 0.147 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -368.804457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.804457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.083830 (E_RNA)
where:
Base-Base interactions energy: -247.087
where: short stacking energy: -105.656
Base-Backbone interact. energy: -0.095
local terms energy: -121.902287
where:
bonds (distance) C4'-P energy: -24.568
bonds (distance) P-C4' energy: -23.051
flat angles C4'-P-C4' energy: -29.152
flat angles P-C4'-P energy: -15.911
tors. eta vs tors. theta energy: -29.219
Dist. restrs. and SS energy: 0.279 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -362.901139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.901139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.944526 (E_RNA)
where:
Base-Base interactions energy: -226.751
where: short stacking energy: -96.153
Base-Backbone interact. energy: -0.796
local terms energy: -135.397298
where:
bonds (distance) C4'-P energy: -30.899
bonds (distance) P-C4' energy: -28.316
flat angles C4'-P-C4' energy: -27.887
flat angles P-C4'-P energy: -19.627
tors. eta vs tors. theta energy: -28.667
Dist. restrs. and SS energy: 0.043 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -346.050941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.050941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.634580 (E_RNA)
where:
Base-Base interactions energy: -237.663
where: short stacking energy: -87.654
Base-Backbone interact. energy: -0.494
local terms energy: -111.477121
where:
bonds (distance) C4'-P energy: -21.232
bonds (distance) P-C4' energy: -23.553
flat angles C4'-P-C4' energy: -27.263
flat angles P-C4'-P energy: -14.042
tors. eta vs tors. theta energy: -25.386
Dist. restrs. and SS energy: 3.584 (S_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: 193
Temperature: 1.200000
Total energy: -364.269848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.269848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.397474 (E_RNA)
where:
Base-Base interactions energy: -236.906
where: short stacking energy: -98.262
Base-Backbone interact. energy: 0.066
local terms energy: -127.557097
where:
bonds (distance) C4'-P energy: -20.473
bonds (distance) P-C4' energy: -28.157
flat angles C4'-P-C4' energy: -26.992
flat angles P-C4'-P energy: -21.100
tors. eta vs tors. theta energy: -30.835
Dist. restrs. and SS energy: 0.128 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -349.363667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.363667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.481804 (E_RNA)
where:
Base-Base interactions energy: -243.613
where: short stacking energy: -104.456
Base-Backbone interact. energy: -0.395
local terms energy: -105.473766
where:
bonds (distance) C4'-P energy: -19.762
bonds (distance) P-C4' energy: -22.718
flat angles C4'-P-C4' energy: -21.117
flat angles P-C4'-P energy: -15.156
tors. eta vs tors. theta energy: -26.721
Dist. restrs. and SS energy: 0.118 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -310.630276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.630276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.870769 (E_RNA)
where:
Base-Base interactions energy: -220.731
where: short stacking energy: -82.797
Base-Backbone interact. energy: 0.221
local terms energy: -90.360937
where:
bonds (distance) C4'-P energy: -20.039
bonds (distance) P-C4' energy: -22.923
flat angles C4'-P-C4' energy: -24.286
flat angles P-C4'-P energy: -11.751
tors. eta vs tors. theta energy: -11.362
Dist. restrs. and SS energy: 0.240 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -300.572055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.572055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.293179 (E_RNA)
where:
Base-Base interactions energy: -203.606
where: short stacking energy: -73.105
Base-Backbone interact. energy: -0.321
local terms energy: -97.365935
where:
bonds (distance) C4'-P energy: -24.644
bonds (distance) P-C4' energy: -29.195
flat angles C4'-P-C4' energy: -13.684
flat angles P-C4'-P energy: -13.264
tors. eta vs tors. theta energy: -16.580
Dist. restrs. and SS energy: 0.721 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -440.437962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.437962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.464312 (E_RNA)
where:
Base-Base interactions energy: -301.489
where: short stacking energy: -117.104
Base-Backbone interact. energy: -0.946
local terms energy: -138.028596
where:
bonds (distance) C4'-P energy: -24.755
bonds (distance) P-C4' energy: -26.910
flat angles C4'-P-C4' energy: -32.535
flat angles P-C4'-P energy: -21.054
tors. eta vs tors. theta energy: -32.775
Dist. restrs. and SS energy: 0.026 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -414.849529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.849529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.994301 (E_RNA)
where:
Base-Base interactions energy: -280.646
where: short stacking energy: -111.766
Base-Backbone interact. energy: -0.343
local terms energy: -134.005698
where:
bonds (distance) C4'-P energy: -27.789
bonds (distance) P-C4' energy: -27.966
flat angles C4'-P-C4' energy: -28.373
flat angles P-C4'-P energy: -18.084
tors. eta vs tors. theta energy: -31.794
Dist. restrs. and SS energy: 0.145 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -398.673686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.673686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.055381 (E_RNA)
where:
Base-Base interactions energy: -272.286
where: short stacking energy: -104.822
Base-Backbone interact. energy: -1.173
local terms energy: -125.596065
where:
bonds (distance) C4'-P energy: -23.075
bonds (distance) P-C4' energy: -29.939
flat angles C4'-P-C4' energy: -24.914
flat angles P-C4'-P energy: -16.266
tors. eta vs tors. theta energy: -31.403
Dist. restrs. and SS energy: 0.382 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -369.742840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.742840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.040101 (E_RNA)
where:
Base-Base interactions energy: -238.231
where: short stacking energy: -103.267
Base-Backbone interact. energy: -1.551
local terms energy: -130.258272
where:
bonds (distance) C4'-P energy: -28.497
bonds (distance) P-C4' energy: -20.590
flat angles C4'-P-C4' energy: -30.226
flat angles P-C4'-P energy: -23.415
tors. eta vs tors. theta energy: -27.529
Dist. restrs. and SS energy: 0.297 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -379.947555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.947555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.043593 (E_RNA)
where:
Base-Base interactions energy: -253.953
where: short stacking energy: -104.652
Base-Backbone interact. energy: -0.545
local terms energy: -125.544961
where:
bonds (distance) C4'-P energy: -25.265
bonds (distance) P-C4' energy: -24.464
flat angles C4'-P-C4' energy: -28.982
flat angles P-C4'-P energy: -16.653
tors. eta vs tors. theta energy: -30.181
Dist. restrs. and SS energy: 0.096 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -351.317598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.317598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.890695 (E_RNA)
where:
Base-Base interactions energy: -232.293
where: short stacking energy: -97.812
Base-Backbone interact. energy: -0.285
local terms energy: -121.312661
where:
bonds (distance) C4'-P energy: -22.530
bonds (distance) P-C4' energy: -22.216
flat angles C4'-P-C4' energy: -25.711
flat angles P-C4'-P energy: -20.193
tors. eta vs tors. theta energy: -30.662
Dist. restrs. and SS energy: 2.573 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -344.352274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.352274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.889383 (E_RNA)
where:
Base-Base interactions energy: -241.092
where: short stacking energy: -96.579
Base-Backbone interact. energy: -1.305
local terms energy: -102.492165
where:
bonds (distance) C4'-P energy: -20.060
bonds (distance) P-C4' energy: -25.233
flat angles C4'-P-C4' energy: -22.461
flat angles P-C4'-P energy: -10.087
tors. eta vs tors. theta energy: -24.652
Dist. restrs. and SS energy: 0.537 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -337.712318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.712318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.987442 (E_RNA)
where:
Base-Base interactions energy: -233.232
where: short stacking energy: -96.219
Base-Backbone interact. energy: -1.085
local terms energy: -103.670316
where:
bonds (distance) C4'-P energy: -20.229
bonds (distance) P-C4' energy: -18.179
flat angles C4'-P-C4' energy: -21.972
flat angles P-C4'-P energy: -17.144
tors. eta vs tors. theta energy: -26.147
Dist. restrs. and SS energy: 0.275 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -323.601671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.601671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.027695 (E_RNA)
where:
Base-Base interactions energy: -216.431
where: short stacking energy: -76.317
Base-Backbone interact. energy: -0.429
local terms energy: -107.167466
where:
bonds (distance) C4'-P energy: -28.068
bonds (distance) P-C4' energy: -21.237
flat angles C4'-P-C4' energy: -26.325
flat angles P-C4'-P energy: -6.921
tors. eta vs tors. theta energy: -24.617
Dist. restrs. and SS energy: 0.426 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -310.775234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.775234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.663322 (E_RNA)
where:
Base-Base interactions energy: -209.119
where: short stacking energy: -66.526
Base-Backbone interact. energy: -1.354
local terms energy: -101.189843
where:
bonds (distance) C4'-P energy: -23.929
bonds (distance) P-C4' energy: -25.012
flat angles C4'-P-C4' energy: -30.194
flat angles P-C4'-P energy: -10.428
tors. eta vs tors. theta energy: -11.627
Dist. restrs. and SS energy: 0.888 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -438.622765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.622765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.893246 (E_RNA)
where:
Base-Base interactions energy: -305.595
where: short stacking energy: -117.667
Base-Backbone interact. energy: -0.307
local terms energy: -132.991699
where:
bonds (distance) C4'-P energy: -23.733
bonds (distance) P-C4' energy: -27.899
flat angles C4'-P-C4' energy: -31.042
flat angles P-C4'-P energy: -18.222
tors. eta vs tors. theta energy: -32.097
Dist. restrs. and SS energy: 0.270 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -414.163686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.163686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.448262 (E_RNA)
where:
Base-Base interactions energy: -277.625
where: short stacking energy: -109.981
Base-Backbone interact. energy: -0.523
local terms energy: -136.300787
where:
bonds (distance) C4'-P energy: -29.664
bonds (distance) P-C4' energy: -26.975
flat angles C4'-P-C4' energy: -26.694
flat angles P-C4'-P energy: -17.147
tors. eta vs tors. theta energy: -35.820
Dist. restrs. and SS energy: 0.285 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -407.279251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.279251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.751650 (E_RNA)
where:
Base-Base interactions energy: -275.845
where: short stacking energy: -110.025
Base-Backbone interact. energy: -0.908
local terms energy: -130.998163
where:
bonds (distance) C4'-P energy: -29.463
bonds (distance) P-C4' energy: -26.327
flat angles C4'-P-C4' energy: -23.831
flat angles P-C4'-P energy: -17.616
tors. eta vs tors. theta energy: -33.760
Dist. restrs. and SS energy: 0.472 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -374.484544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.484544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.738464 (E_RNA)
where:
Base-Base interactions energy: -246.647
where: short stacking energy: -103.071
Base-Backbone interact. energy: 0.343
local terms energy: -128.434059
where:
bonds (distance) C4'-P energy: -24.141
bonds (distance) P-C4' energy: -28.990
flat angles C4'-P-C4' energy: -27.026
flat angles P-C4'-P energy: -20.554
tors. eta vs tors. theta energy: -27.723
Dist. restrs. and SS energy: 0.254 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -364.676369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.676369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.867871 (E_RNA)
where:
Base-Base interactions energy: -247.047
where: short stacking energy: -99.312
Base-Backbone interact. energy: -0.564
local terms energy: -117.257720
where:
bonds (distance) C4'-P energy: -22.140
bonds (distance) P-C4' energy: -24.526
flat angles C4'-P-C4' energy: -26.283
flat angles P-C4'-P energy: -15.874
tors. eta vs tors. theta energy: -28.436
Dist. restrs. and SS energy: 0.192 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -341.165731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.165731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.967286 (E_RNA)
where:
Base-Base interactions energy: -222.894
where: short stacking energy: -91.086
Base-Backbone interact. energy: -0.661
local terms energy: -120.412453
where:
bonds (distance) C4'-P energy: -21.517
bonds (distance) P-C4' energy: -27.886
flat angles C4'-P-C4' energy: -27.510
flat angles P-C4'-P energy: -13.401
tors. eta vs tors. theta energy: -30.099
Dist. restrs. and SS energy: 2.802 (S_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: 195
Temperature: 1.200000
Total energy: -335.886467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.886467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.565088 (E_RNA)
where:
Base-Base interactions energy: -224.284
where: short stacking energy: -88.385
Base-Backbone interact. energy: 1.159
local terms energy: -113.439768
where:
bonds (distance) C4'-P energy: -23.166
bonds (distance) P-C4' energy: -27.991
flat angles C4'-P-C4' energy: -18.200
flat angles P-C4'-P energy: -22.257
tors. eta vs tors. theta energy: -21.826
Dist. restrs. and SS energy: 0.679 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -325.025851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.025851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.724037 (E_RNA)
where:
Base-Base interactions energy: -217.181
where: short stacking energy: -84.810
Base-Backbone interact. energy: -0.288
local terms energy: -108.255602
where:
bonds (distance) C4'-P energy: -24.348
bonds (distance) P-C4' energy: -24.903
flat angles C4'-P-C4' energy: -28.267
flat angles P-C4'-P energy: -11.702
tors. eta vs tors. theta energy: -19.035
Dist. restrs. and SS energy: 0.698 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -353.075063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.075063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.299372 (E_RNA)
where:
Base-Base interactions energy: -251.300
where: short stacking energy: -98.210
Base-Backbone interact. energy: -0.348
local terms energy: -101.650789
where:
bonds (distance) C4'-P energy: -12.273
bonds (distance) P-C4' energy: -22.560
flat angles C4'-P-C4' energy: -23.999
flat angles P-C4'-P energy: -14.228
tors. eta vs tors. theta energy: -28.592
Dist. restrs. and SS energy: 0.224 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -312.446313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.446313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.770868 (E_RNA)
where:
Base-Base interactions energy: -199.343
where: short stacking energy: -65.144
Base-Backbone interact. energy: -0.551
local terms energy: -112.877311
where:
bonds (distance) C4'-P energy: -23.181
bonds (distance) P-C4' energy: -26.492
flat angles C4'-P-C4' energy: -26.457
flat angles P-C4'-P energy: -15.062
tors. eta vs tors. theta energy: -21.685
Dist. restrs. and SS energy: 0.325 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -432.514841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.514841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.778493 (E_RNA)
where:
Base-Base interactions energy: -302.482
where: short stacking energy: -109.311
Base-Backbone interact. energy: -0.351
local terms energy: -129.945199
where:
bonds (distance) C4'-P energy: -22.970
bonds (distance) P-C4' energy: -28.246
flat angles C4'-P-C4' energy: -31.001
flat angles P-C4'-P energy: -17.141
tors. eta vs tors. theta energy: -30.588
Dist. restrs. and SS energy: 0.264 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -407.066287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.066287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.336696 (E_RNA)
where:
Base-Base interactions energy: -267.117
where: short stacking energy: -101.773
Base-Backbone interact. energy: -0.679
local terms energy: -139.540666
where:
bonds (distance) C4'-P energy: -29.438
bonds (distance) P-C4' energy: -22.406
flat angles C4'-P-C4' energy: -30.849
flat angles P-C4'-P energy: -20.689
tors. eta vs tors. theta energy: -36.160
Dist. restrs. and SS energy: 0.270 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -384.294927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.294927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.360345 (E_RNA)
where:
Base-Base interactions energy: -251.163
where: short stacking energy: -111.891
Base-Backbone interact. energy: -0.450
local terms energy: -132.746773
where:
bonds (distance) C4'-P energy: -25.418
bonds (distance) P-C4' energy: -30.410
flat angles C4'-P-C4' energy: -28.997
flat angles P-C4'-P energy: -17.522
tors. eta vs tors. theta energy: -30.399
Dist. restrs. and SS energy: 0.065 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -379.330128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.330128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.706864 (E_RNA)
where:
Base-Base interactions energy: -246.708
where: short stacking energy: -95.577
Base-Backbone interact. energy: -0.329
local terms energy: -132.669549
where:
bonds (distance) C4'-P energy: -30.385
bonds (distance) P-C4' energy: -24.507
flat angles C4'-P-C4' energy: -27.824
flat angles P-C4'-P energy: -24.631
tors. eta vs tors. theta energy: -25.322
Dist. restrs. and SS energy: 0.377 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -362.571239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.571239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.991427 (E_RNA)
where:
Base-Base interactions energy: -239.551
where: short stacking energy: -101.487
Base-Backbone interact. energy: -0.027
local terms energy: -126.413386
where:
bonds (distance) C4'-P energy: -28.237
bonds (distance) P-C4' energy: -26.268
flat angles C4'-P-C4' energy: -23.299
flat angles P-C4'-P energy: -15.021
tors. eta vs tors. theta energy: -33.589
Dist. restrs. and SS energy: 3.420 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -379.586772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.586772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.189173 (E_RNA)
where:
Base-Base interactions energy: -256.641
where: short stacking energy: -104.960
Base-Backbone interact. energy: -2.245
local terms energy: -121.303015
where:
bonds (distance) C4'-P energy: -27.641
bonds (distance) P-C4' energy: -20.154
flat angles C4'-P-C4' energy: -28.094
flat angles P-C4'-P energy: -16.349
tors. eta vs tors. theta energy: -29.065
Dist. restrs. and SS energy: 0.602 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -347.989749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.989749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.124671 (E_RNA)
where:
Base-Base interactions energy: -236.635
where: short stacking energy: -91.149
Base-Backbone interact. energy: 0.511
local terms energy: -112.000652
where:
bonds (distance) C4'-P energy: -17.954
bonds (distance) P-C4' energy: -24.311
flat angles C4'-P-C4' energy: -24.243
flat angles P-C4'-P energy: -18.795
tors. eta vs tors. theta energy: -26.697
Dist. restrs. and SS energy: 0.135 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -336.685616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.685616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.178147 (E_RNA)
where:
Base-Base interactions energy: -234.474
where: short stacking energy: -89.765
Base-Backbone interact. energy: 3.652
local terms energy: -106.356068
where:
bonds (distance) C4'-P energy: -22.533
bonds (distance) P-C4' energy: -22.130
flat angles C4'-P-C4' energy: -21.538
flat angles P-C4'-P energy: -14.181
tors. eta vs tors. theta energy: -25.975
Dist. restrs. and SS energy: 0.493 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -318.853811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.853811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.611026 (E_RNA)
where:
Base-Base interactions energy: -219.877
where: short stacking energy: -81.084
Base-Backbone interact. energy: -1.029
local terms energy: -98.704915
where:
bonds (distance) C4'-P energy: -18.420
bonds (distance) P-C4' energy: -23.165
flat angles C4'-P-C4' energy: -22.591
flat angles P-C4'-P energy: -15.451
tors. eta vs tors. theta energy: -19.077
Dist. restrs. and SS energy: 0.757 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -348.457896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.457896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.597743 (E_RNA)
where:
Base-Base interactions energy: -232.318
where: short stacking energy: -81.713
Base-Backbone interact. energy: -0.278
local terms energy: -116.001343
where:
bonds (distance) C4'-P energy: -21.501
bonds (distance) P-C4' energy: -29.894
flat angles C4'-P-C4' energy: -26.074
flat angles P-C4'-P energy: -15.443
tors. eta vs tors. theta energy: -23.090
Dist. restrs. and SS energy: 0.140 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -445.333094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.333094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.068829 (E_RNA)
where:
Base-Base interactions energy: -305.135
where: short stacking energy: -118.639
Base-Backbone interact. energy: -0.413
local terms energy: -140.520923
where:
bonds (distance) C4'-P energy: -26.326
bonds (distance) P-C4' energy: -27.055
flat angles C4'-P-C4' energy: -29.522
flat angles P-C4'-P energy: -19.871
tors. eta vs tors. theta energy: -37.747
Dist. restrs. and SS energy: 0.736 (S_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: 197
Temperature: 0.950000
Total energy: -418.532323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.532323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.660321 (E_RNA)
where:
Base-Base interactions energy: -281.444
where: short stacking energy: -118.104
Base-Backbone interact. energy: -1.208
local terms energy: -136.008109
where:
bonds (distance) C4'-P energy: -26.316
bonds (distance) P-C4' energy: -25.842
flat angles C4'-P-C4' energy: -28.216
flat angles P-C4'-P energy: -18.141
tors. eta vs tors. theta energy: -37.493
Dist. restrs. and SS energy: 0.128 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -392.705336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.705336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.786039 (E_RNA)
where:
Base-Base interactions energy: -261.410
where: short stacking energy: -87.653
Base-Backbone interact. energy: -0.464
local terms energy: -130.911670
where:
bonds (distance) C4'-P energy: -28.783
bonds (distance) P-C4' energy: -30.591
flat angles C4'-P-C4' energy: -26.057
flat angles P-C4'-P energy: -18.168
tors. eta vs tors. theta energy: -27.314
Dist. restrs. and SS energy: 0.081 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -380.807022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.807022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.004652 (E_RNA)
where:
Base-Base interactions energy: -251.294
where: short stacking energy: -106.557
Base-Backbone interact. energy: 0.142
local terms energy: -129.853029
where:
bonds (distance) C4'-P energy: -27.998
bonds (distance) P-C4' energy: -30.382
flat angles C4'-P-C4' energy: -20.358
flat angles P-C4'-P energy: -15.539
tors. eta vs tors. theta energy: -35.576
Dist. restrs. and SS energy: 0.198 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -359.766438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.766438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.102878 (E_RNA)
where:
Base-Base interactions energy: -249.517
where: short stacking energy: -100.530
Base-Backbone interact. energy: -1.182
local terms energy: -112.404119
where:
bonds (distance) C4'-P energy: -23.055
bonds (distance) P-C4' energy: -21.957
flat angles C4'-P-C4' energy: -28.642
flat angles P-C4'-P energy: -14.929
tors. eta vs tors. theta energy: -23.820
Dist. restrs. and SS energy: 3.336 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -377.136262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.136262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.286646 (E_RNA)
where:
Base-Base interactions energy: -263.452
where: short stacking energy: -106.912
Base-Backbone interact. energy: -1.100
local terms energy: -112.734055
where:
bonds (distance) C4'-P energy: -16.009
bonds (distance) P-C4' energy: -25.257
flat angles C4'-P-C4' energy: -27.042
flat angles P-C4'-P energy: -15.167
tors. eta vs tors. theta energy: -29.259
Dist. restrs. and SS energy: 0.150 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -354.578699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.578699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.696660 (E_RNA)
where:
Base-Base interactions energy: -245.363
where: short stacking energy: -99.087
Base-Backbone interact. energy: -0.975
local terms energy: -108.358908
where:
bonds (distance) C4'-P energy: -18.309
bonds (distance) P-C4' energy: -20.409
flat angles C4'-P-C4' energy: -24.644
flat angles P-C4'-P energy: -19.612
tors. eta vs tors. theta energy: -25.385
Dist. restrs. and SS energy: 0.118 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -348.295003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.295003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.788553 (E_RNA)
where:
Base-Base interactions energy: -245.835
where: short stacking energy: -94.361
Base-Backbone interact. energy: -2.003
local terms energy: -100.949997
where:
bonds (distance) C4'-P energy: -17.431
bonds (distance) P-C4' energy: -25.985
flat angles C4'-P-C4' energy: -23.980
flat angles P-C4'-P energy: -12.920
tors. eta vs tors. theta energy: -20.633
Dist. restrs. and SS energy: 0.494 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -313.141957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.141957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.347605 (E_RNA)
where:
Base-Base interactions energy: -220.851
where: short stacking energy: -91.360
Base-Backbone interact. energy: 0.885
local terms energy: -93.381693
where:
bonds (distance) C4'-P energy: -15.489
bonds (distance) P-C4' energy: -26.276
flat angles C4'-P-C4' energy: -21.955
flat angles P-C4'-P energy: -18.068
tors. eta vs tors. theta energy: -11.594
Dist. restrs. and SS energy: 0.206 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -310.326596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.326596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.041077 (E_RNA)
where:
Base-Base interactions energy: -226.269
where: short stacking energy: -92.907
Base-Backbone interact. energy: -0.446
local terms energy: -84.325588
where:
bonds (distance) C4'-P energy: -17.935
bonds (distance) P-C4' energy: -15.857
flat angles C4'-P-C4' energy: -17.911
flat angles P-C4'-P energy: -10.593
tors. eta vs tors. theta energy: -22.031
Dist. restrs. and SS energy: 0.714 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -444.683263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.683263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.239657 (E_RNA)
where:
Base-Base interactions energy: -313.952
where: short stacking energy: -113.981
Base-Backbone interact. energy: -0.487
local terms energy: -130.799893
where:
bonds (distance) C4'-P energy: -25.458
bonds (distance) P-C4' energy: -21.948
flat angles C4'-P-C4' energy: -29.268
flat angles P-C4'-P energy: -17.111
tors. eta vs tors. theta energy: -37.015
Dist. restrs. and SS energy: 0.556 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -400.788611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.788611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.958191 (E_RNA)
where:
Base-Base interactions energy: -267.092
where: short stacking energy: -112.734
Base-Backbone interact. energy: -0.693
local terms energy: -133.173339
where:
bonds (distance) C4'-P energy: -24.941
bonds (distance) P-C4' energy: -28.542
flat angles C4'-P-C4' energy: -30.731
flat angles P-C4'-P energy: -20.600
tors. eta vs tors. theta energy: -28.359
Dist. restrs. and SS energy: 0.170 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -386.946993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.946993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.042117 (E_RNA)
where:
Base-Base interactions energy: -260.235
where: short stacking energy: -105.455
Base-Backbone interact. energy: -1.479
local terms energy: -125.327863
where:
bonds (distance) C4'-P energy: -22.835
bonds (distance) P-C4' energy: -28.269
flat angles C4'-P-C4' energy: -26.049
flat angles P-C4'-P energy: -19.566
tors. eta vs tors. theta energy: -28.608
Dist. restrs. and SS energy: 0.095 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -403.920790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.920790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.952016 (E_RNA)
where:
Base-Base interactions energy: -267.363
where: short stacking energy: -120.460
Base-Backbone interact. energy: -0.005
local terms energy: -136.584034
where:
bonds (distance) C4'-P energy: -29.185
bonds (distance) P-C4' energy: -25.039
flat angles C4'-P-C4' energy: -30.342
flat angles P-C4'-P energy: -20.702
tors. eta vs tors. theta energy: -31.317
Dist. restrs. and SS energy: 0.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -375.418880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.418880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.448589 (E_RNA)
where:
Base-Base interactions energy: -259.294
where: short stacking energy: -94.471
Base-Backbone interact. energy: -0.150
local terms energy: -116.003947
where:
bonds (distance) C4'-P energy: -27.219
bonds (distance) P-C4' energy: -22.336
flat angles C4'-P-C4' energy: -24.712
flat angles P-C4'-P energy: -17.790
tors. eta vs tors. theta energy: -23.948
Dist. restrs. and SS energy: 0.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -355.085758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.085758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.278447 (E_RNA)
where:
Base-Base interactions energy: -251.424
where: short stacking energy: -105.181
Base-Backbone interact. energy: -0.362
local terms energy: -106.493133
where:
bonds (distance) C4'-P energy: -15.560
bonds (distance) P-C4' energy: -23.405
flat angles C4'-P-C4' energy: -24.723
flat angles P-C4'-P energy: -16.192
tors. eta vs tors. theta energy: -26.613
Dist. restrs. and SS energy: 3.193 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -355.714880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.714880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.758722 (E_RNA)
where:
Base-Base interactions energy: -252.112
where: short stacking energy: -96.428
Base-Backbone interact. energy: 0.768
local terms energy: -104.414819
where:
bonds (distance) C4'-P energy: -15.154
bonds (distance) P-C4' energy: -23.520
flat angles C4'-P-C4' energy: -27.933
flat angles P-C4'-P energy: -10.971
tors. eta vs tors. theta energy: -26.837
Dist. restrs. and SS energy: 0.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -339.000488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.000488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.375127 (E_RNA)
where:
Base-Base interactions energy: -225.450
where: short stacking energy: -90.485
Base-Backbone interact. energy: -0.210
local terms energy: -113.715664
where:
bonds (distance) C4'-P energy: -18.288
bonds (distance) P-C4' energy: -25.873
flat angles C4'-P-C4' energy: -23.033
flat angles P-C4'-P energy: -17.580
tors. eta vs tors. theta energy: -28.942
Dist. restrs. and SS energy: 0.375 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -334.947523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.947523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.224881 (E_RNA)
where:
Base-Base interactions energy: -226.988
where: short stacking energy: -94.549
Base-Backbone interact. energy: -0.947
local terms energy: -107.290187
where:
bonds (distance) C4'-P energy: -22.767
bonds (distance) P-C4' energy: -22.583
flat angles C4'-P-C4' energy: -25.024
flat angles P-C4'-P energy: -13.750
tors. eta vs tors. theta energy: -23.166
Dist. restrs. and SS energy: 0.277 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -323.438721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.438721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.615124 (E_RNA)
where:
Base-Base interactions energy: -215.391
where: short stacking energy: -87.874
Base-Backbone interact. energy: -0.327
local terms energy: -107.896926
where:
bonds (distance) C4'-P energy: -20.644
bonds (distance) P-C4' energy: -22.143
flat angles C4'-P-C4' energy: -19.674
flat angles P-C4'-P energy: -17.421
tors. eta vs tors. theta energy: -28.015
Dist. restrs. and SS energy: 0.176 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -442.458369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.458369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.535208 (E_RNA)
where:
Base-Base interactions energy: -310.666
where: short stacking energy: -110.405
Base-Backbone interact. energy: -0.382
local terms energy: -131.487569
where:
bonds (distance) C4'-P energy: -23.673
bonds (distance) P-C4' energy: -30.277
flat angles C4'-P-C4' energy: -25.939
flat angles P-C4'-P energy: -17.973
tors. eta vs tors. theta energy: -33.624
Dist. restrs. and SS energy: 0.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -399.653238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.653238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.681009 (E_RNA)
where:
Base-Base interactions energy: -262.023
where: short stacking energy: -103.635
Base-Backbone interact. energy: -0.226
local terms energy: -137.431742
where:
bonds (distance) C4'-P energy: -27.657
bonds (distance) P-C4' energy: -26.423
flat angles C4'-P-C4' energy: -29.253
flat angles P-C4'-P energy: -21.809
tors. eta vs tors. theta energy: -32.291
Dist. restrs. and SS energy: 0.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -396.193698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.193698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.430475 (E_RNA)
where:
Base-Base interactions energy: -261.191
where: short stacking energy: -109.959
Base-Backbone interact. energy: -0.361
local terms energy: -134.877878
where:
bonds (distance) C4'-P energy: -24.740
bonds (distance) P-C4' energy: -31.765
flat angles C4'-P-C4' energy: -29.710
flat angles P-C4'-P energy: -18.462
tors. eta vs tors. theta energy: -30.201
Dist. restrs. and SS energy: 0.237 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -381.365433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.365433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.615454 (E_RNA)
where:
Base-Base interactions energy: -253.796
where: short stacking energy: -104.709
Base-Backbone interact. energy: -0.981
local terms energy: -126.837793
where:
bonds (distance) C4'-P energy: -27.290
bonds (distance) P-C4' energy: -23.064
flat angles C4'-P-C4' energy: -28.655
flat angles P-C4'-P energy: -15.694
tors. eta vs tors. theta energy: -32.135
Dist. restrs. and SS energy: 0.250 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -371.210873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.210873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.588946 (E_RNA)
where:
Base-Base interactions energy: -254.016
where: short stacking energy: -108.344
Base-Backbone interact. energy: 2.594
local terms energy: -120.167398
where:
bonds (distance) C4'-P energy: -25.782
bonds (distance) P-C4' energy: -23.593
flat angles C4'-P-C4' energy: -25.445
flat angles P-C4'-P energy: -15.231
tors. eta vs tors. theta energy: -30.118
Dist. restrs. and SS energy: 0.378 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -352.345230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.345230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.670240 (E_RNA)
where:
Base-Base interactions energy: -230.679
where: short stacking energy: -84.486
Base-Backbone interact. energy: -0.181
local terms energy: -121.810243
where:
bonds (distance) C4'-P energy: -21.773
bonds (distance) P-C4' energy: -26.355
flat angles C4'-P-C4' energy: -30.899
flat angles P-C4'-P energy: -14.286
tors. eta vs tors. theta energy: -28.497
Dist. restrs. and SS energy: 0.325 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -353.433905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.433905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.514059 (E_RNA)
where:
Base-Base interactions energy: -248.325
where: short stacking energy: -100.805
Base-Backbone interact. energy: 0.041
local terms energy: -108.230735
where:
bonds (distance) C4'-P energy: -23.284
bonds (distance) P-C4' energy: -20.981
flat angles C4'-P-C4' energy: -23.914
flat angles P-C4'-P energy: -9.961
tors. eta vs tors. theta energy: -30.090
Dist. restrs. and SS energy: 3.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -338.571321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.571321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.975753 (E_RNA)
where:
Base-Base interactions energy: -222.884
where: short stacking energy: -83.885
Base-Backbone interact. energy: -1.407
local terms energy: -114.685192
where:
bonds (distance) C4'-P energy: -26.790
bonds (distance) P-C4' energy: -26.756
flat angles C4'-P-C4' energy: -25.467
flat angles P-C4'-P energy: -10.862
tors. eta vs tors. theta energy: -24.810
Dist. restrs. and SS energy: 0.404 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -332.917137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.917137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.044087 (E_RNA)
where:
Base-Base interactions energy: -229.144
where: short stacking energy: -89.778
Base-Backbone interact. energy: -0.161
local terms energy: -103.738818
where:
bonds (distance) C4'-P energy: -22.425
bonds (distance) P-C4' energy: -19.928
flat angles C4'-P-C4' energy: -25.457
flat angles P-C4'-P energy: -16.412
tors. eta vs tors. theta energy: -19.516
Dist. restrs. and SS energy: 0.127 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -305.298501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.298501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.922386 (E_RNA)
where:
Base-Base interactions energy: -203.638
where: short stacking energy: -81.170
Base-Backbone interact. energy: 0.476
local terms energy: -102.759774
where:
bonds (distance) C4'-P energy: -27.889
bonds (distance) P-C4' energy: -21.365
flat angles C4'-P-C4' energy: -19.346
flat angles P-C4'-P energy: -13.545
tors. eta vs tors. theta energy: -20.615
Dist. restrs. and SS energy: 0.624 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -439.856185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.856185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.957241 (E_RNA)
where:
Base-Base interactions energy: -307.775
where: short stacking energy: -111.102
Base-Backbone interact. energy: 0.347
local terms energy: -132.530012
where:
bonds (distance) C4'-P energy: -25.102
bonds (distance) P-C4' energy: -27.958
flat angles C4'-P-C4' energy: -28.542
flat angles P-C4'-P energy: -16.927
tors. eta vs tors. theta energy: -34.001
Dist. restrs. and SS energy: 0.101 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -403.928138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.928138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.989107 (E_RNA)
where:
Base-Base interactions energy: -273.192
where: short stacking energy: -121.417
Base-Backbone interact. energy: -0.633
local terms energy: -130.164314
where:
bonds (distance) C4'-P energy: -26.760
bonds (distance) P-C4' energy: -23.288
flat angles C4'-P-C4' energy: -27.641
flat angles P-C4'-P energy: -18.056
tors. eta vs tors. theta energy: -34.420
Dist. restrs. and SS energy: 0.061 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -399.701284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.701284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.835062 (E_RNA)
where:
Base-Base interactions energy: -259.661
where: short stacking energy: -106.662
Base-Backbone interact. energy: -1.408
local terms energy: -138.766594
where:
bonds (distance) C4'-P energy: -29.202
bonds (distance) P-C4' energy: -27.186
flat angles C4'-P-C4' energy: -29.220
flat angles P-C4'-P energy: -21.447
tors. eta vs tors. theta energy: -31.712
Dist. restrs. and SS energy: 0.134 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -384.269304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.269304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.301489 (E_RNA)
where:
Base-Base interactions energy: -265.600
where: short stacking energy: -109.784
Base-Backbone interact. energy: 0.333
local terms energy: -119.035056
where:
bonds (distance) C4'-P energy: -24.105
bonds (distance) P-C4' energy: -20.280
flat angles C4'-P-C4' energy: -23.977
flat angles P-C4'-P energy: -19.576
tors. eta vs tors. theta energy: -31.097
Dist. restrs. and SS energy: 0.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -379.714485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.714485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.964987 (E_RNA)
where:
Base-Base interactions energy: -253.551
where: short stacking energy: -110.656
Base-Backbone interact. energy: -0.443
local terms energy: -125.971077
where:
bonds (distance) C4'-P energy: -25.103
bonds (distance) P-C4' energy: -23.025
flat angles C4'-P-C4' energy: -26.482
flat angles P-C4'-P energy: -18.493
tors. eta vs tors. theta energy: -32.868
Dist. restrs. and SS energy: 0.251 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -360.183883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.183883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.736280 (E_RNA)
where:
Base-Base interactions energy: -230.727
where: short stacking energy: -96.178
Base-Backbone interact. energy: -0.309
local terms energy: -129.700350
where:
bonds (distance) C4'-P energy: -25.452
bonds (distance) P-C4' energy: -28.584
flat angles C4'-P-C4' energy: -27.853
flat angles P-C4'-P energy: -19.942
tors. eta vs tors. theta energy: -27.870
Dist. restrs. and SS energy: 0.552 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -328.811356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.811356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.102908 (E_RNA)
where:
Base-Base interactions energy: -213.743
where: short stacking energy: -76.827
Base-Backbone interact. energy: -0.347
local terms energy: -115.012994
where:
bonds (distance) C4'-P energy: -29.803
bonds (distance) P-C4' energy: -28.785
flat angles C4'-P-C4' energy: -24.338
flat angles P-C4'-P energy: -15.773
tors. eta vs tors. theta energy: -16.315
Dist. restrs. and SS energy: 0.292 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -340.468941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.468941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.488489 (E_RNA)
where:
Base-Base interactions energy: -241.446
where: short stacking energy: -94.699
Base-Backbone interact. energy: 2.717
local terms energy: -101.759192
where:
bonds (distance) C4'-P energy: -18.452
bonds (distance) P-C4' energy: -22.163
flat angles C4'-P-C4' energy: -23.519
flat angles P-C4'-P energy: -11.835
tors. eta vs tors. theta energy: -25.790
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -320.493667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.493667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.090400 (E_RNA)
where:
Base-Base interactions energy: -212.181
where: short stacking energy: -91.126
Base-Backbone interact. energy: -0.181
local terms energy: -108.728220
where:
bonds (distance) C4'-P energy: -23.025
bonds (distance) P-C4' energy: -19.461
flat angles C4'-P-C4' energy: -28.561
flat angles P-C4'-P energy: -16.785
tors. eta vs tors. theta energy: -20.897
Dist. restrs. and SS energy: 0.597 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -320.936032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.936032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.128111 (E_RNA)
where:
Base-Base interactions energy: -218.583
where: short stacking energy: -87.093
Base-Backbone interact. energy: 1.186
local terms energy: -103.731107
where:
bonds (distance) C4'-P energy: -24.648
bonds (distance) P-C4' energy: -19.927
flat angles C4'-P-C4' energy: -25.547
flat angles P-C4'-P energy: -13.171
tors. eta vs tors. theta energy: -20.437
Dist. restrs. and SS energy: 0.192 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -445.068089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.068089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.224300 (E_RNA)
where:
Base-Base interactions energy: -310.693
where: short stacking energy: -118.023
Base-Backbone interact. energy: -0.249
local terms energy: -134.282594
where:
bonds (distance) C4'-P energy: -17.445
bonds (distance) P-C4' energy: -31.561
flat angles C4'-P-C4' energy: -32.723
flat angles P-C4'-P energy: -18.940
tors. eta vs tors. theta energy: -33.613
Dist. restrs. and SS energy: 0.156 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -414.478806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.478806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.504982 (E_RNA)
where:
Base-Base interactions energy: -282.588
where: short stacking energy: -115.855
Base-Backbone interact. energy: 0.137
local terms energy: -132.053699
where:
bonds (distance) C4'-P energy: -25.270
bonds (distance) P-C4' energy: -29.985
flat angles C4'-P-C4' energy: -28.024
flat angles P-C4'-P energy: -15.760
tors. eta vs tors. theta energy: -33.016
Dist. restrs. and SS energy: 0.026 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -398.439203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.439203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.519621 (E_RNA)
where:
Base-Base interactions energy: -262.828
where: short stacking energy: -107.347
Base-Backbone interact. energy: 0.707
local terms energy: -136.398418
where:
bonds (distance) C4'-P energy: -26.724
bonds (distance) P-C4' energy: -27.474
flat angles C4'-P-C4' energy: -31.392
flat angles P-C4'-P energy: -19.782
tors. eta vs tors. theta energy: -31.027
Dist. restrs. and SS energy: 0.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -382.020039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.020039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.405103 (E_RNA)
where:
Base-Base interactions energy: -258.510
where: short stacking energy: -95.828
Base-Backbone interact. energy: -0.321
local terms energy: -123.573905
where:
bonds (distance) C4'-P energy: -25.923
bonds (distance) P-C4' energy: -24.826
flat angles C4'-P-C4' energy: -22.491
flat angles P-C4'-P energy: -17.482
tors. eta vs tors. theta energy: -32.853
Dist. restrs. and SS energy: 0.385 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -372.677215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.677215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.091764 (E_RNA)
where:
Base-Base interactions energy: -255.195
where: short stacking energy: -102.472
Base-Backbone interact. energy: 0.284
local terms energy: -118.180052
where:
bonds (distance) C4'-P energy: -25.148
bonds (distance) P-C4' energy: -23.237
flat angles C4'-P-C4' energy: -23.436
flat angles P-C4'-P energy: -16.101
tors. eta vs tors. theta energy: -30.259
Dist. restrs. and SS energy: 0.415 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -353.661072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.661072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.037956 (E_RNA)
where:
Base-Base interactions energy: -231.218
where: short stacking energy: -92.666
Base-Backbone interact. energy: -0.656
local terms energy: -122.163849
where:
bonds (distance) C4'-P energy: -29.898
bonds (distance) P-C4' energy: -26.258
flat angles C4'-P-C4' energy: -27.579
flat angles P-C4'-P energy: -15.536
tors. eta vs tors. theta energy: -22.894
Dist. restrs. and SS energy: 0.377 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -348.981290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.981290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.457518 (E_RNA)
where:
Base-Base interactions energy: -234.485
where: short stacking energy: -91.396
Base-Backbone interact. energy: -0.569
local terms energy: -114.404004
where:
bonds (distance) C4'-P energy: -25.074
bonds (distance) P-C4' energy: -25.160
flat angles C4'-P-C4' energy: -28.426
flat angles P-C4'-P energy: -10.584
tors. eta vs tors. theta energy: -25.159
Dist. restrs. and SS energy: 0.476 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -324.835103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.835103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.876257 (E_RNA)
where:
Base-Base interactions energy: -232.785
where: short stacking energy: -85.605
Base-Backbone interact. energy: 2.226
local terms energy: -94.317679
where:
bonds (distance) C4'-P energy: -15.616
bonds (distance) P-C4' energy: -24.912
flat angles C4'-P-C4' energy: -17.120
flat angles P-C4'-P energy: -15.340
tors. eta vs tors. theta energy: -21.330
Dist. restrs. and SS energy: 0.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -344.029408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.029408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.388175 (E_RNA)
where:
Base-Base interactions energy: -234.234
where: short stacking energy: -104.226
Base-Backbone interact. energy: 0.262
local terms energy: -110.415900
where:
bonds (distance) C4'-P energy: -24.446
bonds (distance) P-C4' energy: -24.136
flat angles C4'-P-C4' energy: -23.232
flat angles P-C4'-P energy: -13.398
tors. eta vs tors. theta energy: -25.204
Dist. restrs. and SS energy: 0.359 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -303.283609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.283609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.684065 (E_RNA)
where:
Base-Base interactions energy: -211.391
where: short stacking energy: -85.947
Base-Backbone interact. energy: 1.105
local terms energy: -93.398356
where:
bonds (distance) C4'-P energy: -19.357
bonds (distance) P-C4' energy: -25.875
flat angles C4'-P-C4' energy: -23.460
flat angles P-C4'-P energy: -3.244
tors. eta vs tors. theta energy: -21.462
Dist. restrs. and SS energy: 0.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -440.703562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.703562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.725578 (E_RNA)
where:
Base-Base interactions energy: -299.473
where: short stacking energy: -120.472
Base-Backbone interact. energy: -0.818
local terms energy: -140.434061
where:
bonds (distance) C4'-P energy: -22.938
bonds (distance) P-C4' energy: -32.263
flat angles C4'-P-C4' energy: -28.512
flat angles P-C4'-P energy: -21.274
tors. eta vs tors. theta energy: -35.447
Dist. restrs. and SS energy: 0.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -409.247250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.247250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.454203 (E_RNA)
where:
Base-Base interactions energy: -283.913
where: short stacking energy: -111.625
Base-Backbone interact. energy: -0.349
local terms energy: -125.192392
where:
bonds (distance) C4'-P energy: -22.230
bonds (distance) P-C4' energy: -30.343
flat angles C4'-P-C4' energy: -30.706
flat angles P-C4'-P energy: -11.391
tors. eta vs tors. theta energy: -30.523
Dist. restrs. and SS energy: 0.207 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -381.916629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.916629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.087078 (E_RNA)
where:
Base-Base interactions energy: -252.118
where: short stacking energy: -102.099
Base-Backbone interact. energy: 0.396
local terms energy: -130.365300
where:
bonds (distance) C4'-P energy: -26.858
bonds (distance) P-C4' energy: -25.229
flat angles C4'-P-C4' energy: -31.158
flat angles P-C4'-P energy: -16.452
tors. eta vs tors. theta energy: -30.669
Dist. restrs. and SS energy: 0.170 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -382.719186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.719186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.037717 (E_RNA)
where:
Base-Base interactions energy: -251.034
where: short stacking energy: -101.685
Base-Backbone interact. energy: -0.310
local terms energy: -131.693329
where:
bonds (distance) C4'-P energy: -29.830
bonds (distance) P-C4' energy: -29.679
flat angles C4'-P-C4' energy: -26.380
flat angles P-C4'-P energy: -15.775
tors. eta vs tors. theta energy: -30.029
Dist. restrs. and SS energy: 0.319 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -371.287699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.287699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.057950 (E_RNA)
where:
Base-Base interactions energy: -242.980
where: short stacking energy: -111.176
Base-Backbone interact. energy: -0.404
local terms energy: -128.673892
where:
bonds (distance) C4'-P energy: -24.297
bonds (distance) P-C4' energy: -29.338
flat angles C4'-P-C4' energy: -28.521
flat angles P-C4'-P energy: -15.642
tors. eta vs tors. theta energy: -30.875
Dist. restrs. and SS energy: 0.770 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -368.688975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.688975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.996284 (E_RNA)
where:
Base-Base interactions energy: -237.540
where: short stacking energy: -95.385
Base-Backbone interact. energy: -0.266
local terms energy: -131.190561
where:
bonds (distance) C4'-P energy: -23.683
bonds (distance) P-C4' energy: -26.722
flat angles C4'-P-C4' energy: -26.380
flat angles P-C4'-P energy: -24.052
tors. eta vs tors. theta energy: -30.353
Dist. restrs. and SS energy: 0.307 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -338.420944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.420944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.643730 (E_RNA)
where:
Base-Base interactions energy: -228.675
where: short stacking energy: -88.640
Base-Backbone interact. energy: -1.245
local terms energy: -108.723323
where:
bonds (distance) C4'-P energy: -25.384
bonds (distance) P-C4' energy: -26.243
flat angles C4'-P-C4' energy: -23.399
flat angles P-C4'-P energy: -10.910
tors. eta vs tors. theta energy: -22.787
Dist. restrs. and SS energy: 0.223 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -334.504570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.504570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.601308 (E_RNA)
where:
Base-Base interactions energy: -219.068
where: short stacking energy: -80.379
Base-Backbone interact. energy: -2.753
local terms energy: -112.779790
where:
bonds (distance) C4'-P energy: -26.407
bonds (distance) P-C4' energy: -21.497
flat angles C4'-P-C4' energy: -27.358
flat angles P-C4'-P energy: -17.104
tors. eta vs tors. theta energy: -20.414
Dist. restrs. and SS energy: 0.097 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -348.139914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.139914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.205176 (E_RNA)
where:
Base-Base interactions energy: -230.249
where: short stacking energy: -95.270
Base-Backbone interact. energy: -0.917
local terms energy: -117.038746
where:
bonds (distance) C4'-P energy: -21.600
bonds (distance) P-C4' energy: -24.496
flat angles C4'-P-C4' energy: -30.597
flat angles P-C4'-P energy: -14.607
tors. eta vs tors. theta energy: -25.738
Dist. restrs. and SS energy: 0.065 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -319.034531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.034531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.521992 (E_RNA)
where:
Base-Base interactions energy: -217.243
where: short stacking energy: -86.133
Base-Backbone interact. energy: -0.075
local terms energy: -102.204218
where:
bonds (distance) C4'-P energy: -21.527
bonds (distance) P-C4' energy: -23.990
flat angles C4'-P-C4' energy: -27.174
flat angles P-C4'-P energy: -12.000
tors. eta vs tors. theta energy: -17.513
Dist. restrs. and SS energy: 0.487 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -453.674127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.674127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.678233 (E_RNA)
where:
Base-Base interactions energy: -314.190
where: short stacking energy: -122.971
Base-Backbone interact. energy: -0.472
local terms energy: -139.016313
where:
bonds (distance) C4'-P energy: -25.282
bonds (distance) P-C4' energy: -25.754
flat angles C4'-P-C4' energy: -31.466
flat angles P-C4'-P energy: -19.318
tors. eta vs tors. theta energy: -37.195
Dist. restrs. and SS energy: 0.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -403.047563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.047563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.182162 (E_RNA)
where:
Base-Base interactions energy: -261.500
where: short stacking energy: -109.940
Base-Backbone interact. energy: -1.220
local terms energy: -140.461903
where:
bonds (distance) C4'-P energy: -25.923
bonds (distance) P-C4' energy: -30.270
flat angles C4'-P-C4' energy: -33.798
flat angles P-C4'-P energy: -18.366
tors. eta vs tors. theta energy: -32.106
Dist. restrs. and SS energy: 0.135 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -388.722200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.722200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.924103 (E_RNA)
where:
Base-Base interactions energy: -263.375
where: short stacking energy: -110.747
Base-Backbone interact. energy: -0.067
local terms energy: -125.482504
where:
bonds (distance) C4'-P energy: -29.446
bonds (distance) P-C4' energy: -18.797
flat angles C4'-P-C4' energy: -29.378
flat angles P-C4'-P energy: -20.661
tors. eta vs tors. theta energy: -27.201
Dist. restrs. and SS energy: 0.202 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -374.512920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.512920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.697775 (E_RNA)
where:
Base-Base interactions energy: -247.779
where: short stacking energy: -98.950
Base-Backbone interact. energy: 0.304
local terms energy: -127.222988
where:
bonds (distance) C4'-P energy: -30.677
bonds (distance) P-C4' energy: -27.131
flat angles C4'-P-C4' energy: -23.662
flat angles P-C4'-P energy: -19.122
tors. eta vs tors. theta energy: -26.630
Dist. restrs. and SS energy: 0.185 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -390.132832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.132832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.319041 (E_RNA)
where:
Base-Base interactions energy: -262.787
where: short stacking energy: -116.595
Base-Backbone interact. energy: -0.223
local terms energy: -127.308601
where:
bonds (distance) C4'-P energy: -24.099
bonds (distance) P-C4' energy: -21.639
flat angles C4'-P-C4' energy: -28.705
flat angles P-C4'-P energy: -20.437
tors. eta vs tors. theta energy: -32.428
Dist. restrs. and SS energy: 0.186 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -368.793808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.793808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.959362 (E_RNA)
where:
Base-Base interactions energy: -245.418
where: short stacking energy: -96.275
Base-Backbone interact. energy: 0.764
local terms energy: -124.305487
where:
bonds (distance) C4'-P energy: -29.372
bonds (distance) P-C4' energy: -25.990
flat angles C4'-P-C4' energy: -29.506
flat angles P-C4'-P energy: -12.617
tors. eta vs tors. theta energy: -26.821
Dist. restrs. and SS energy: 0.166 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -356.629061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.629061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.744738 (E_RNA)
where:
Base-Base interactions energy: -235.960
where: short stacking energy: -99.043
Base-Backbone interact. energy: -0.635
local terms energy: -120.149156
where:
bonds (distance) C4'-P energy: -25.823
bonds (distance) P-C4' energy: -20.689
flat angles C4'-P-C4' energy: -25.551
flat angles P-C4'-P energy: -16.036
tors. eta vs tors. theta energy: -32.051
Dist. restrs. and SS energy: 0.116 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -362.536747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.536747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.772082 (E_RNA)
where:
Base-Base interactions energy: -247.302
where: short stacking energy: -101.431
Base-Backbone interact. energy: -0.564
local terms energy: -114.905888
where:
bonds (distance) C4'-P energy: -22.822
bonds (distance) P-C4' energy: -26.563
flat angles C4'-P-C4' energy: -21.833
flat angles P-C4'-P energy: -17.063
tors. eta vs tors. theta energy: -26.625
Dist. restrs. and SS energy: 0.235 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -322.527286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.527286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.794155 (E_RNA)
where:
Base-Base interactions energy: -218.270
where: short stacking energy: -85.058
Base-Backbone interact. energy: -1.284
local terms energy: -103.240418
where:
bonds (distance) C4'-P energy: -19.583
bonds (distance) P-C4' energy: -18.487
flat angles C4'-P-C4' energy: -25.314
flat angles P-C4'-P energy: -15.739
tors. eta vs tors. theta energy: -24.116
Dist. restrs. and SS energy: 0.267 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -310.039741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.039741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.663357 (E_RNA)
where:
Base-Base interactions energy: -207.698
where: short stacking energy: -73.724
Base-Backbone interact. energy: -0.025
local terms energy: -102.940309
where:
bonds (distance) C4'-P energy: -17.526
bonds (distance) P-C4' energy: -22.654
flat angles C4'-P-C4' energy: -29.533
flat angles P-C4'-P energy: -13.024
tors. eta vs tors. theta energy: -20.203
Dist. restrs. and SS energy: 0.624 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -457.135334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.135334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.277696 (E_RNA)
where:
Base-Base interactions energy: -310.695
where: short stacking energy: -113.614
Base-Backbone interact. energy: -0.477
local terms energy: -146.105924
where:
bonds (distance) C4'-P energy: -33.381
bonds (distance) P-C4' energy: -31.583
flat angles C4'-P-C4' energy: -29.300
flat angles P-C4'-P energy: -13.826
tors. eta vs tors. theta energy: -38.015
Dist. restrs. and SS energy: 0.142 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -391.754999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.754999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.826078 (E_RNA)
where:
Base-Base interactions energy: -258.904
where: short stacking energy: -111.705
Base-Backbone interact. energy: -0.266
local terms energy: -132.656196
where:
bonds (distance) C4'-P energy: -25.477
bonds (distance) P-C4' energy: -28.984
flat angles C4'-P-C4' energy: -26.800
flat angles P-C4'-P energy: -20.739
tors. eta vs tors. theta energy: -30.656
Dist. restrs. and SS energy: 0.071 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -384.654203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.654203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.882227 (E_RNA)
where:
Base-Base interactions energy: -258.039
where: short stacking energy: -105.727
Base-Backbone interact. energy: -0.653
local terms energy: -126.190606
where:
bonds (distance) C4'-P energy: -27.044
bonds (distance) P-C4' energy: -21.806
flat angles C4'-P-C4' energy: -29.229
flat angles P-C4'-P energy: -21.073
tors. eta vs tors. theta energy: -27.038
Dist. restrs. and SS energy: 0.228 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -373.910031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.910031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.070297 (E_RNA)
where:
Base-Base interactions energy: -245.436
where: short stacking energy: -93.138
Base-Backbone interact. energy: -0.562
local terms energy: -128.072150
where:
bonds (distance) C4'-P energy: -22.177
bonds (distance) P-C4' energy: -30.544
flat angles C4'-P-C4' energy: -28.293
flat angles P-C4'-P energy: -20.591
tors. eta vs tors. theta energy: -26.466
Dist. restrs. and SS energy: 0.160 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -377.605800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.605800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.744619 (E_RNA)
where:
Base-Base interactions energy: -255.462
where: short stacking energy: -113.106
Base-Backbone interact. energy: -0.084
local terms energy: -122.198731
where:
bonds (distance) C4'-P energy: -21.181
bonds (distance) P-C4' energy: -18.336
flat angles C4'-P-C4' energy: -32.049
flat angles P-C4'-P energy: -18.957
tors. eta vs tors. theta energy: -31.676
Dist. restrs. and SS energy: 0.139 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -363.912227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.912227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.455561 (E_RNA)
where:
Base-Base interactions energy: -250.148
where: short stacking energy: -104.134
Base-Backbone interact. energy: -0.838
local terms energy: -113.469659
where:
bonds (distance) C4'-P energy: -18.865
bonds (distance) P-C4' energy: -21.309
flat angles C4'-P-C4' energy: -25.070
flat angles P-C4'-P energy: -15.179
tors. eta vs tors. theta energy: -33.047
Dist. restrs. and SS energy: 0.543 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -357.719649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.719649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.135003 (E_RNA)
where:
Base-Base interactions energy: -247.431
where: short stacking energy: -91.405
Base-Backbone interact. energy: -0.499
local terms energy: -110.204652
where:
bonds (distance) C4'-P energy: -24.648
bonds (distance) P-C4' energy: -28.612
flat angles C4'-P-C4' energy: -22.560
flat angles P-C4'-P energy: -14.138
tors. eta vs tors. theta energy: -20.247
Dist. restrs. and SS energy: 0.415 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -341.242022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.242022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.423589 (E_RNA)
where:
Base-Base interactions energy: -241.544
where: short stacking energy: -95.345
Base-Backbone interact. energy: -0.666
local terms energy: -99.213916
where:
bonds (distance) C4'-P energy: -21.108
bonds (distance) P-C4' energy: -15.535
flat angles C4'-P-C4' energy: -21.496
flat angles P-C4'-P energy: -13.324
tors. eta vs tors. theta energy: -27.752
Dist. restrs. and SS energy: 0.182 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -314.170432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.170432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.526831 (E_RNA)
where:
Base-Base interactions energy: -205.925
where: short stacking energy: -75.257
Base-Backbone interact. energy: -1.128
local terms energy: -107.473792
where:
bonds (distance) C4'-P energy: -22.156
bonds (distance) P-C4' energy: -24.993
flat angles C4'-P-C4' energy: -25.908
flat angles P-C4'-P energy: -18.160
tors. eta vs tors. theta energy: -16.257
Dist. restrs. and SS energy: 0.356 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -311.516900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.516900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.657230 (E_RNA)
where:
Base-Base interactions energy: -214.174
where: short stacking energy: -77.197
Base-Backbone interact. energy: -0.766
local terms energy: -98.716606
where:
bonds (distance) C4'-P energy: -16.405
bonds (distance) P-C4' energy: -26.647
flat angles C4'-P-C4' energy: -17.306
flat angles P-C4'-P energy: -13.548
tors. eta vs tors. theta energy: -24.810
Dist. restrs. and SS energy: 2.140 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -436.648789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.648789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.755316 (E_RNA)
where:
Base-Base interactions energy: -306.681
where: short stacking energy: -114.314
Base-Backbone interact. energy: 0.107
local terms energy: -130.181618
where:
bonds (distance) C4'-P energy: -26.808
bonds (distance) P-C4' energy: -27.861
flat angles C4'-P-C4' energy: -25.624
flat angles P-C4'-P energy: -17.552
tors. eta vs tors. theta energy: -32.336
Dist. restrs. and SS energy: 0.107 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -403.452457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.452457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.590337 (E_RNA)
where:
Base-Base interactions energy: -268.555
where: short stacking energy: -115.817
Base-Backbone interact. energy: -0.322
local terms energy: -134.713328
where:
bonds (distance) C4'-P energy: -28.104
bonds (distance) P-C4' energy: -27.723
flat angles C4'-P-C4' energy: -30.562
flat angles P-C4'-P energy: -15.690
tors. eta vs tors. theta energy: -32.635
Dist. restrs. and SS energy: 0.138 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -397.902905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.902905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.043577 (E_RNA)
where:
Base-Base interactions energy: -271.796
where: short stacking energy: -115.641
Base-Backbone interact. energy: -0.307
local terms energy: -125.940070
where:
bonds (distance) C4'-P energy: -24.333
bonds (distance) P-C4' energy: -27.408
flat angles C4'-P-C4' energy: -26.734
flat angles P-C4'-P energy: -18.542
tors. eta vs tors. theta energy: -28.923
Dist. restrs. and SS energy: 0.141 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -396.479956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.479956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.856077 (E_RNA)
where:
Base-Base interactions energy: -265.584
where: short stacking energy: -112.160
Base-Backbone interact. energy: 0.263
local terms energy: -131.534918
where:
bonds (distance) C4'-P energy: -24.353
bonds (distance) P-C4' energy: -28.502
flat angles C4'-P-C4' energy: -31.996
flat angles P-C4'-P energy: -17.942
tors. eta vs tors. theta energy: -28.742
Dist. restrs. and SS energy: 0.376 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -368.868151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.868151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.909316 (E_RNA)
where:
Base-Base interactions energy: -250.286
where: short stacking energy: -101.898
Base-Backbone interact. energy: -0.339
local terms energy: -119.284946
where:
bonds (distance) C4'-P energy: -23.926
bonds (distance) P-C4' energy: -24.008
flat angles C4'-P-C4' energy: -27.500
flat angles P-C4'-P energy: -15.591
tors. eta vs tors. theta energy: -28.260
Dist. restrs. and SS energy: 1.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -364.033899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.033899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.390808 (E_RNA)
where:
Base-Base interactions energy: -246.020
where: short stacking energy: -102.934
Base-Backbone interact. energy: -0.529
local terms energy: -117.842051
where:
bonds (distance) C4'-P energy: -27.973
bonds (distance) P-C4' energy: -26.929
flat angles C4'-P-C4' energy: -21.808
flat angles P-C4'-P energy: -14.372
tors. eta vs tors. theta energy: -26.760
Dist. restrs. and SS energy: 0.357 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -357.707293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.707293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.082805 (E_RNA)
where:
Base-Base interactions energy: -245.846
where: short stacking energy: -91.144
Base-Backbone interact. energy: -0.083
local terms energy: -112.153944
where:
bonds (distance) C4'-P energy: -23.169
bonds (distance) P-C4' energy: -22.999
flat angles C4'-P-C4' energy: -26.256
flat angles P-C4'-P energy: -15.954
tors. eta vs tors. theta energy: -23.776
Dist. restrs. and SS energy: 0.376 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -340.725409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.725409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.159831 (E_RNA)
where:
Base-Base interactions energy: -225.898
where: short stacking energy: -89.944
Base-Backbone interact. energy: -0.465
local terms energy: -114.796238
where:
bonds (distance) C4'-P energy: -23.088
bonds (distance) P-C4' energy: -25.484
flat angles C4'-P-C4' energy: -23.503
flat angles P-C4'-P energy: -18.878
tors. eta vs tors. theta energy: -23.843
Dist. restrs. and SS energy: 0.434 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -326.368059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.368059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.531852 (E_RNA)
where:
Base-Base interactions energy: -219.958
where: short stacking energy: -84.323
Base-Backbone interact. energy: 1.052
local terms energy: -107.626070
where:
bonds (distance) C4'-P energy: -25.079
bonds (distance) P-C4' energy: -22.642
flat angles C4'-P-C4' energy: -20.277
flat angles P-C4'-P energy: -19.136
tors. eta vs tors. theta energy: -20.492
Dist. restrs. and SS energy: 0.164 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -320.577339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.577339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.421939 (E_RNA)
where:
Base-Base interactions energy: -215.035
where: short stacking energy: -79.516
Base-Backbone interact. energy: -0.278
local terms energy: -106.108062
where:
bonds (distance) C4'-P energy: -30.129
bonds (distance) P-C4' energy: -21.747
flat angles C4'-P-C4' energy: -21.993
flat angles P-C4'-P energy: -11.476
tors. eta vs tors. theta energy: -20.763
Dist. restrs. and SS energy: 0.845 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -440.642678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.642678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.708578 (E_RNA)
where:
Base-Base interactions energy: -303.447
where: short stacking energy: -120.422
Base-Backbone interact. energy: -0.423
local terms energy: -136.838124
where:
bonds (distance) C4'-P energy: -26.155
bonds (distance) P-C4' energy: -26.149
flat angles C4'-P-C4' energy: -28.373
flat angles P-C4'-P energy: -21.391
tors. eta vs tors. theta energy: -34.770
Dist. restrs. and SS energy: 0.066 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -403.702884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.702884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.959406 (E_RNA)
where:
Base-Base interactions energy: -272.248
where: short stacking energy: -105.166
Base-Backbone interact. energy: -0.400
local terms energy: -131.311152
where:
bonds (distance) C4'-P energy: -24.627
bonds (distance) P-C4' energy: -24.482
flat angles C4'-P-C4' energy: -32.887
flat angles P-C4'-P energy: -23.605
tors. eta vs tors. theta energy: -25.710
Dist. restrs. and SS energy: 0.257 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -412.006688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.006688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.272278 (E_RNA)
where:
Base-Base interactions energy: -276.415
where: short stacking energy: -111.989
Base-Backbone interact. energy: -0.663
local terms energy: -135.194071
where:
bonds (distance) C4'-P energy: -28.755
bonds (distance) P-C4' energy: -28.230
flat angles C4'-P-C4' energy: -28.841
flat angles P-C4'-P energy: -17.354
tors. eta vs tors. theta energy: -32.015
Dist. restrs. and SS energy: 0.266 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -379.055562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.055562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.572996 (E_RNA)
where:
Base-Base interactions energy: -259.162
where: short stacking energy: -103.396
Base-Backbone interact. energy: -1.765
local terms energy: -118.646049
where:
bonds (distance) C4'-P energy: -21.895
bonds (distance) P-C4' energy: -28.609
flat angles C4'-P-C4' energy: -28.087
flat angles P-C4'-P energy: -14.670
tors. eta vs tors. theta energy: -25.384
Dist. restrs. and SS energy: 0.517 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -376.293367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.293367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.548358 (E_RNA)
where:
Base-Base interactions energy: -258.921
where: short stacking energy: -104.621
Base-Backbone interact. energy: -0.359
local terms energy: -117.268505
where:
bonds (distance) C4'-P energy: -24.802
bonds (distance) P-C4' energy: -27.282
flat angles C4'-P-C4' energy: -22.167
flat angles P-C4'-P energy: -12.353
tors. eta vs tors. theta energy: -30.665
Dist. restrs. and SS energy: 0.255 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -356.077887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.077887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.456453 (E_RNA)
where:
Base-Base interactions energy: -242.379
where: short stacking energy: -92.278
Base-Backbone interact. energy: -0.985
local terms energy: -113.091971
where:
bonds (distance) C4'-P energy: -21.025
bonds (distance) P-C4' energy: -25.543
flat angles C4'-P-C4' energy: -28.238
flat angles P-C4'-P energy: -15.999
tors. eta vs tors. theta energy: -22.287
Dist. restrs. and SS energy: 0.379 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -355.190195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.190195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.588436 (E_RNA)
where:
Base-Base interactions energy: -232.097
where: short stacking energy: -92.671
Base-Backbone interact. energy: -1.325
local terms energy: -122.166475
where:
bonds (distance) C4'-P energy: -26.303
bonds (distance) P-C4' energy: -27.746
flat angles C4'-P-C4' energy: -24.645
flat angles P-C4'-P energy: -19.401
tors. eta vs tors. theta energy: -24.071
Dist. restrs. and SS energy: 0.398 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -350.201945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.201945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.613073 (E_RNA)
where:
Base-Base interactions energy: -238.169
where: short stacking energy: -105.949
Base-Backbone interact. energy: -0.121
local terms energy: -112.323910
where:
bonds (distance) C4'-P energy: -18.604
bonds (distance) P-C4' energy: -28.095
flat angles C4'-P-C4' energy: -23.104
flat angles P-C4'-P energy: -12.325
tors. eta vs tors. theta energy: -30.196
Dist. restrs. and SS energy: 0.411 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -333.828900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.828900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.983824 (E_RNA)
where:
Base-Base interactions energy: -215.444
where: short stacking energy: -85.141
Base-Backbone interact. energy: -0.639
local terms energy: -117.900668
where:
bonds (distance) C4'-P energy: -26.908
bonds (distance) P-C4' energy: -25.091
flat angles C4'-P-C4' energy: -28.743
flat angles P-C4'-P energy: -13.113
tors. eta vs tors. theta energy: -24.045
Dist. restrs. and SS energy: 0.155 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -306.955322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.955322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.393436 (E_RNA)
where:
Base-Base interactions energy: -204.146
where: short stacking energy: -77.578
Base-Backbone interact. energy: 0.085
local terms energy: -103.332863
where:
bonds (distance) C4'-P energy: -25.593
bonds (distance) P-C4' energy: -22.820
flat angles C4'-P-C4' energy: -20.008
flat angles P-C4'-P energy: -18.534
tors. eta vs tors. theta energy: -16.378
Dist. restrs. and SS energy: 0.438 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -442.294125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.294125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.665082 (E_RNA)
where:
Base-Base interactions energy: -307.681
where: short stacking energy: -120.404
Base-Backbone interact. energy: -0.455
local terms energy: -134.529171
where:
bonds (distance) C4'-P energy: -31.210
bonds (distance) P-C4' energy: -29.495
flat angles C4'-P-C4' energy: -30.235
flat angles P-C4'-P energy: -10.597
tors. eta vs tors. theta energy: -32.993
Dist. restrs. and SS energy: 0.371 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -408.277406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.277406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.392237 (E_RNA)
where:
Base-Base interactions energy: -276.204
where: short stacking energy: -103.720
Base-Backbone interact. energy: -0.742
local terms energy: -131.446623
where:
bonds (distance) C4'-P energy: -28.576
bonds (distance) P-C4' energy: -27.934
flat angles C4'-P-C4' energy: -23.791
flat angles P-C4'-P energy: -19.148
tors. eta vs tors. theta energy: -31.998
Dist. restrs. and SS energy: 0.115 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -404.173784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.173784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.213464 (E_RNA)
where:
Base-Base interactions energy: -275.873
where: short stacking energy: -104.323
Base-Backbone interact. energy: -3.227
local terms energy: -125.112985
where:
bonds (distance) C4'-P energy: -25.481
bonds (distance) P-C4' energy: -30.786
flat angles C4'-P-C4' energy: -24.946
flat angles P-C4'-P energy: -17.189
tors. eta vs tors. theta energy: -26.712
Dist. restrs. and SS energy: 0.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -384.379284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.379284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.570165 (E_RNA)
where:
Base-Base interactions energy: -263.107
where: short stacking energy: -106.942
Base-Backbone interact. energy: -0.205
local terms energy: -121.257266
where:
bonds (distance) C4'-P energy: -26.919
bonds (distance) P-C4' energy: -22.115
flat angles C4'-P-C4' energy: -24.457
flat angles P-C4'-P energy: -16.378
tors. eta vs tors. theta energy: -31.388
Dist. restrs. and SS energy: 0.191 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -362.627213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.627213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.649391 (E_RNA)
where:
Base-Base interactions energy: -236.930
where: short stacking energy: -95.229
Base-Backbone interact. energy: -0.652
local terms energy: -125.067089
where:
bonds (distance) C4'-P energy: -25.485
bonds (distance) P-C4' energy: -30.610
flat angles C4'-P-C4' energy: -22.494
flat angles P-C4'-P energy: -15.614
tors. eta vs tors. theta energy: -30.864
Dist. restrs. and SS energy: 0.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -369.416064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.416064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.804217 (E_RNA)
where:
Base-Base interactions energy: -244.611
where: short stacking energy: -103.157
Base-Backbone interact. energy: -0.941
local terms energy: -124.252159
where:
bonds (distance) C4'-P energy: -22.515
bonds (distance) P-C4' energy: -33.641
flat angles C4'-P-C4' energy: -22.596
flat angles P-C4'-P energy: -15.970
tors. eta vs tors. theta energy: -29.529
Dist. restrs. and SS energy: 0.388 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -352.894755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.894755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.471731 (E_RNA)
where:
Base-Base interactions energy: -241.612
where: short stacking energy: -100.243
Base-Backbone interact. energy: -1.161
local terms energy: -110.698999
where:
bonds (distance) C4'-P energy: -25.689
bonds (distance) P-C4' energy: -19.864
flat angles C4'-P-C4' energy: -24.967
flat angles P-C4'-P energy: -9.494
tors. eta vs tors. theta energy: -30.685
Dist. restrs. and SS energy: 0.577 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -348.347337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.347337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.894322 (E_RNA)
where:
Base-Base interactions energy: -232.452
where: short stacking energy: -96.190
Base-Backbone interact. energy: -0.141
local terms energy: -116.300665
where:
bonds (distance) C4'-P energy: -25.494
bonds (distance) P-C4' energy: -27.564
flat angles C4'-P-C4' energy: -25.242
flat angles P-C4'-P energy: -12.625
tors. eta vs tors. theta energy: -25.375
Dist. restrs. and SS energy: 0.547 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -351.567627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.567627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.170054 (E_RNA)
where:
Base-Base interactions energy: -242.894
where: short stacking energy: -96.126
Base-Backbone interact. energy: 4.126
local terms energy: -113.402644
where:
bonds (distance) C4'-P energy: -21.107
bonds (distance) P-C4' energy: -27.019
flat angles C4'-P-C4' energy: -22.963
flat angles P-C4'-P energy: -10.692
tors. eta vs tors. theta energy: -31.623
Dist. restrs. and SS energy: 0.602 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -278.257570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.257570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.733887 (E_RNA)
where:
Base-Base interactions energy: -187.559
where: short stacking energy: -74.309
Base-Backbone interact. energy: 5.480
local terms energy: -100.654983
where:
bonds (distance) C4'-P energy: -24.958
bonds (distance) P-C4' energy: -26.733
flat angles C4'-P-C4' energy: -23.822
flat angles P-C4'-P energy: -9.872
tors. eta vs tors. theta energy: -15.269
Dist. restrs. and SS energy: 4.476 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -441.857799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.857799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.198067 (E_RNA)
where:
Base-Base interactions energy: -303.539
where: short stacking energy: -115.073
Base-Backbone interact. energy: -0.879
local terms energy: -137.779862
where:
bonds (distance) C4'-P energy: -26.511
bonds (distance) P-C4' energy: -30.816
flat angles C4'-P-C4' energy: -28.259
flat angles P-C4'-P energy: -17.367
tors. eta vs tors. theta energy: -34.825
Dist. restrs. and SS energy: 0.340 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -416.124535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.124535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.178862 (E_RNA)
where:
Base-Base interactions energy: -274.106
where: short stacking energy: -116.150
Base-Backbone interact. energy: -0.076
local terms energy: -141.996367
where:
bonds (distance) C4'-P energy: -27.757
bonds (distance) P-C4' energy: -26.865
flat angles C4'-P-C4' energy: -29.354
flat angles P-C4'-P energy: -20.718
tors. eta vs tors. theta energy: -37.302
Dist. restrs. and SS energy: 0.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -410.875399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.875399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.263047 (E_RNA)
where:
Base-Base interactions energy: -278.939
where: short stacking energy: -114.534
Base-Backbone interact. energy: -2.259
local terms energy: -130.064527
where:
bonds (distance) C4'-P energy: -23.336
bonds (distance) P-C4' energy: -29.215
flat angles C4'-P-C4' energy: -30.665
flat angles P-C4'-P energy: -14.765
tors. eta vs tors. theta energy: -32.084
Dist. restrs. and SS energy: 0.388 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -385.910488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.910488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.184070 (E_RNA)
where:
Base-Base interactions energy: -266.318
where: short stacking energy: -102.053
Base-Backbone interact. energy: -0.166
local terms energy: -119.699973
where:
bonds (distance) C4'-P energy: -21.009
bonds (distance) P-C4' energy: -19.313
flat angles C4'-P-C4' energy: -27.096
flat angles P-C4'-P energy: -21.191
tors. eta vs tors. theta energy: -31.091
Dist. restrs. and SS energy: 0.274 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -374.658847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.658847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.082373 (E_RNA)
where:
Base-Base interactions energy: -255.960
where: short stacking energy: -96.971
Base-Backbone interact. energy: -0.437
local terms energy: -118.684671
where:
bonds (distance) C4'-P energy: -23.357
bonds (distance) P-C4' energy: -22.703
flat angles C4'-P-C4' energy: -24.200
flat angles P-C4'-P energy: -18.947
tors. eta vs tors. theta energy: -29.478
Dist. restrs. and SS energy: 0.424 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -353.872400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.872400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.201204 (E_RNA)
where:
Base-Base interactions energy: -233.161
where: short stacking energy: -94.222
Base-Backbone interact. energy: -1.831
local terms energy: -119.209528
where:
bonds (distance) C4'-P energy: -22.313
bonds (distance) P-C4' energy: -16.899
flat angles C4'-P-C4' energy: -30.163
flat angles P-C4'-P energy: -17.308
tors. eta vs tors. theta energy: -32.526
Dist. restrs. and SS energy: 0.329 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -374.556266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.556266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.972507 (E_RNA)
where:
Base-Base interactions energy: -246.374
where: short stacking energy: -99.231
Base-Backbone interact. energy: -0.378
local terms energy: -128.220404
where:
bonds (distance) C4'-P energy: -27.543
bonds (distance) P-C4' energy: -27.533
flat angles C4'-P-C4' energy: -27.169
flat angles P-C4'-P energy: -16.678
tors. eta vs tors. theta energy: -29.297
Dist. restrs. and SS energy: 0.416 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -347.063306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.063306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.486847 (E_RNA)
where:
Base-Base interactions energy: -243.061
where: short stacking energy: -99.200
Base-Backbone interact. energy: -0.648
local terms energy: -103.777025
where:
bonds (distance) C4'-P energy: -17.058
bonds (distance) P-C4' energy: -30.306
flat angles C4'-P-C4' energy: -20.057
flat angles P-C4'-P energy: -9.574
tors. eta vs tors. theta energy: -26.782
Dist. restrs. and SS energy: 0.424 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -343.219191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.219191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.557789 (E_RNA)
where:
Base-Base interactions energy: -233.748
where: short stacking energy: -86.618
Base-Backbone interact. energy: -0.774
local terms energy: -109.036111
where:
bonds (distance) C4'-P energy: -19.480
bonds (distance) P-C4' energy: -30.126
flat angles C4'-P-C4' energy: -21.755
flat angles P-C4'-P energy: -16.947
tors. eta vs tors. theta energy: -20.727
Dist. restrs. and SS energy: 0.339 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -321.608149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.608149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.132076 (E_RNA)
where:
Base-Base interactions energy: -220.341
where: short stacking energy: -88.655
Base-Backbone interact. energy: 1.321
local terms energy: -103.112841
where:
bonds (distance) C4'-P energy: -16.012
bonds (distance) P-C4' energy: -23.867
flat angles C4'-P-C4' energy: -25.216
flat angles P-C4'-P energy: -16.407
tors. eta vs tors. theta energy: -21.610
Dist. restrs. and SS energy: 0.524 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -434.385642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.385642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.548470 (E_RNA)
where:
Base-Base interactions energy: -303.772
where: short stacking energy: -100.112
Base-Backbone interact. energy: -0.501
local terms energy: -130.275493
where:
bonds (distance) C4'-P energy: -27.537
bonds (distance) P-C4' energy: -30.480
flat angles C4'-P-C4' energy: -27.404
flat angles P-C4'-P energy: -17.459
tors. eta vs tors. theta energy: -27.396
Dist. restrs. and SS energy: 0.163 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -424.774945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.774945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.998586 (E_RNA)
where:
Base-Base interactions energy: -290.203
where: short stacking energy: -113.854
Base-Backbone interact. energy: -0.135
local terms energy: -134.661397
where:
bonds (distance) C4'-P energy: -25.650
bonds (distance) P-C4' energy: -28.696
flat angles C4'-P-C4' energy: -32.800
flat angles P-C4'-P energy: -14.924
tors. eta vs tors. theta energy: -32.592
Dist. restrs. and SS energy: 0.224 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -416.770856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.770856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.869796 (E_RNA)
where:
Base-Base interactions energy: -280.519
where: short stacking energy: -111.280
Base-Backbone interact. energy: -0.037
local terms energy: -136.314531
where:
bonds (distance) C4'-P energy: -23.923
bonds (distance) P-C4' energy: -29.263
flat angles C4'-P-C4' energy: -30.636
flat angles P-C4'-P energy: -20.539
tors. eta vs tors. theta energy: -31.954
Dist. restrs. and SS energy: 0.099 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -387.640230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.640230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.774194 (E_RNA)
where:
Base-Base interactions energy: -253.315
where: short stacking energy: -109.608
Base-Backbone interact. energy: 1.157
local terms energy: -135.616143
where:
bonds (distance) C4'-P energy: -25.257
bonds (distance) P-C4' energy: -26.926
flat angles C4'-P-C4' energy: -27.794
flat angles P-C4'-P energy: -18.690
tors. eta vs tors. theta energy: -36.949
Dist. restrs. and SS energy: 0.134 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -374.941898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.941898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.211996 (E_RNA)
where:
Base-Base interactions energy: -265.875
where: short stacking energy: -102.027
Base-Backbone interact. energy: -0.671
local terms energy: -108.666769
where:
bonds (distance) C4'-P energy: -23.822
bonds (distance) P-C4' energy: -22.591
flat angles C4'-P-C4' energy: -23.036
flat angles P-C4'-P energy: -12.626
tors. eta vs tors. theta energy: -26.591
Dist. restrs. and SS energy: 0.270 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -376.022104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.022104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.408048 (E_RNA)
where:
Base-Base interactions energy: -243.816
where: short stacking energy: -98.125
Base-Backbone interact. energy: 0.020
local terms energy: -132.611496
where:
bonds (distance) C4'-P energy: -29.360
bonds (distance) P-C4' energy: -31.051
flat angles C4'-P-C4' energy: -24.017
flat angles P-C4'-P energy: -17.625
tors. eta vs tors. theta energy: -30.559
Dist. restrs. and SS energy: 0.386 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -359.151434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.151434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.411137 (E_RNA)
where:
Base-Base interactions energy: -232.817
where: short stacking energy: -92.830
Base-Backbone interact. energy: -0.848
local terms energy: -125.746466
where:
bonds (distance) C4'-P energy: -20.951
bonds (distance) P-C4' energy: -26.731
flat angles C4'-P-C4' energy: -28.661
flat angles P-C4'-P energy: -20.589
tors. eta vs tors. theta energy: -28.815
Dist. restrs. and SS energy: 0.260 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -359.943228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.943228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.104061 (E_RNA)
where:
Base-Base interactions energy: -241.355
where: short stacking energy: -93.660
Base-Backbone interact. energy: -0.382
local terms energy: -118.366978
where:
bonds (distance) C4'-P energy: -20.891
bonds (distance) P-C4' energy: -28.365
flat angles C4'-P-C4' energy: -26.782
flat angles P-C4'-P energy: -14.610
tors. eta vs tors. theta energy: -27.719
Dist. restrs. and SS energy: 0.161 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -326.355558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.355558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.754267 (E_RNA)
where:
Base-Base interactions energy: -208.673
where: short stacking energy: -84.060
Base-Backbone interact. energy: -0.786
local terms energy: -117.295453
where:
bonds (distance) C4'-P energy: -18.754
bonds (distance) P-C4' energy: -29.103
flat angles C4'-P-C4' energy: -26.431
flat angles P-C4'-P energy: -20.580
tors. eta vs tors. theta energy: -22.428
Dist. restrs. and SS energy: 0.399 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -322.102948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.102948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.218809 (E_RNA)
where:
Base-Base interactions energy: -211.504
where: short stacking energy: -80.468
Base-Backbone interact. energy: -1.587
local terms energy: -109.127880
where:
bonds (distance) C4'-P energy: -22.541
bonds (distance) P-C4' energy: -27.215
flat angles C4'-P-C4' energy: -18.218
flat angles P-C4'-P energy: -16.678
tors. eta vs tors. theta energy: -24.476
Dist. restrs. and SS energy: 0.116 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -436.780950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.780950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.897147 (E_RNA)
where:
Base-Base interactions energy: -299.481
where: short stacking energy: -115.340
Base-Backbone interact. energy: -0.542
local terms energy: -136.874129
where:
bonds (distance) C4'-P energy: -26.670
bonds (distance) P-C4' energy: -29.961
flat angles C4'-P-C4' energy: -29.308
flat angles P-C4'-P energy: -17.105
tors. eta vs tors. theta energy: -33.830
Dist. restrs. and SS energy: 0.116 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -413.108425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.108425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.132433 (E_RNA)
where:
Base-Base interactions energy: -279.917
where: short stacking energy: -115.488
Base-Backbone interact. energy: -1.037
local terms energy: -132.178379
where:
bonds (distance) C4'-P energy: -24.242
bonds (distance) P-C4' energy: -28.377
flat angles C4'-P-C4' energy: -28.748
flat angles P-C4'-P energy: -18.248
tors. eta vs tors. theta energy: -32.564
Dist. restrs. and SS energy: 0.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -396.332294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.332294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.558669 (E_RNA)
where:
Base-Base interactions energy: -263.032
where: short stacking energy: -96.350
Base-Backbone interact. energy: -0.301
local terms energy: -133.226435
where:
bonds (distance) C4'-P energy: -25.456
bonds (distance) P-C4' energy: -26.254
flat angles C4'-P-C4' energy: -28.297
flat angles P-C4'-P energy: -18.911
tors. eta vs tors. theta energy: -34.308
Dist. restrs. and SS energy: 0.226 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -394.494530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.494530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.687737 (E_RNA)
where:
Base-Base interactions energy: -265.807
where: short stacking energy: -116.786
Base-Backbone interact. energy: -0.109
local terms energy: -128.771207
where:
bonds (distance) C4'-P energy: -21.584
bonds (distance) P-C4' energy: -26.956
flat angles C4'-P-C4' energy: -27.696
flat angles P-C4'-P energy: -17.895
tors. eta vs tors. theta energy: -34.641
Dist. restrs. and SS energy: 0.193 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -375.880082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.880082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.042012 (E_RNA)
where:
Base-Base interactions energy: -262.869
where: short stacking energy: -100.948
Base-Backbone interact. energy: -0.694
local terms energy: -112.479023
where:
bonds (distance) C4'-P energy: -19.370
bonds (distance) P-C4' energy: -27.427
flat angles C4'-P-C4' energy: -26.674
flat angles P-C4'-P energy: -10.048
tors. eta vs tors. theta energy: -28.959
Dist. restrs. and SS energy: 0.162 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -382.715078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.715078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.983679 (E_RNA)
where:
Base-Base interactions energy: -259.771
where: short stacking energy: -104.582
Base-Backbone interact. energy: -0.090
local terms energy: -123.122797
where:
bonds (distance) C4'-P energy: -26.540
bonds (distance) P-C4' energy: -26.200
flat angles C4'-P-C4' energy: -27.827
flat angles P-C4'-P energy: -15.117
tors. eta vs tors. theta energy: -27.439
Dist. restrs. and SS energy: 0.269 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -357.208863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.208863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.630630 (E_RNA)
where:
Base-Base interactions energy: -232.533
where: short stacking energy: -97.228
Base-Backbone interact. energy: 0.412
local terms energy: -125.509309
where:
bonds (distance) C4'-P energy: -24.702
bonds (distance) P-C4' energy: -29.892
flat angles C4'-P-C4' energy: -28.113
flat angles P-C4'-P energy: -14.287
tors. eta vs tors. theta energy: -28.516
Dist. restrs. and SS energy: 0.422 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -353.717089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.717089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.154358 (E_RNA)
where:
Base-Base interactions energy: -241.557
where: short stacking energy: -100.259
Base-Backbone interact. energy: -0.813
local terms energy: -111.784523
where:
bonds (distance) C4'-P energy: -22.895
bonds (distance) P-C4' energy: -25.239
flat angles C4'-P-C4' energy: -22.086
flat angles P-C4'-P energy: -11.751
tors. eta vs tors. theta energy: -29.814
Dist. restrs. and SS energy: 0.437 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -335.861127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.861127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.387705 (E_RNA)
where:
Base-Base interactions energy: -228.670
where: short stacking energy: -89.139
Base-Backbone interact. energy: -0.170
local terms energy: -107.547120
where:
bonds (distance) C4'-P energy: -22.983
bonds (distance) P-C4' energy: -17.671
flat angles C4'-P-C4' energy: -28.505
flat angles P-C4'-P energy: -11.456
tors. eta vs tors. theta energy: -26.932
Dist. restrs. and SS energy: 0.527 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -318.241429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.241429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.556708 (E_RNA)
where:
Base-Base interactions energy: -217.380
where: short stacking energy: -80.957
Base-Backbone interact. energy: -0.354
local terms energy: -100.822913
where:
bonds (distance) C4'-P energy: -25.555
bonds (distance) P-C4' energy: -14.746
flat angles C4'-P-C4' energy: -22.316
flat angles P-C4'-P energy: -17.104
tors. eta vs tors. theta energy: -21.102
Dist. restrs. and SS energy: 0.315 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -439.260674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.260674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.394638 (E_RNA)
where:
Base-Base interactions energy: -309.105
where: short stacking energy: -112.180
Base-Backbone interact. energy: 1.078
local terms energy: -131.367506
where:
bonds (distance) C4'-P energy: -26.737
bonds (distance) P-C4' energy: -23.695
flat angles C4'-P-C4' energy: -29.062
flat angles P-C4'-P energy: -20.099
tors. eta vs tors. theta energy: -31.775
Dist. restrs. and SS energy: 0.134 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -413.818125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.818125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.753061 (E_RNA)
where:
Base-Base interactions energy: -270.582
where: short stacking energy: -120.003
Base-Backbone interact. energy: -0.766
local terms energy: -143.405199
where:
bonds (distance) C4'-P energy: -26.919
bonds (distance) P-C4' energy: -30.752
flat angles C4'-P-C4' energy: -30.296
flat angles P-C4'-P energy: -20.452
tors. eta vs tors. theta energy: -34.986
Dist. restrs. and SS energy: 0.935 (S_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: 211
Temperature: 1.000000
Total energy: -398.316172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.316172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.756827 (E_RNA)
where:
Base-Base interactions energy: -268.114
where: short stacking energy: -104.132
Base-Backbone interact. energy: -0.118
local terms energy: -130.525534
where:
bonds (distance) C4'-P energy: -27.740
bonds (distance) P-C4' energy: -24.718
flat angles C4'-P-C4' energy: -30.737
flat angles P-C4'-P energy: -16.776
tors. eta vs tors. theta energy: -30.554
Dist. restrs. and SS energy: 0.441 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -382.855267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.855267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.244257 (E_RNA)
where:
Base-Base interactions energy: -263.289
where: short stacking energy: -107.657
Base-Backbone interact. energy: -0.664
local terms energy: -119.291299
where:
bonds (distance) C4'-P energy: -17.814
bonds (distance) P-C4' energy: -26.183
flat angles C4'-P-C4' energy: -26.821
flat angles P-C4'-P energy: -13.089
tors. eta vs tors. theta energy: -35.385
Dist. restrs. and SS energy: 0.389 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -403.261048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.261048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.651436 (E_RNA)
where:
Base-Base interactions energy: -271.953
where: short stacking energy: -106.065
Base-Backbone interact. energy: -0.093
local terms energy: -131.605438
where:
bonds (distance) C4'-P energy: -29.443
bonds (distance) P-C4' energy: -29.989
flat angles C4'-P-C4' energy: -24.655
flat angles P-C4'-P energy: -16.274
tors. eta vs tors. theta energy: -31.245
Dist. restrs. and SS energy: 0.390 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -372.547881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.547881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.674033 (E_RNA)
where:
Base-Base interactions energy: -257.118
where: short stacking energy: -100.846
Base-Backbone interact. energy: -1.042
local terms energy: -114.514536
where:
bonds (distance) C4'-P energy: -24.998
bonds (distance) P-C4' energy: -24.430
flat angles C4'-P-C4' energy: -21.094
flat angles P-C4'-P energy: -13.057
tors. eta vs tors. theta energy: -30.935
Dist. restrs. and SS energy: 0.126 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -342.088232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.088232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.391362 (E_RNA)
where:
Base-Base interactions energy: -234.253
where: short stacking energy: -98.763
Base-Backbone interact. energy: -0.117
local terms energy: -108.020644
where:
bonds (distance) C4'-P energy: -22.338
bonds (distance) P-C4' energy: -23.719
flat angles C4'-P-C4' energy: -22.887
flat angles P-C4'-P energy: -12.401
tors. eta vs tors. theta energy: -26.676
Dist. restrs. and SS energy: 0.303 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -336.849299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.849299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.243683 (E_RNA)
where:
Base-Base interactions energy: -228.638
where: short stacking energy: -86.126
Base-Backbone interact. energy: -0.267
local terms energy: -108.339078
where:
bonds (distance) C4'-P energy: -19.414
bonds (distance) P-C4' energy: -22.516
flat angles C4'-P-C4' energy: -28.282
flat angles P-C4'-P energy: -14.391
tors. eta vs tors. theta energy: -23.736
Dist. restrs. and SS energy: 0.394 (S_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: 211
Temperature: 1.300000
Total energy: -335.640106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.640106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.121809 (E_RNA)
where:
Base-Base interactions energy: -221.805
where: short stacking energy: -87.662
Base-Backbone interact. energy: -1.164
local terms energy: -113.152659
where:
bonds (distance) C4'-P energy: -20.934
bonds (distance) P-C4' energy: -22.539
flat angles C4'-P-C4' energy: -24.651
flat angles P-C4'-P energy: -20.983
tors. eta vs tors. theta energy: -24.046
Dist. restrs. and SS energy: 0.482 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -314.640279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.640279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.987034 (E_RNA)
where:
Base-Base interactions energy: -216.811
where: short stacking energy: -85.836
Base-Backbone interact. energy: 2.871
local terms energy: -101.046973
where:
bonds (distance) C4'-P energy: -17.180
bonds (distance) P-C4' energy: -24.641
flat angles C4'-P-C4' energy: -22.849
flat angles P-C4'-P energy: -15.167
tors. eta vs tors. theta energy: -21.210
Dist. restrs. and SS energy: 0.347 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -421.581736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.581736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.950737 (E_RNA)
where:
Base-Base interactions energy: -294.402
where: short stacking energy: -119.293
Base-Backbone interact. energy: -0.279
local terms energy: -127.270341
where:
bonds (distance) C4'-P energy: -24.453
bonds (distance) P-C4' energy: -23.183
flat angles C4'-P-C4' energy: -28.261
flat angles P-C4'-P energy: -13.767
tors. eta vs tors. theta energy: -37.607
Dist. restrs. and SS energy: 0.369 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -431.893751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.893751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.370282 (E_RNA)
where:
Base-Base interactions energy: -312.328
where: short stacking energy: -113.830
Base-Backbone interact. energy: -0.471
local terms energy: -119.571038
where:
bonds (distance) C4'-P energy: -21.789
bonds (distance) P-C4' energy: -24.601
flat angles C4'-P-C4' energy: -27.095
flat angles P-C4'-P energy: -13.368
tors. eta vs tors. theta energy: -32.718
Dist. restrs. and SS energy: 0.477 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -403.074343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.074343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.125267 (E_RNA)
where:
Base-Base interactions energy: -271.835
where: short stacking energy: -118.642
Base-Backbone interact. energy: -1.542
local terms energy: -129.748418
where:
bonds (distance) C4'-P energy: -23.985
bonds (distance) P-C4' energy: -25.518
flat angles C4'-P-C4' energy: -29.558
flat angles P-C4'-P energy: -18.489
tors. eta vs tors. theta energy: -32.199
Dist. restrs. and SS energy: 0.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -389.186266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.186266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.194039 (E_RNA)
where:
Base-Base interactions energy: -265.867
where: short stacking energy: -116.202
Base-Backbone interact. energy: -0.368
local terms energy: -122.959690
where:
bonds (distance) C4'-P energy: -26.738
bonds (distance) P-C4' energy: -29.425
flat angles C4'-P-C4' energy: -22.525
flat angles P-C4'-P energy: -14.370
tors. eta vs tors. theta energy: -29.902
Dist. restrs. and SS energy: 0.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -386.514759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.514759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.584858 (E_RNA)
where:
Base-Base interactions energy: -262.324
where: short stacking energy: -106.822
Base-Backbone interact. energy: -1.241
local terms energy: -123.019233
where:
bonds (distance) C4'-P energy: -25.804
bonds (distance) P-C4' energy: -28.188
flat angles C4'-P-C4' energy: -27.270
flat angles P-C4'-P energy: -14.828
tors. eta vs tors. theta energy: -26.930
Dist. restrs. and SS energy: 0.070 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -372.177545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.177545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.257847 (E_RNA)
where:
Base-Base interactions energy: -253.515
where: short stacking energy: -107.021
Base-Backbone interact. energy: -0.354
local terms energy: -118.388530
where:
bonds (distance) C4'-P energy: -17.909
bonds (distance) P-C4' energy: -23.868
flat angles C4'-P-C4' energy: -20.576
flat angles P-C4'-P energy: -22.193
tors. eta vs tors. theta energy: -33.843
Dist. restrs. and SS energy: 0.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -346.343546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.343546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.591614 (E_RNA)
where:
Base-Base interactions energy: -232.743
where: short stacking energy: -95.508
Base-Backbone interact. energy: -0.460
local terms energy: -113.388280
where:
bonds (distance) C4'-P energy: -18.313
bonds (distance) P-C4' energy: -27.111
flat angles C4'-P-C4' energy: -27.424
flat angles P-C4'-P energy: -14.548
tors. eta vs tors. theta energy: -25.992
Dist. restrs. and SS energy: 0.248 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -352.538295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.538295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.766612 (E_RNA)
where:
Base-Base interactions energy: -234.526
where: short stacking energy: -84.955
Base-Backbone interact. energy: -0.351
local terms energy: -117.890314
where:
bonds (distance) C4'-P energy: -25.840
bonds (distance) P-C4' energy: -28.603
flat angles C4'-P-C4' energy: -25.661
flat angles P-C4'-P energy: -15.620
tors. eta vs tors. theta energy: -22.167
Dist. restrs. and SS energy: 0.228 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -315.683204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.683204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.839112 (E_RNA)
where:
Base-Base interactions energy: -210.523
where: short stacking energy: -78.889
Base-Backbone interact. energy: 0.625
local terms energy: -105.941745
where:
bonds (distance) C4'-P energy: -25.733
bonds (distance) P-C4' energy: -27.027
flat angles C4'-P-C4' energy: -21.807
flat angles P-C4'-P energy: -13.325
tors. eta vs tors. theta energy: -18.051
Dist. restrs. and SS energy: 0.156 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -329.622663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.622663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.090729 (E_RNA)
where:
Base-Base interactions energy: -230.703
where: short stacking energy: -80.057
Base-Backbone interact. energy: -0.416
local terms energy: -98.971904
where:
bonds (distance) C4'-P energy: -16.237
bonds (distance) P-C4' energy: -18.284
flat angles C4'-P-C4' energy: -32.433
flat angles P-C4'-P energy: -13.511
tors. eta vs tors. theta energy: -18.507
Dist. restrs. and SS energy: 0.468 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -414.989654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.989654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.162060 (E_RNA)
where:
Base-Base interactions energy: -284.199
where: short stacking energy: -123.317
Base-Backbone interact. energy: -0.239
local terms energy: -130.723939
where:
bonds (distance) C4'-P energy: -24.041
bonds (distance) P-C4' energy: -26.260
flat angles C4'-P-C4' energy: -28.762
flat angles P-C4'-P energy: -18.492
tors. eta vs tors. theta energy: -33.170
Dist. restrs. and SS energy: 0.172 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -428.406143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.406143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.766894 (E_RNA)
where:
Base-Base interactions energy: -300.306
where: short stacking energy: -119.881
Base-Backbone interact. energy: -0.212
local terms energy: -128.249366
where:
bonds (distance) C4'-P energy: -27.806
bonds (distance) P-C4' energy: -27.241
flat angles C4'-P-C4' energy: -25.714
flat angles P-C4'-P energy: -15.596
tors. eta vs tors. theta energy: -31.891
Dist. restrs. and SS energy: 0.361 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -404.235484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.235484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.368712 (E_RNA)
where:
Base-Base interactions energy: -275.728
where: short stacking energy: -105.139
Base-Backbone interact. energy: -0.726
local terms energy: -127.914194
where:
bonds (distance) C4'-P energy: -24.754
bonds (distance) P-C4' energy: -26.222
flat angles C4'-P-C4' energy: -26.554
flat angles P-C4'-P energy: -19.163
tors. eta vs tors. theta energy: -31.220
Dist. restrs. and SS energy: 0.133 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -394.505658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.505658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.836976 (E_RNA)
where:
Base-Base interactions energy: -271.789
where: short stacking energy: -108.473
Base-Backbone interact. energy: -0.798
local terms energy: -122.250227
where:
bonds (distance) C4'-P energy: -26.510
bonds (distance) P-C4' energy: -22.034
flat angles C4'-P-C4' energy: -29.069
flat angles P-C4'-P energy: -11.840
tors. eta vs tors. theta energy: -32.797
Dist. restrs. and SS energy: 0.331 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -380.047991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.047991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.267985 (E_RNA)
where:
Base-Base interactions energy: -252.052
where: short stacking energy: -102.346
Base-Backbone interact. energy: -0.438
local terms energy: -127.777940
where:
bonds (distance) C4'-P energy: -20.797
bonds (distance) P-C4' energy: -28.036
flat angles C4'-P-C4' energy: -25.396
flat angles P-C4'-P energy: -20.122
tors. eta vs tors. theta energy: -33.427
Dist. restrs. and SS energy: 0.220 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -385.078902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.078902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.254603 (E_RNA)
where:
Base-Base interactions energy: -265.338
where: short stacking energy: -100.489
Base-Backbone interact. energy: -0.594
local terms energy: -119.322093
where:
bonds (distance) C4'-P energy: -20.389
bonds (distance) P-C4' energy: -21.205
flat angles C4'-P-C4' energy: -31.164
flat angles P-C4'-P energy: -15.057
tors. eta vs tors. theta energy: -31.508
Dist. restrs. and SS energy: 0.176 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -336.975020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.975020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.561563 (E_RNA)
where:
Base-Base interactions energy: -234.127
where: short stacking energy: -92.846
Base-Backbone interact. energy: -0.378
local terms energy: -103.056561
where:
bonds (distance) C4'-P energy: -18.981
bonds (distance) P-C4' energy: -23.548
flat angles C4'-P-C4' energy: -25.267
flat angles P-C4'-P energy: -11.787
tors. eta vs tors. theta energy: -23.474
Dist. restrs. and SS energy: 0.587 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -332.283361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.283361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.539646 (E_RNA)
where:
Base-Base interactions energy: -223.951
where: short stacking energy: -93.289
Base-Backbone interact. energy: -0.206
local terms energy: -108.382777
where:
bonds (distance) C4'-P energy: -21.849
bonds (distance) P-C4' energy: -25.276
flat angles C4'-P-C4' energy: -24.272
flat angles P-C4'-P energy: -14.941
tors. eta vs tors. theta energy: -22.046
Dist. restrs. and SS energy: 0.256 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -335.532632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.532632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.747265 (E_RNA)
where:
Base-Base interactions energy: -226.901
where: short stacking energy: -90.885
Base-Backbone interact. energy: -0.457
local terms energy: -108.389231
where:
bonds (distance) C4'-P energy: -24.801
bonds (distance) P-C4' energy: -20.070
flat angles C4'-P-C4' energy: -27.171
flat angles P-C4'-P energy: -15.502
tors. eta vs tors. theta energy: -20.845
Dist. restrs. and SS energy: 0.215 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -328.225833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.225833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.454938 (E_RNA)
where:
Base-Base interactions energy: -224.170
where: short stacking energy: -85.170
Base-Backbone interact. energy: 3.302
local terms energy: -107.587508
where:
bonds (distance) C4'-P energy: -22.226
bonds (distance) P-C4' energy: -25.165
flat angles C4'-P-C4' energy: -25.872
flat angles P-C4'-P energy: -16.793
tors. eta vs tors. theta energy: -17.532
Dist. restrs. and SS energy: 0.229 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -437.219922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.219922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.389459 (E_RNA)
where:
Base-Base interactions energy: -308.941
where: short stacking energy: -114.926
Base-Backbone interact. energy: -0.679
local terms energy: -127.769284
where:
bonds (distance) C4'-P energy: -28.907
bonds (distance) P-C4' energy: -26.870
flat angles C4'-P-C4' energy: -22.762
flat angles P-C4'-P energy: -13.276
tors. eta vs tors. theta energy: -35.953
Dist. restrs. and SS energy: 0.170 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -408.173211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.173211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.339913 (E_RNA)
where:
Base-Base interactions energy: -272.712
where: short stacking energy: -115.935
Base-Backbone interact. energy: -0.386
local terms energy: -135.242113
where:
bonds (distance) C4'-P energy: -27.894
bonds (distance) P-C4' energy: -29.791
flat angles C4'-P-C4' energy: -28.321
flat angles P-C4'-P energy: -18.077
tors. eta vs tors. theta energy: -31.158
Dist. restrs. and SS energy: 0.167 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -399.325492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.325492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.677374 (E_RNA)
where:
Base-Base interactions energy: -260.387
where: short stacking energy: -103.425
Base-Backbone interact. energy: -0.402
local terms energy: -138.888730
where:
bonds (distance) C4'-P energy: -29.979
bonds (distance) P-C4' energy: -28.327
flat angles C4'-P-C4' energy: -29.827
flat angles P-C4'-P energy: -23.439
tors. eta vs tors. theta energy: -27.316
Dist. restrs. and SS energy: 0.352 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -391.090767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.090767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.621518 (E_RNA)
where:
Base-Base interactions energy: -262.731
where: short stacking energy: -110.178
Base-Backbone interact. energy: -1.206
local terms energy: -127.684055
where:
bonds (distance) C4'-P energy: -26.565
bonds (distance) P-C4' energy: -27.934
flat angles C4'-P-C4' energy: -27.921
flat angles P-C4'-P energy: -14.448
tors. eta vs tors. theta energy: -30.817
Dist. restrs. and SS energy: 0.531 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -380.866256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.866256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.014551 (E_RNA)
where:
Base-Base interactions energy: -259.629
where: short stacking energy: -98.459
Base-Backbone interact. energy: -1.781
local terms energy: -119.604743
where:
bonds (distance) C4'-P energy: -22.677
bonds (distance) P-C4' energy: -22.805
flat angles C4'-P-C4' energy: -28.842
flat angles P-C4'-P energy: -15.932
tors. eta vs tors. theta energy: -29.348
Dist. restrs. and SS energy: 0.148 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -379.624222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.624222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.711929 (E_RNA)
where:
Base-Base interactions energy: -248.651
where: short stacking energy: -110.952
Base-Backbone interact. energy: 0.326
local terms energy: -131.386690
where:
bonds (distance) C4'-P energy: -21.171
bonds (distance) P-C4' energy: -30.378
flat angles C4'-P-C4' energy: -28.750
flat angles P-C4'-P energy: -23.986
tors. eta vs tors. theta energy: -27.102
Dist. restrs. and SS energy: 0.088 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -350.939500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.939500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.262848 (E_RNA)
where:
Base-Base interactions energy: -244.685
where: short stacking energy: -103.855
Base-Backbone interact. energy: 0.222
local terms energy: -106.799916
where:
bonds (distance) C4'-P energy: -20.333
bonds (distance) P-C4' energy: -25.680
flat angles C4'-P-C4' energy: -20.493
flat angles P-C4'-P energy: -10.350
tors. eta vs tors. theta energy: -29.944
Dist. restrs. and SS energy: 0.323 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -329.926288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.926288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.284593 (E_RNA)
where:
Base-Base interactions energy: -227.730
where: short stacking energy: -93.096
Base-Backbone interact. energy: -0.522
local terms energy: -102.032730
where:
bonds (distance) C4'-P energy: -20.721
bonds (distance) P-C4' energy: -24.469
flat angles C4'-P-C4' energy: -24.470
flat angles P-C4'-P energy: -9.894
tors. eta vs tors. theta energy: -22.480
Dist. restrs. and SS energy: 0.358 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -330.954370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.954370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.603051 (E_RNA)
where:
Base-Base interactions energy: -226.165
where: short stacking energy: -91.539
Base-Backbone interact. energy: -0.549
local terms energy: -104.889050
where:
bonds (distance) C4'-P energy: -23.679
bonds (distance) P-C4' energy: -22.457
flat angles C4'-P-C4' energy: -27.831
flat angles P-C4'-P energy: -6.110
tors. eta vs tors. theta energy: -24.812
Dist. restrs. and SS energy: 0.649 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -344.998031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.998031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.483359 (E_RNA)
where:
Base-Base interactions energy: -233.780
where: short stacking energy: -84.972
Base-Backbone interact. energy: -1.514
local terms energy: -110.189328
where:
bonds (distance) C4'-P energy: -25.936
bonds (distance) P-C4' energy: -18.559
flat angles C4'-P-C4' energy: -22.030
flat angles P-C4'-P energy: -18.572
tors. eta vs tors. theta energy: -25.092
Dist. restrs. and SS energy: 0.485 (S_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: 215
Temperature: 0.900000
Total energy: -443.755118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.755118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.868884 (E_RNA)
where:
Base-Base interactions energy: -304.425
where: short stacking energy: -116.269
Base-Backbone interact. energy: -0.303
local terms energy: -139.140757
where:
bonds (distance) C4'-P energy: -27.786
bonds (distance) P-C4' energy: -28.434
flat angles C4'-P-C4' energy: -29.176
flat angles P-C4'-P energy: -18.377
tors. eta vs tors. theta energy: -35.368
Dist. restrs. and SS energy: 0.114 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -399.964977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.964977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.964977 (E_RNA)
where:
Base-Base interactions energy: -265.103
where: short stacking energy: -108.012
Base-Backbone interact. energy: -1.388
local terms energy: -133.473695
where:
bonds (distance) C4'-P energy: -26.682
bonds (distance) P-C4' energy: -28.363
flat angles C4'-P-C4' energy: -27.535
flat angles P-C4'-P energy: -17.535
tors. eta vs tors. theta energy: -33.359
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -415.889694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.889694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.910090 (E_RNA)
where:
Base-Base interactions energy: -287.218
where: short stacking energy: -104.962
Base-Backbone interact. energy: -0.045
local terms energy: -128.647461
where:
bonds (distance) C4'-P energy: -24.890
bonds (distance) P-C4' energy: -27.006
flat angles C4'-P-C4' energy: -32.307
flat angles P-C4'-P energy: -13.963
tors. eta vs tors. theta energy: -30.482
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -383.315672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.315672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.790393 (E_RNA)
where:
Base-Base interactions energy: -260.052
where: short stacking energy: -105.809
Base-Backbone interact. energy: -0.841
local terms energy: -122.897572
where:
bonds (distance) C4'-P energy: -18.893
bonds (distance) P-C4' energy: -28.355
flat angles C4'-P-C4' energy: -31.625
flat angles P-C4'-P energy: -18.388
tors. eta vs tors. theta energy: -25.636
Dist. restrs. and SS energy: 0.475 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -385.376188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.376188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.820266 (E_RNA)
where:
Base-Base interactions energy: -264.640
where: short stacking energy: -99.374
Base-Backbone interact. energy: 0.156
local terms energy: -121.335600
where:
bonds (distance) C4'-P energy: -22.831
bonds (distance) P-C4' energy: -23.927
flat angles C4'-P-C4' energy: -28.351
flat angles P-C4'-P energy: -20.777
tors. eta vs tors. theta energy: -25.450
Dist. restrs. and SS energy: 0.444 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -372.463878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.463878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.061356 (E_RNA)
where:
Base-Base interactions energy: -264.940
where: short stacking energy: -107.488
Base-Backbone interact. energy: -0.229
local terms energy: -107.892662
where:
bonds (distance) C4'-P energy: -19.472
bonds (distance) P-C4' energy: -22.436
flat angles C4'-P-C4' energy: -18.756
flat angles P-C4'-P energy: -15.925
tors. eta vs tors. theta energy: -31.303
Dist. restrs. and SS energy: 0.597 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -359.309517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.309517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.508842 (E_RNA)
where:
Base-Base interactions energy: -249.597
where: short stacking energy: -93.954
Base-Backbone interact. energy: -0.428
local terms energy: -109.483905
where:
bonds (distance) C4'-P energy: -24.807
bonds (distance) P-C4' energy: -20.589
flat angles C4'-P-C4' energy: -25.328
flat angles P-C4'-P energy: -13.704
tors. eta vs tors. theta energy: -25.057
Dist. restrs. and SS energy: 0.199 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -338.813961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.813961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.237645 (E_RNA)
where:
Base-Base interactions energy: -222.616
where: short stacking energy: -89.125
Base-Backbone interact. energy: -0.299
local terms energy: -116.322665
where:
bonds (distance) C4'-P energy: -26.242
bonds (distance) P-C4' energy: -22.968
flat angles C4'-P-C4' energy: -27.848
flat angles P-C4'-P energy: -13.498
tors. eta vs tors. theta energy: -25.767
Dist. restrs. and SS energy: 0.424 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -338.120801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.120801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.909750 (E_RNA)
where:
Base-Base interactions energy: -227.829
where: short stacking energy: -93.692
Base-Backbone interact. energy: -0.765
local terms energy: -110.315534
where:
bonds (distance) C4'-P energy: -13.139
bonds (distance) P-C4' energy: -26.864
flat angles C4'-P-C4' energy: -29.325
flat angles P-C4'-P energy: -14.811
tors. eta vs tors. theta energy: -26.175
Dist. restrs. and SS energy: 0.789 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -327.345651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.345651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.532295 (E_RNA)
where:
Base-Base interactions energy: -220.229
where: short stacking energy: -82.837
Base-Backbone interact. energy: -0.091
local terms energy: -107.211651
where:
bonds (distance) C4'-P energy: -17.879
bonds (distance) P-C4' energy: -25.842
flat angles C4'-P-C4' energy: -20.150
flat angles P-C4'-P energy: -18.698
tors. eta vs tors. theta energy: -24.643
Dist. restrs. and SS energy: 0.187 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -412.061125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.061125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.159700 (E_RNA)
where:
Base-Base interactions energy: -274.432
where: short stacking energy: -112.781
Base-Backbone interact. energy: 0.310
local terms energy: -138.037051
where:
bonds (distance) C4'-P energy: -27.413
bonds (distance) P-C4' energy: -28.240
flat angles C4'-P-C4' energy: -30.782
flat angles P-C4'-P energy: -23.881
tors. eta vs tors. theta energy: -27.721
Dist. restrs. and SS energy: 0.099 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -434.173356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.173356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.332981 (E_RNA)
where:
Base-Base interactions energy: -305.172
where: short stacking energy: -113.100
Base-Backbone interact. energy: -0.064
local terms energy: -129.096831
where:
bonds (distance) C4'-P energy: -26.329
bonds (distance) P-C4' energy: -26.238
flat angles C4'-P-C4' energy: -25.366
flat angles P-C4'-P energy: -17.204
tors. eta vs tors. theta energy: -33.960
Dist. restrs. and SS energy: 0.160 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -404.365970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.365970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.401646 (E_RNA)
where:
Base-Base interactions energy: -272.941
where: short stacking energy: -103.405
Base-Backbone interact. energy: -0.698
local terms energy: -130.762414
where:
bonds (distance) C4'-P energy: -27.880
bonds (distance) P-C4' energy: -23.680
flat angles C4'-P-C4' energy: -28.586
flat angles P-C4'-P energy: -21.600
tors. eta vs tors. theta energy: -29.017
Dist. restrs. and SS energy: 0.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -398.683360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.683360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.847031 (E_RNA)
where:
Base-Base interactions energy: -270.006
where: short stacking energy: -108.893
Base-Backbone interact. energy: -0.955
local terms energy: -127.885984
where:
bonds (distance) C4'-P energy: -27.946
bonds (distance) P-C4' energy: -24.293
flat angles C4'-P-C4' energy: -30.399
flat angles P-C4'-P energy: -16.297
tors. eta vs tors. theta energy: -28.950
Dist. restrs. and SS energy: 0.164 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -378.844816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.844816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.111047 (E_RNA)
where:
Base-Base interactions energy: -243.785
where: short stacking energy: -100.075
Base-Backbone interact. energy: -1.048
local terms energy: -134.277601
where:
bonds (distance) C4'-P energy: -26.129
bonds (distance) P-C4' energy: -30.566
flat angles C4'-P-C4' energy: -29.529
flat angles P-C4'-P energy: -20.758
tors. eta vs tors. theta energy: -27.296
Dist. restrs. and SS energy: 0.266 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -361.209802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.209802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.313967 (E_RNA)
where:
Base-Base interactions energy: -230.348
where: short stacking energy: -94.313
Base-Backbone interact. energy: -0.093
local terms energy: -130.873216
where:
bonds (distance) C4'-P energy: -29.706
bonds (distance) P-C4' energy: -25.761
flat angles C4'-P-C4' energy: -31.287
flat angles P-C4'-P energy: -15.987
tors. eta vs tors. theta energy: -28.133
Dist. restrs. and SS energy: 0.104 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -358.755589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.755589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.765488 (E_RNA)
where:
Base-Base interactions energy: -243.369
where: short stacking energy: -101.947
Base-Backbone interact. energy: -0.123
local terms energy: -115.272709
where:
bonds (distance) C4'-P energy: -24.581
bonds (distance) P-C4' energy: -21.797
flat angles C4'-P-C4' energy: -28.630
flat angles P-C4'-P energy: -14.102
tors. eta vs tors. theta energy: -26.162
Dist. restrs. and SS energy: 0.010 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -339.542149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.542149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.629418 (E_RNA)
where:
Base-Base interactions energy: -232.854
where: short stacking energy: -89.500
Base-Backbone interact. energy: 1.953
local terms energy: -108.728959
where:
bonds (distance) C4'-P energy: -17.653
bonds (distance) P-C4' energy: -24.071
flat angles C4'-P-C4' energy: -28.657
flat angles P-C4'-P energy: -15.848
tors. eta vs tors. theta energy: -22.501
Dist. restrs. and SS energy: 0.087 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -309.874254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.874254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.379909 (E_RNA)
where:
Base-Base interactions energy: -212.176
where: short stacking energy: -81.841
Base-Backbone interact. energy: -0.186
local terms energy: -98.017678
where:
bonds (distance) C4'-P energy: -20.648
bonds (distance) P-C4' energy: -13.211
flat angles C4'-P-C4' energy: -29.572
flat angles P-C4'-P energy: -13.419
tors. eta vs tors. theta energy: -21.169
Dist. restrs. and SS energy: 0.506 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -316.914191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.914191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.943393 (E_RNA)
where:
Base-Base interactions energy: -209.525
where: short stacking energy: -86.584
Base-Backbone interact. energy: 0.332
local terms energy: -108.750059
where:
bonds (distance) C4'-P energy: -25.856
bonds (distance) P-C4' energy: -18.859
flat angles C4'-P-C4' energy: -18.335
flat angles P-C4'-P energy: -21.104
tors. eta vs tors. theta energy: -24.596
Dist. restrs. and SS energy: 1.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -406.109850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.109850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.611349 (E_RNA)
where:
Base-Base interactions energy: -272.964
where: short stacking energy: -107.476
Base-Backbone interact. energy: -0.445
local terms energy: -133.202403
where:
bonds (distance) C4'-P energy: -24.228
bonds (distance) P-C4' energy: -28.483
flat angles C4'-P-C4' energy: -32.719
flat angles P-C4'-P energy: -21.488
tors. eta vs tors. theta energy: -26.284
Dist. restrs. and SS energy: 0.501 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -431.921189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.921189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.576116 (E_RNA)
where:
Base-Base interactions energy: -300.034
where: short stacking energy: -117.760
Base-Backbone interact. energy: -0.521
local terms energy: -132.020787
where:
bonds (distance) C4'-P energy: -27.369
bonds (distance) P-C4' energy: -27.321
flat angles C4'-P-C4' energy: -23.594
flat angles P-C4'-P energy: -21.096
tors. eta vs tors. theta energy: -32.642
Dist. restrs. and SS energy: 0.655 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -401.476563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.476563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.579696 (E_RNA)
where:
Base-Base interactions energy: -285.123
where: short stacking energy: -110.552
Base-Backbone interact. energy: -0.251
local terms energy: -116.205891
where:
bonds (distance) C4'-P energy: -18.339
bonds (distance) P-C4' energy: -23.964
flat angles C4'-P-C4' energy: -28.330
flat angles P-C4'-P energy: -11.588
tors. eta vs tors. theta energy: -33.985
Dist. restrs. and SS energy: 0.103 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -399.430240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.430240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.746575 (E_RNA)
where:
Base-Base interactions energy: -266.206
where: short stacking energy: -110.113
Base-Backbone interact. energy: -1.129
local terms energy: -132.412072
where:
bonds (distance) C4'-P energy: -25.994
bonds (distance) P-C4' energy: -26.773
flat angles C4'-P-C4' energy: -26.618
flat angles P-C4'-P energy: -23.115
tors. eta vs tors. theta energy: -29.913
Dist. restrs. and SS energy: 0.316 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -391.150274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.150274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.659475 (E_RNA)
where:
Base-Base interactions energy: -271.311
where: short stacking energy: -104.339
Base-Backbone interact. energy: -0.016
local terms energy: -120.332495
where:
bonds (distance) C4'-P energy: -20.510
bonds (distance) P-C4' energy: -26.872
flat angles C4'-P-C4' energy: -27.407
flat angles P-C4'-P energy: -16.330
tors. eta vs tors. theta energy: -29.213
Dist. restrs. and SS energy: 0.509 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -361.258526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.258526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.415612 (E_RNA)
where:
Base-Base interactions energy: -238.009
where: short stacking energy: -94.297
Base-Backbone interact. energy: -0.217
local terms energy: -123.189437
where:
bonds (distance) C4'-P energy: -27.744
bonds (distance) P-C4' energy: -26.122
flat angles C4'-P-C4' energy: -26.807
flat angles P-C4'-P energy: -12.759
tors. eta vs tors. theta energy: -29.757
Dist. restrs. and SS energy: 0.157 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -363.692078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.692078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.945527 (E_RNA)
where:
Base-Base interactions energy: -252.809
where: short stacking energy: -97.418
Base-Backbone interact. energy: -0.282
local terms energy: -110.855184
where:
bonds (distance) C4'-P energy: -15.100
bonds (distance) P-C4' energy: -24.487
flat angles C4'-P-C4' energy: -29.217
flat angles P-C4'-P energy: -12.970
tors. eta vs tors. theta energy: -29.080
Dist. restrs. and SS energy: 0.253 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -358.079306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.079306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.227246 (E_RNA)
where:
Base-Base interactions energy: -242.190
where: short stacking energy: -92.944
Base-Backbone interact. energy: -2.247
local terms energy: -113.789865
where:
bonds (distance) C4'-P energy: -26.130
bonds (distance) P-C4' energy: -18.308
flat angles C4'-P-C4' energy: -26.670
flat angles P-C4'-P energy: -14.568
tors. eta vs tors. theta energy: -28.114
Dist. restrs. and SS energy: 0.148 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -322.726378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.726378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.903733 (E_RNA)
where:
Base-Base interactions energy: -220.395
where: short stacking energy: -93.446
Base-Backbone interact. energy: -0.030
local terms energy: -102.478195
where:
bonds (distance) C4'-P energy: -20.830
bonds (distance) P-C4' energy: -25.165
flat angles C4'-P-C4' energy: -21.865
flat angles P-C4'-P energy: -11.372
tors. eta vs tors. theta energy: -23.247
Dist. restrs. and SS energy: 0.177 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -316.736565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.736565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.205202 (E_RNA)
where:
Base-Base interactions energy: -223.697
where: short stacking energy: -83.475
Base-Backbone interact. energy: 1.377
local terms energy: -94.884750
where:
bonds (distance) C4'-P energy: -20.660
bonds (distance) P-C4' energy: -18.784
flat angles C4'-P-C4' energy: -25.353
flat angles P-C4'-P energy: -5.178
tors. eta vs tors. theta energy: -24.910
Dist. restrs. and SS energy: 0.469 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -408.871375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.871375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.976921 (E_RNA)
where:
Base-Base interactions energy: -269.680
where: short stacking energy: -109.249
Base-Backbone interact. energy: -0.473
local terms energy: -138.824682
where:
bonds (distance) C4'-P energy: -27.777
bonds (distance) P-C4' energy: -28.305
flat angles C4'-P-C4' energy: -27.678
flat angles P-C4'-P energy: -21.936
tors. eta vs tors. theta energy: -33.129
Dist. restrs. and SS energy: 0.106 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -420.179434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.179434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.320477 (E_RNA)
where:
Base-Base interactions energy: -297.199
where: short stacking energy: -116.007
Base-Backbone interact. energy: -0.953
local terms energy: -122.168783
where:
bonds (distance) C4'-P energy: -25.368
bonds (distance) P-C4' energy: -26.610
flat angles C4'-P-C4' energy: -19.683
flat angles P-C4'-P energy: -19.045
tors. eta vs tors. theta energy: -31.463
Dist. restrs. and SS energy: 0.141 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -409.730407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.730407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.165947 (E_RNA)
where:
Base-Base interactions energy: -278.710
where: short stacking energy: -109.143
Base-Backbone interact. energy: -0.316
local terms energy: -131.139860
where:
bonds (distance) C4'-P energy: -25.408
bonds (distance) P-C4' energy: -27.951
flat angles C4'-P-C4' energy: -28.048
flat angles P-C4'-P energy: -11.999
tors. eta vs tors. theta energy: -37.733
Dist. restrs. and SS energy: 0.436 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -398.531564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.531564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.676752 (E_RNA)
where:
Base-Base interactions energy: -272.690
where: short stacking energy: -109.916
Base-Backbone interact. energy: -1.146
local terms energy: -124.840615
where:
bonds (distance) C4'-P energy: -17.113
bonds (distance) P-C4' energy: -25.483
flat angles C4'-P-C4' energy: -28.343
flat angles P-C4'-P energy: -20.375
tors. eta vs tors. theta energy: -33.527
Dist. restrs. and SS energy: 0.145 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -380.714342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.714342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.774236 (E_RNA)
where:
Base-Base interactions energy: -261.068
where: short stacking energy: -108.061
Base-Backbone interact. energy: -1.073
local terms energy: -118.633644
where:
bonds (distance) C4'-P energy: -27.789
bonds (distance) P-C4' energy: -20.593
flat angles C4'-P-C4' energy: -28.009
flat angles P-C4'-P energy: -15.226
tors. eta vs tors. theta energy: -27.017
Dist. restrs. and SS energy: 0.060 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -353.831202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.831202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.089142 (E_RNA)
where:
Base-Base interactions energy: -229.256
where: short stacking energy: -92.561
Base-Backbone interact. energy: -0.295
local terms energy: -124.537694
where:
bonds (distance) C4'-P energy: -24.610
bonds (distance) P-C4' energy: -29.318
flat angles C4'-P-C4' energy: -29.022
flat angles P-C4'-P energy: -16.423
tors. eta vs tors. theta energy: -25.165
Dist. restrs. and SS energy: 0.258 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -344.449012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.449012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.450820 (E_RNA)
where:
Base-Base interactions energy: -224.606
where: short stacking energy: -90.962
Base-Backbone interact. energy: -2.795
local terms energy: -117.049853
where:
bonds (distance) C4'-P energy: -23.719
bonds (distance) P-C4' energy: -30.451
flat angles C4'-P-C4' energy: -25.416
flat angles P-C4'-P energy: -15.032
tors. eta vs tors. theta energy: -22.431
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -343.834444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.834444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.406268 (E_RNA)
where:
Base-Base interactions energy: -254.735
where: short stacking energy: -89.210
Base-Backbone interact. energy: 1.201
local terms energy: -91.871841
where:
bonds (distance) C4'-P energy: -15.565
bonds (distance) P-C4' energy: -19.569
flat angles C4'-P-C4' energy: -19.769
flat angles P-C4'-P energy: -7.690
tors. eta vs tors. theta energy: -29.279
Dist. restrs. and SS energy: 1.572 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -355.362632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.362632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.857785 (E_RNA)
where:
Base-Base interactions energy: -246.597
where: short stacking energy: -96.815
Base-Backbone interact. energy: 0.354
local terms energy: -109.614907
where:
bonds (distance) C4'-P energy: -24.196
bonds (distance) P-C4' energy: -24.711
flat angles C4'-P-C4' energy: -24.223
flat angles P-C4'-P energy: -14.018
tors. eta vs tors. theta energy: -22.466
Dist. restrs. and SS energy: 0.495 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -326.917247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.917247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.089761 (E_RNA)
where:
Base-Base interactions energy: -212.625
where: short stacking energy: -85.731
Base-Backbone interact. energy: -0.810
local terms energy: -113.654446
where:
bonds (distance) C4'-P energy: -28.240
bonds (distance) P-C4' energy: -22.487
flat angles C4'-P-C4' energy: -27.493
flat angles P-C4'-P energy: -15.350
tors. eta vs tors. theta energy: -20.084
Dist. restrs. and SS energy: 0.173 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -420.273040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.273040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.323557 (E_RNA)
where:
Base-Base interactions energy: -287.257
where: short stacking energy: -121.222
Base-Backbone interact. energy: -1.358
local terms energy: -131.708293
where:
bonds (distance) C4'-P energy: -26.207
bonds (distance) P-C4' energy: -26.610
flat angles C4'-P-C4' energy: -21.991
flat angles P-C4'-P energy: -17.456
tors. eta vs tors. theta energy: -39.444
Dist. restrs. and SS energy: 0.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -406.814171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.814171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.075255 (E_RNA)
where:
Base-Base interactions energy: -273.162
where: short stacking energy: -108.845
Base-Backbone interact. energy: 2.958
local terms energy: -136.870792
where:
bonds (distance) C4'-P energy: -26.643
bonds (distance) P-C4' energy: -24.550
flat angles C4'-P-C4' energy: -29.992
flat angles P-C4'-P energy: -19.846
tors. eta vs tors. theta energy: -35.839
Dist. restrs. and SS energy: 0.261 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -411.130325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.130325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.412807 (E_RNA)
where:
Base-Base interactions energy: -284.231
where: short stacking energy: -109.025
Base-Backbone interact. energy: 0.096
local terms energy: -127.277237
where:
bonds (distance) C4'-P energy: -25.531
bonds (distance) P-C4' energy: -28.284
flat angles C4'-P-C4' energy: -23.960
flat angles P-C4'-P energy: -18.808
tors. eta vs tors. theta energy: -30.693
Dist. restrs. and SS energy: 0.282 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -397.438210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.438210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.896217 (E_RNA)
where:
Base-Base interactions energy: -271.015
where: short stacking energy: -101.264
Base-Backbone interact. energy: -0.594
local terms energy: -126.287150
where:
bonds (distance) C4'-P energy: -26.563
bonds (distance) P-C4' energy: -25.308
flat angles C4'-P-C4' energy: -29.951
flat angles P-C4'-P energy: -16.516
tors. eta vs tors. theta energy: -27.949
Dist. restrs. and SS energy: 0.458 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -389.167230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.167230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.443263 (E_RNA)
where:
Base-Base interactions energy: -267.350
where: short stacking energy: -109.495
Base-Backbone interact. energy: -0.369
local terms energy: -121.724699
where:
bonds (distance) C4'-P energy: -21.000
bonds (distance) P-C4' energy: -21.956
flat angles C4'-P-C4' energy: -25.762
flat angles P-C4'-P energy: -18.191
tors. eta vs tors. theta energy: -34.816
Dist. restrs. and SS energy: 0.276 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -346.879375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.879375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.489346 (E_RNA)
where:
Base-Base interactions energy: -235.389
where: short stacking energy: -84.564
Base-Backbone interact. energy: -1.477
local terms energy: -110.623181
where:
bonds (distance) C4'-P energy: -26.147
bonds (distance) P-C4' energy: -26.148
flat angles C4'-P-C4' energy: -25.672
flat angles P-C4'-P energy: -15.119
tors. eta vs tors. theta energy: -17.537
Dist. restrs. and SS energy: 0.610 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -345.867853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.867853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.264488 (E_RNA)
where:
Base-Base interactions energy: -226.598
where: short stacking energy: -98.324
Base-Backbone interact. energy: -0.110
local terms energy: -119.556365
where:
bonds (distance) C4'-P energy: -24.948
bonds (distance) P-C4' energy: -25.139
flat angles C4'-P-C4' energy: -22.427
flat angles P-C4'-P energy: -22.370
tors. eta vs tors. theta energy: -24.673
Dist. restrs. and SS energy: 0.397 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -344.999536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.999536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.259502 (E_RNA)
where:
Base-Base interactions energy: -242.597
where: short stacking energy: -96.192
Base-Backbone interact. energy: -0.097
local terms energy: -103.565462
where:
bonds (distance) C4'-P energy: -25.335
bonds (distance) P-C4' energy: -21.862
flat angles C4'-P-C4' energy: -16.072
flat angles P-C4'-P energy: -12.666
tors. eta vs tors. theta energy: -27.629
Dist. restrs. and SS energy: 1.260 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -322.750132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.750132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.363588 (E_RNA)
where:
Base-Base interactions energy: -204.860
where: short stacking energy: -80.009
Base-Backbone interact. energy: -0.939
local terms energy: -117.564856
where:
bonds (distance) C4'-P energy: -22.631
bonds (distance) P-C4' energy: -22.513
flat angles C4'-P-C4' energy: -28.704
flat angles P-C4'-P energy: -16.325
tors. eta vs tors. theta energy: -27.392
Dist. restrs. and SS energy: 0.613 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -325.280789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.280789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.125022 (E_RNA)
where:
Base-Base interactions energy: -221.231
where: short stacking energy: -79.081
Base-Backbone interact. energy: -1.002
local terms energy: -103.892386
where:
bonds (distance) C4'-P energy: -23.194
bonds (distance) P-C4' energy: -23.275
flat angles C4'-P-C4' energy: -21.976
flat angles P-C4'-P energy: -18.953
tors. eta vs tors. theta energy: -16.494
Dist. restrs. and SS energy: 0.844 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -424.941889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.941889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.053639 (E_RNA)
where:
Base-Base interactions energy: -279.948
where: short stacking energy: -116.267
Base-Backbone interact. energy: -0.717
local terms energy: -144.389150
where:
bonds (distance) C4'-P energy: -31.337
bonds (distance) P-C4' energy: -30.981
flat angles C4'-P-C4' energy: -30.511
flat angles P-C4'-P energy: -15.680
tors. eta vs tors. theta energy: -35.880
Dist. restrs. and SS energy: 0.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -419.986910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.986910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.265994 (E_RNA)
where:
Base-Base interactions energy: -280.247
where: short stacking energy: -108.606
Base-Backbone interact. energy: -2.261
local terms energy: -137.758224
where:
bonds (distance) C4'-P energy: -24.413
bonds (distance) P-C4' energy: -30.525
flat angles C4'-P-C4' energy: -22.597
flat angles P-C4'-P energy: -21.541
tors. eta vs tors. theta energy: -38.682
Dist. restrs. and SS energy: 0.279 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -433.467794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.467794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.723440 (E_RNA)
where:
Base-Base interactions energy: -293.983
where: short stacking energy: -117.982
Base-Backbone interact. energy: -0.451
local terms energy: -139.289010
where:
bonds (distance) C4'-P energy: -24.939
bonds (distance) P-C4' energy: -29.794
flat angles C4'-P-C4' energy: -29.509
flat angles P-C4'-P energy: -20.402
tors. eta vs tors. theta energy: -34.645
Dist. restrs. and SS energy: 0.256 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -387.885256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.885256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.512468 (E_RNA)
where:
Base-Base interactions energy: -264.395
where: short stacking energy: -106.733
Base-Backbone interact. energy: -0.632
local terms energy: -123.485545
where:
bonds (distance) C4'-P energy: -26.656
bonds (distance) P-C4' energy: -23.206
flat angles C4'-P-C4' energy: -25.868
flat angles P-C4'-P energy: -17.028
tors. eta vs tors. theta energy: -30.727
Dist. restrs. and SS energy: 0.627 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -362.976694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.976694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.128164 (E_RNA)
where:
Base-Base interactions energy: -246.638
where: short stacking energy: -100.225
Base-Backbone interact. energy: -0.404
local terms energy: -116.085294
where:
bonds (distance) C4'-P energy: -26.195
bonds (distance) P-C4' energy: -20.242
flat angles C4'-P-C4' energy: -28.431
flat angles P-C4'-P energy: -14.568
tors. eta vs tors. theta energy: -26.650
Dist. restrs. and SS energy: 0.151 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -369.446231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.446231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.275218 (E_RNA)
where:
Base-Base interactions energy: -251.686
where: short stacking energy: -103.706
Base-Backbone interact. energy: -0.224
local terms energy: -118.365281
where:
bonds (distance) C4'-P energy: -25.171
bonds (distance) P-C4' energy: -20.728
flat angles C4'-P-C4' energy: -29.794
flat angles P-C4'-P energy: -15.967
tors. eta vs tors. theta energy: -26.705
Dist. restrs. and SS energy: 0.829 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -365.409514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.409514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.033086 (E_RNA)
where:
Base-Base interactions energy: -249.816
where: short stacking energy: -103.335
Base-Backbone interact. energy: -0.838
local terms energy: -115.378833
where:
bonds (distance) C4'-P energy: -26.307
bonds (distance) P-C4' energy: -20.510
flat angles C4'-P-C4' energy: -24.453
flat angles P-C4'-P energy: -20.151
tors. eta vs tors. theta energy: -23.957
Dist. restrs. and SS energy: 0.624 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -340.815305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.815305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.998347 (E_RNA)
where:
Base-Base interactions energy: -239.111
where: short stacking energy: -99.781
Base-Backbone interact. energy: 0.264
local terms energy: -102.151882
where:
bonds (distance) C4'-P energy: -20.509
bonds (distance) P-C4' energy: -15.267
flat angles C4'-P-C4' energy: -23.696
flat angles P-C4'-P energy: -15.298
tors. eta vs tors. theta energy: -27.381
Dist. restrs. and SS energy: 0.183 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -352.908232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.908232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.194583 (E_RNA)
where:
Base-Base interactions energy: -238.926
where: short stacking energy: -88.769
Base-Backbone interact. energy: -0.492
local terms energy: -113.776513
where:
bonds (distance) C4'-P energy: -24.560
bonds (distance) P-C4' energy: -28.248
flat angles C4'-P-C4' energy: -30.913
flat angles P-C4'-P energy: -9.995
tors. eta vs tors. theta energy: -20.060
Dist. restrs. and SS energy: 0.286 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -325.627941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.627941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.720788 (E_RNA)
where:
Base-Base interactions energy: -217.689
where: short stacking energy: -80.727
Base-Backbone interact. energy: 0.018
local terms energy: -108.050202
where:
bonds (distance) C4'-P energy: -23.815
bonds (distance) P-C4' energy: -27.000
flat angles C4'-P-C4' energy: -17.897
flat angles P-C4'-P energy: -16.533
tors. eta vs tors. theta energy: -22.804
Dist. restrs. and SS energy: 0.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -423.505761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.505761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.804333 (E_RNA)
where:
Base-Base interactions energy: -287.897
where: short stacking energy: -120.583
Base-Backbone interact. energy: -0.661
local terms energy: -135.246543
where:
bonds (distance) C4'-P energy: -24.531
bonds (distance) P-C4' energy: -27.902
flat angles C4'-P-C4' energy: -27.110
flat angles P-C4'-P energy: -21.483
tors. eta vs tors. theta energy: -34.222
Dist. restrs. and SS energy: 0.299 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -428.690713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.690713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.820590 (E_RNA)
where:
Base-Base interactions energy: -297.493
where: short stacking energy: -122.932
Base-Backbone interact. energy: -0.293
local terms energy: -131.034136
where:
bonds (distance) C4'-P energy: -27.234
bonds (distance) P-C4' energy: -27.225
flat angles C4'-P-C4' energy: -29.761
flat angles P-C4'-P energy: -15.036
tors. eta vs tors. theta energy: -31.778
Dist. restrs. and SS energy: 0.130 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -416.236997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.236997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.318620 (E_RNA)
where:
Base-Base interactions energy: -284.813
where: short stacking energy: -118.828
Base-Backbone interact. energy: -0.358
local terms energy: -131.148088
where:
bonds (distance) C4'-P energy: -22.577
bonds (distance) P-C4' energy: -29.466
flat angles C4'-P-C4' energy: -30.588
flat angles P-C4'-P energy: -15.603
tors. eta vs tors. theta energy: -32.915
Dist. restrs. and SS energy: 0.082 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -359.680097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.680097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.788004 (E_RNA)
where:
Base-Base interactions energy: -238.333
where: short stacking energy: -100.338
Base-Backbone interact. energy: -0.014
local terms energy: -121.441380
where:
bonds (distance) C4'-P energy: -23.260
bonds (distance) P-C4' energy: -28.509
flat angles C4'-P-C4' energy: -25.180
flat angles P-C4'-P energy: -18.792
tors. eta vs tors. theta energy: -25.699
Dist. restrs. and SS energy: 0.108 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -362.530183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.530183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.858677 (E_RNA)
where:
Base-Base interactions energy: -247.292
where: short stacking energy: -87.839
Base-Backbone interact. energy: 0.273
local terms energy: -115.839840
where:
bonds (distance) C4'-P energy: -24.507
bonds (distance) P-C4' energy: -28.138
flat angles C4'-P-C4' energy: -28.360
flat angles P-C4'-P energy: -11.428
tors. eta vs tors. theta energy: -23.408
Dist. restrs. and SS energy: 0.328 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -370.755193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.755193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.304649 (E_RNA)
where:
Base-Base interactions energy: -252.948
where: short stacking energy: -94.970
Base-Backbone interact. energy: 0.463
local terms energy: -118.820488
where:
bonds (distance) C4'-P energy: -28.858
bonds (distance) P-C4' energy: -28.714
flat angles C4'-P-C4' energy: -23.043
flat angles P-C4'-P energy: -12.167
tors. eta vs tors. theta energy: -26.038
Dist. restrs. and SS energy: 0.549 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -366.448308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.448308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.340307 (E_RNA)
where:
Base-Base interactions energy: -254.795
where: short stacking energy: -90.470
Base-Backbone interact. energy: 0.750
local terms energy: -113.295399
where:
bonds (distance) C4'-P energy: -24.484
bonds (distance) P-C4' energy: -26.591
flat angles C4'-P-C4' energy: -21.297
flat angles P-C4'-P energy: -16.732
tors. eta vs tors. theta energy: -24.191
Dist. restrs. and SS energy: 0.892 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -365.480349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.480349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.697450 (E_RNA)
where:
Base-Base interactions energy: -253.883
where: short stacking energy: -100.325
Base-Backbone interact. energy: -1.135
local terms energy: -110.679491
where:
bonds (distance) C4'-P energy: -19.780
bonds (distance) P-C4' energy: -20.122
flat angles C4'-P-C4' energy: -27.954
flat angles P-C4'-P energy: -14.637
tors. eta vs tors. theta energy: -28.186
Dist. restrs. and SS energy: 0.217 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -317.218670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.218670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.379172 (E_RNA)
where:
Base-Base interactions energy: -213.649
where: short stacking energy: -80.418
Base-Backbone interact. energy: -0.369
local terms energy: -103.361235
where:
bonds (distance) C4'-P energy: -24.287
bonds (distance) P-C4' energy: -21.707
flat angles C4'-P-C4' energy: -19.745
flat angles P-C4'-P energy: -18.745
tors. eta vs tors. theta energy: -18.877
Dist. restrs. and SS energy: 0.161 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -329.838258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.838258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.051762 (E_RNA)
where:
Base-Base interactions energy: -231.366
where: short stacking energy: -89.228
Base-Backbone interact. energy: -0.483
local terms energy: -98.202747
where:
bonds (distance) C4'-P energy: -18.946
bonds (distance) P-C4' energy: -19.314
flat angles C4'-P-C4' energy: -26.209
flat angles P-C4'-P energy: -14.193
tors. eta vs tors. theta energy: -19.541
Dist. restrs. and SS energy: 0.214 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -444.353048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.353048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.693885 (E_RNA)
where:
Base-Base interactions energy: -304.019
where: short stacking energy: -118.264
Base-Backbone interact. energy: -0.584
local terms energy: -140.091122
where:
bonds (distance) C4'-P energy: -24.852
bonds (distance) P-C4' energy: -28.862
flat angles C4'-P-C4' energy: -29.489
flat angles P-C4'-P energy: -20.811
tors. eta vs tors. theta energy: -36.077
Dist. restrs. and SS energy: 0.341 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -404.934864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.934864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.215178 (E_RNA)
where:
Base-Base interactions energy: -273.480
where: short stacking energy: -109.757
Base-Backbone interact. energy: -0.955
local terms energy: -130.779602
where:
bonds (distance) C4'-P energy: -25.604
bonds (distance) P-C4' energy: -26.100
flat angles C4'-P-C4' energy: -32.446
flat angles P-C4'-P energy: -12.756
tors. eta vs tors. theta energy: -33.874
Dist. restrs. and SS energy: 0.280 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -363.709588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.709588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.754311 (E_RNA)
where:
Base-Base interactions energy: -245.160
where: short stacking energy: -102.948
Base-Backbone interact. energy: -0.852
local terms energy: -117.742042
where:
bonds (distance) C4'-P energy: -29.852
bonds (distance) P-C4' energy: -24.801
flat angles C4'-P-C4' energy: -24.119
flat angles P-C4'-P energy: -14.006
tors. eta vs tors. theta energy: -24.963
Dist. restrs. and SS energy: 0.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -387.609098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.609098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.019084 (E_RNA)
where:
Base-Base interactions energy: -261.957
where: short stacking energy: -101.305
Base-Backbone interact. energy: -1.059
local terms energy: -125.002670
where:
bonds (distance) C4'-P energy: -21.882
bonds (distance) P-C4' energy: -24.873
flat angles C4'-P-C4' energy: -28.253
flat angles P-C4'-P energy: -21.084
tors. eta vs tors. theta energy: -28.910
Dist. restrs. and SS energy: 0.410 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -385.463884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.463884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.253797 (E_RNA)
where:
Base-Base interactions energy: -270.742
where: short stacking energy: -107.585
Base-Backbone interact. energy: 0.099
local terms energy: -115.609937
where:
bonds (distance) C4'-P energy: -26.733
bonds (distance) P-C4' energy: -22.889
flat angles C4'-P-C4' energy: -24.839
flat angles P-C4'-P energy: -11.044
tors. eta vs tors. theta energy: -30.105
Dist. restrs. and SS energy: 0.790 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -358.066302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.066302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.269884 (E_RNA)
where:
Base-Base interactions energy: -235.651
where: short stacking energy: -97.505
Base-Backbone interact. energy: -0.155
local terms energy: -122.463947
where:
bonds (distance) C4'-P energy: -27.822
bonds (distance) P-C4' energy: -27.043
flat angles C4'-P-C4' energy: -25.448
flat angles P-C4'-P energy: -16.689
tors. eta vs tors. theta energy: -25.463
Dist. restrs. and SS energy: 0.204 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -367.672502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.672502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.938039 (E_RNA)
where:
Base-Base interactions energy: -251.400
where: short stacking energy: -103.407
Base-Backbone interact. energy: 0.053
local terms energy: -116.591182
where:
bonds (distance) C4'-P energy: -18.609
bonds (distance) P-C4' energy: -24.451
flat angles C4'-P-C4' energy: -25.620
flat angles P-C4'-P energy: -11.924
tors. eta vs tors. theta energy: -35.988
Dist. restrs. and SS energy: 0.266 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -367.075836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.075836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.336079 (E_RNA)
where:
Base-Base interactions energy: -252.674
where: short stacking energy: -95.510
Base-Backbone interact. energy: -1.172
local terms energy: -113.490777
where:
bonds (distance) C4'-P energy: -22.565
bonds (distance) P-C4' energy: -22.939
flat angles C4'-P-C4' energy: -22.916
flat angles P-C4'-P energy: -18.574
tors. eta vs tors. theta energy: -26.497
Dist. restrs. and SS energy: 0.260 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -329.673606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.673606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.790963 (E_RNA)
where:
Base-Base interactions energy: -219.466
where: short stacking energy: -82.237
Base-Backbone interact. energy: 0.684
local terms energy: -111.008710
where:
bonds (distance) C4'-P energy: -21.327
bonds (distance) P-C4' energy: -31.097
flat angles C4'-P-C4' energy: -24.086
flat angles P-C4'-P energy: -15.661
tors. eta vs tors. theta energy: -18.838
Dist. restrs. and SS energy: 0.117 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -330.072296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.072296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.387646 (E_RNA)
where:
Base-Base interactions energy: -212.214
where: short stacking energy: -78.801
Base-Backbone interact. energy: -1.026
local terms energy: -117.147582
where:
bonds (distance) C4'-P energy: -27.392
bonds (distance) P-C4' energy: -19.873
flat angles C4'-P-C4' energy: -24.370
flat angles P-C4'-P energy: -20.683
tors. eta vs tors. theta energy: -24.830
Dist. restrs. and SS energy: 0.315 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -430.503180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.503180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.566162 (E_RNA)
where:
Base-Base interactions energy: -293.300
where: short stacking energy: -108.416
Base-Backbone interact. energy: -0.674
local terms energy: -136.592174
where:
bonds (distance) C4'-P energy: -23.428
bonds (distance) P-C4' energy: -28.646
flat angles C4'-P-C4' energy: -30.028
flat angles P-C4'-P energy: -24.569
tors. eta vs tors. theta energy: -29.920
Dist. restrs. and SS energy: 0.063 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -413.977067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.977067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.194827 (E_RNA)
where:
Base-Base interactions energy: -277.808
where: short stacking energy: -112.999
Base-Backbone interact. energy: -0.462
local terms energy: -135.925155
where:
bonds (distance) C4'-P energy: -23.905
bonds (distance) P-C4' energy: -28.779
flat angles C4'-P-C4' energy: -28.373
flat angles P-C4'-P energy: -21.998
tors. eta vs tors. theta energy: -32.870
Dist. restrs. and SS energy: 0.218 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -387.004768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.004768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.038196 (E_RNA)
where:
Base-Base interactions energy: -259.344
where: short stacking energy: -116.059
Base-Backbone interact. energy: -1.288
local terms energy: -126.406299
where:
bonds (distance) C4'-P energy: -27.923
bonds (distance) P-C4' energy: -17.028
flat angles C4'-P-C4' energy: -31.913
flat angles P-C4'-P energy: -18.220
tors. eta vs tors. theta energy: -31.322
Dist. restrs. and SS energy: 0.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -393.272352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.272352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.368084 (E_RNA)
where:
Base-Base interactions energy: -258.672
where: short stacking energy: -108.137
Base-Backbone interact. energy: -0.723
local terms energy: -133.972719
where:
bonds (distance) C4'-P energy: -29.181
bonds (distance) P-C4' energy: -25.362
flat angles C4'-P-C4' energy: -26.133
flat angles P-C4'-P energy: -16.126
tors. eta vs tors. theta energy: -37.171
Dist. restrs. and SS energy: 0.096 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -389.145460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.145460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.414609 (E_RNA)
where:
Base-Base interactions energy: -260.150
where: short stacking energy: -98.199
Base-Backbone interact. energy: -1.444
local terms energy: -127.820186
where:
bonds (distance) C4'-P energy: -21.467
bonds (distance) P-C4' energy: -28.887
flat angles C4'-P-C4' energy: -27.626
flat angles P-C4'-P energy: -16.968
tors. eta vs tors. theta energy: -32.872
Dist. restrs. and SS energy: 0.269 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -366.858897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.858897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.005735 (E_RNA)
where:
Base-Base interactions energy: -243.951
where: short stacking energy: -91.451
Base-Backbone interact. energy: -0.543
local terms energy: -122.511602
where:
bonds (distance) C4'-P energy: -23.642
bonds (distance) P-C4' energy: -27.152
flat angles C4'-P-C4' energy: -27.513
flat angles P-C4'-P energy: -17.655
tors. eta vs tors. theta energy: -26.550
Dist. restrs. and SS energy: 0.147 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -357.642961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.642961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.999638 (E_RNA)
where:
Base-Base interactions energy: -241.949
where: short stacking energy: -96.393
Base-Backbone interact. energy: -0.355
local terms energy: -115.695823
where:
bonds (distance) C4'-P energy: -22.451
bonds (distance) P-C4' energy: -23.020
flat angles C4'-P-C4' energy: -26.623
flat angles P-C4'-P energy: -18.056
tors. eta vs tors. theta energy: -25.545
Dist. restrs. and SS energy: 0.357 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -332.732205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.732205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.258884 (E_RNA)
where:
Base-Base interactions energy: -234.749
where: short stacking energy: -88.702
Base-Backbone interact. energy: -0.594
local terms energy: -97.915695
where:
bonds (distance) C4'-P energy: -13.120
bonds (distance) P-C4' energy: -24.119
flat angles C4'-P-C4' energy: -19.349
flat angles P-C4'-P energy: -18.082
tors. eta vs tors. theta energy: -23.246
Dist. restrs. and SS energy: 0.527 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -339.679638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.679638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.039133 (E_RNA)
where:
Base-Base interactions energy: -229.580
where: short stacking energy: -96.020
Base-Backbone interact. energy: -0.529
local terms energy: -109.929990
where:
bonds (distance) C4'-P energy: -18.629
bonds (distance) P-C4' energy: -20.292
flat angles C4'-P-C4' energy: -23.923
flat angles P-C4'-P energy: -20.134
tors. eta vs tors. theta energy: -26.952
Dist. restrs. and SS energy: 0.359 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -315.100324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.100324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.244212 (E_RNA)
where:
Base-Base interactions energy: -211.415
where: short stacking energy: -79.043
Base-Backbone interact. energy: 0.209
local terms energy: -104.038568
where:
bonds (distance) C4'-P energy: -23.812
bonds (distance) P-C4' energy: -22.366
flat angles C4'-P-C4' energy: -28.512
flat angles P-C4'-P energy: -10.968
tors. eta vs tors. theta energy: -18.380
Dist. restrs. and SS energy: 0.144 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -444.917844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.917844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.023617 (E_RNA)
where:
Base-Base interactions energy: -307.742
where: short stacking energy: -110.002
Base-Backbone interact. energy: -0.061
local terms energy: -137.220898
where:
bonds (distance) C4'-P energy: -27.599
bonds (distance) P-C4' energy: -30.614
flat angles C4'-P-C4' energy: -30.752
flat angles P-C4'-P energy: -17.969
tors. eta vs tors. theta energy: -30.286
Dist. restrs. and SS energy: 0.106 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -416.370789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.370789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.553356 (E_RNA)
where:
Base-Base interactions energy: -276.222
where: short stacking energy: -112.139
Base-Backbone interact. energy: -0.631
local terms energy: -139.700624
where:
bonds (distance) C4'-P energy: -27.944
bonds (distance) P-C4' energy: -32.065
flat angles C4'-P-C4' energy: -27.874
flat angles P-C4'-P energy: -16.762
tors. eta vs tors. theta energy: -35.056
Dist. restrs. and SS energy: 0.183 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -400.195159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.195159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.593966 (E_RNA)
where:
Base-Base interactions energy: -276.685
where: short stacking energy: -107.803
Base-Backbone interact. energy: -0.154
local terms energy: -123.754799
where:
bonds (distance) C4'-P energy: -22.403
bonds (distance) P-C4' energy: -27.771
flat angles C4'-P-C4' energy: -27.957
flat angles P-C4'-P energy: -15.036
tors. eta vs tors. theta energy: -30.587
Dist. restrs. and SS energy: 0.399 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -360.874269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.874269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.124912 (E_RNA)
where:
Base-Base interactions energy: -239.203
where: short stacking energy: -92.666
Base-Backbone interact. energy: -0.865
local terms energy: -121.057198
where:
bonds (distance) C4'-P energy: -29.959
bonds (distance) P-C4' energy: -26.777
flat angles C4'-P-C4' energy: -30.431
flat angles P-C4'-P energy: -13.280
tors. eta vs tors. theta energy: -20.609
Dist. restrs. and SS energy: 0.251 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -387.313113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.313113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.468689 (E_RNA)
where:
Base-Base interactions energy: -257.007
where: short stacking energy: -112.118
Base-Backbone interact. energy: -0.172
local terms energy: -130.289467
where:
bonds (distance) C4'-P energy: -22.625
bonds (distance) P-C4' energy: -25.989
flat angles C4'-P-C4' energy: -26.744
flat angles P-C4'-P energy: -18.855
tors. eta vs tors. theta energy: -36.076
Dist. restrs. and SS energy: 0.156 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -348.795624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.795624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.405884 (E_RNA)
where:
Base-Base interactions energy: -221.455
where: short stacking energy: -89.988
Base-Backbone interact. energy: 1.551
local terms energy: -129.501402
where:
bonds (distance) C4'-P energy: -24.854
bonds (distance) P-C4' energy: -28.998
flat angles C4'-P-C4' energy: -31.299
flat angles P-C4'-P energy: -18.774
tors. eta vs tors. theta energy: -25.576
Dist. restrs. and SS energy: 0.610 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -361.810351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.810351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.171765 (E_RNA)
where:
Base-Base interactions energy: -233.446
where: short stacking energy: -95.479
Base-Backbone interact. energy: -1.374
local terms energy: -128.351754
where:
bonds (distance) C4'-P energy: -24.872
bonds (distance) P-C4' energy: -28.815
flat angles C4'-P-C4' energy: -25.320
flat angles P-C4'-P energy: -18.441
tors. eta vs tors. theta energy: -30.903
Dist. restrs. and SS energy: 1.361 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -335.866386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.866386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.161695 (E_RNA)
where:
Base-Base interactions energy: -227.036
where: short stacking energy: -93.134
Base-Backbone interact. energy: -0.499
local terms energy: -108.626656
where:
bonds (distance) C4'-P energy: -26.426
bonds (distance) P-C4' energy: -25.705
flat angles C4'-P-C4' energy: -19.410
flat angles P-C4'-P energy: -13.106
tors. eta vs tors. theta energy: -23.980
Dist. restrs. and SS energy: 0.295 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -339.961264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.961264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.798874 (E_RNA)
where:
Base-Base interactions energy: -230.279
where: short stacking energy: -86.347
Base-Backbone interact. energy: 1.281
local terms energy: -111.801042
where:
bonds (distance) C4'-P energy: -20.954
bonds (distance) P-C4' energy: -22.509
flat angles C4'-P-C4' energy: -27.036
flat angles P-C4'-P energy: -17.071
tors. eta vs tors. theta energy: -24.231
Dist. restrs. and SS energy: 0.838 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -274.050250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.050250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.405662 (E_RNA)
where:
Base-Base interactions energy: -173.748
where: short stacking energy: -70.570
Base-Backbone interact. energy: 1.717
local terms energy: -103.375112
where:
bonds (distance) C4'-P energy: -24.519
bonds (distance) P-C4' energy: -18.674
flat angles C4'-P-C4' energy: -25.813
flat angles P-C4'-P energy: -18.261
tors. eta vs tors. theta energy: -16.108
Dist. restrs. and SS energy: 1.355 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -444.182236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.182236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.460191 (E_RNA)
where:
Base-Base interactions energy: -309.759
where: short stacking energy: -111.159
Base-Backbone interact. energy: -0.070
local terms energy: -134.631577
where:
bonds (distance) C4'-P energy: -30.208
bonds (distance) P-C4' energy: -31.119
flat angles C4'-P-C4' energy: -28.664
flat angles P-C4'-P energy: -15.387
tors. eta vs tors. theta energy: -29.254
Dist. restrs. and SS energy: 0.278 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -415.093143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.093143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.327228 (E_RNA)
where:
Base-Base interactions energy: -280.133
where: short stacking energy: -106.797
Base-Backbone interact. energy: -1.144
local terms energy: -134.050881
where:
bonds (distance) C4'-P energy: -27.363
bonds (distance) P-C4' energy: -27.801
flat angles C4'-P-C4' energy: -28.127
flat angles P-C4'-P energy: -19.107
tors. eta vs tors. theta energy: -31.653
Dist. restrs. and SS energy: 0.234 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -404.579523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.579523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.921608 (E_RNA)
where:
Base-Base interactions energy: -264.955
where: short stacking energy: -121.357
Base-Backbone interact. energy: -1.523
local terms energy: -138.443889
where:
bonds (distance) C4'-P energy: -30.953
bonds (distance) P-C4' energy: -25.544
flat angles C4'-P-C4' energy: -26.956
flat angles P-C4'-P energy: -17.964
tors. eta vs tors. theta energy: -37.027
Dist. restrs. and SS energy: 0.342 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -385.820266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.820266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.256299 (E_RNA)
where:
Base-Base interactions energy: -251.281
where: short stacking energy: -111.959
Base-Backbone interact. energy: -0.791
local terms energy: -134.184247
where:
bonds (distance) C4'-P energy: -28.978
bonds (distance) P-C4' energy: -30.210
flat angles C4'-P-C4' energy: -25.862
flat angles P-C4'-P energy: -13.626
tors. eta vs tors. theta energy: -35.508
Dist. restrs. and SS energy: 0.436 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -350.831401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.831401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.887012 (E_RNA)
where:
Base-Base interactions energy: -248.767
where: short stacking energy: -100.342
Base-Backbone interact. energy: 1.330
local terms energy: -103.450507
where:
bonds (distance) C4'-P energy: -23.860
bonds (distance) P-C4' energy: -22.783
flat angles C4'-P-C4' energy: -20.485
flat angles P-C4'-P energy: -12.158
tors. eta vs tors. theta energy: -24.164
Dist. restrs. and SS energy: 0.056 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -355.858186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.858186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.135567 (E_RNA)
where:
Base-Base interactions energy: -237.257
where: short stacking energy: -94.712
Base-Backbone interact. energy: 0.266
local terms energy: -119.143919
where:
bonds (distance) C4'-P energy: -29.786
bonds (distance) P-C4' energy: -21.283
flat angles C4'-P-C4' energy: -26.851
flat angles P-C4'-P energy: -14.996
tors. eta vs tors. theta energy: -26.229
Dist. restrs. and SS energy: 0.277 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -333.624146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.624146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.925677 (E_RNA)
where:
Base-Base interactions energy: -224.543
where: short stacking energy: -82.857
Base-Backbone interact. energy: -0.118
local terms energy: -109.265470
where:
bonds (distance) C4'-P energy: -28.510
bonds (distance) P-C4' energy: -24.752
flat angles C4'-P-C4' energy: -16.165
flat angles P-C4'-P energy: -18.417
tors. eta vs tors. theta energy: -21.421
Dist. restrs. and SS energy: 0.302 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -352.709510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.709510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.821933 (E_RNA)
where:
Base-Base interactions energy: -246.297
where: short stacking energy: -95.913
Base-Backbone interact. energy: 0.128
local terms energy: -106.652577
where:
bonds (distance) C4'-P energy: -22.799
bonds (distance) P-C4' energy: -15.378
flat angles C4'-P-C4' energy: -30.240
flat angles P-C4'-P energy: -14.278
tors. eta vs tors. theta energy: -23.959
Dist. restrs. and SS energy: 0.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -352.426623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.426623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.856495 (E_RNA)
where:
Base-Base interactions energy: -241.455
where: short stacking energy: -101.110
Base-Backbone interact. energy: -0.938
local terms energy: -110.464183
where:
bonds (distance) C4'-P energy: -22.605
bonds (distance) P-C4' energy: -23.338
flat angles C4'-P-C4' energy: -25.286
flat angles P-C4'-P energy: -16.277
tors. eta vs tors. theta energy: -22.959
Dist. restrs. and SS energy: 0.430 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -317.728178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.728178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.786498 (E_RNA)
where:
Base-Base interactions energy: -226.106
where: short stacking energy: -80.893
Base-Backbone interact. energy: 1.230
local terms energy: -92.910056
where:
bonds (distance) C4'-P energy: -20.926
bonds (distance) P-C4' energy: -16.614
flat angles C4'-P-C4' energy: -24.460
flat angles P-C4'-P energy: -13.895
tors. eta vs tors. theta energy: -17.015
Dist. restrs. and SS energy: 0.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -421.039449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.039449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.089649 (E_RNA)
where:
Base-Base interactions energy: -290.494
where: short stacking energy: -114.948
Base-Backbone interact. energy: -0.869
local terms energy: -129.726205
where:
bonds (distance) C4'-P energy: -24.361
bonds (distance) P-C4' energy: -28.537
flat angles C4'-P-C4' energy: -26.664
flat angles P-C4'-P energy: -14.020
tors. eta vs tors. theta energy: -36.144
Dist. restrs. and SS energy: 0.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -440.993076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.993076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.259535 (E_RNA)
where:
Base-Base interactions energy: -308.428
where: short stacking energy: -127.062
Base-Backbone interact. energy: -1.059
local terms energy: -131.771905
where:
bonds (distance) C4'-P energy: -28.822
bonds (distance) P-C4' energy: -27.050
flat angles C4'-P-C4' energy: -27.553
flat angles P-C4'-P energy: -18.732
tors. eta vs tors. theta energy: -29.615
Dist. restrs. and SS energy: 0.266 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -409.346176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.346176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.662048 (E_RNA)
where:
Base-Base interactions energy: -278.375
where: short stacking energy: -116.999
Base-Backbone interact. energy: -0.802
local terms energy: -130.485616
where:
bonds (distance) C4'-P energy: -29.106
bonds (distance) P-C4' energy: -20.099
flat angles C4'-P-C4' energy: -27.487
flat angles P-C4'-P energy: -20.835
tors. eta vs tors. theta energy: -32.959
Dist. restrs. and SS energy: 0.316 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -396.827233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.827233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.947558 (E_RNA)
where:
Base-Base interactions energy: -267.023
where: short stacking energy: -113.213
Base-Backbone interact. energy: -0.953
local terms energy: -128.971711
where:
bonds (distance) C4'-P energy: -24.619
bonds (distance) P-C4' energy: -21.565
flat angles C4'-P-C4' energy: -29.729
flat angles P-C4'-P energy: -19.969
tors. eta vs tors. theta energy: -33.089
Dist. restrs. and SS energy: 0.120 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -369.332075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.332075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.465454 (E_RNA)
where:
Base-Base interactions energy: -257.254
where: short stacking energy: -93.986
Base-Backbone interact. energy: -0.319
local terms energy: -111.892194
where:
bonds (distance) C4'-P energy: -28.088
bonds (distance) P-C4' energy: -23.481
flat angles C4'-P-C4' energy: -24.313
flat angles P-C4'-P energy: -11.995
tors. eta vs tors. theta energy: -24.016
Dist. restrs. and SS energy: 0.133 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -361.832444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.832444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.205747 (E_RNA)
where:
Base-Base interactions energy: -248.569
where: short stacking energy: -89.965
Base-Backbone interact. energy: 2.685
local terms energy: -116.321185
where:
bonds (distance) C4'-P energy: -19.407
bonds (distance) P-C4' energy: -25.712
flat angles C4'-P-C4' energy: -27.174
flat angles P-C4'-P energy: -20.758
tors. eta vs tors. theta energy: -23.271
Dist. restrs. and SS energy: 0.373 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -335.498046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.498046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.742207 (E_RNA)
where:
Base-Base interactions energy: -215.539
where: short stacking energy: -94.469
Base-Backbone interact. energy: 0.421
local terms energy: -120.624218
where:
bonds (distance) C4'-P energy: -26.341
bonds (distance) P-C4' energy: -23.703
flat angles C4'-P-C4' energy: -25.768
flat angles P-C4'-P energy: -18.410
tors. eta vs tors. theta energy: -26.402
Dist. restrs. and SS energy: 0.244 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -336.902902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.902902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.951520 (E_RNA)
where:
Base-Base interactions energy: -223.942
where: short stacking energy: -85.114
Base-Backbone interact. energy: -0.747
local terms energy: -112.263097
where:
bonds (distance) C4'-P energy: -18.515
bonds (distance) P-C4' energy: -25.015
flat angles C4'-P-C4' energy: -26.374
flat angles P-C4'-P energy: -19.051
tors. eta vs tors. theta energy: -23.307
Dist. restrs. and SS energy: 0.049 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -322.616390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.616390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.137553 (E_RNA)
where:
Base-Base interactions energy: -210.863
where: short stacking energy: -84.566
Base-Backbone interact. energy: -0.325
local terms energy: -111.949806
where:
bonds (distance) C4'-P energy: -26.603
bonds (distance) P-C4' energy: -27.338
flat angles C4'-P-C4' energy: -25.514
flat angles P-C4'-P energy: -13.436
tors. eta vs tors. theta energy: -19.058
Dist. restrs. and SS energy: 0.521 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -325.146353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.146353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.367888 (E_RNA)
where:
Base-Base interactions energy: -224.897
where: short stacking energy: -89.884
Base-Backbone interact. energy: 0.871
local terms energy: -101.341782
where:
bonds (distance) C4'-P energy: -11.520
bonds (distance) P-C4' energy: -22.533
flat angles C4'-P-C4' energy: -19.943
flat angles P-C4'-P energy: -21.848
tors. eta vs tors. theta energy: -25.498
Dist. restrs. and SS energy: 0.222 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -417.610664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.610664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.892898 (E_RNA)
where:
Base-Base interactions energy: -285.119
where: short stacking energy: -105.921
Base-Backbone interact. energy: -0.411
local terms energy: -132.362129
where:
bonds (distance) C4'-P energy: -28.315
bonds (distance) P-C4' energy: -26.807
flat angles C4'-P-C4' energy: -29.556
flat angles P-C4'-P energy: -16.680
tors. eta vs tors. theta energy: -31.004
Dist. restrs. and SS energy: 0.282 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -427.014147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.014147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.330897 (E_RNA)
where:
Base-Base interactions energy: -289.016
where: short stacking energy: -113.065
Base-Backbone interact. energy: -0.990
local terms energy: -137.325481
where:
bonds (distance) C4'-P energy: -29.570
bonds (distance) P-C4' energy: -31.732
flat angles C4'-P-C4' energy: -28.147
flat angles P-C4'-P energy: -17.796
tors. eta vs tors. theta energy: -30.080
Dist. restrs. and SS energy: 0.317 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -391.102273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.102273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.346250 (E_RNA)
where:
Base-Base interactions energy: -263.032
where: short stacking energy: -109.505
Base-Backbone interact. energy: -0.362
local terms energy: -127.952103
where:
bonds (distance) C4'-P energy: -18.151
bonds (distance) P-C4' energy: -31.577
flat angles C4'-P-C4' energy: -31.578
flat angles P-C4'-P energy: -17.396
tors. eta vs tors. theta energy: -29.250
Dist. restrs. and SS energy: 0.244 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -396.519653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.519653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.834853 (E_RNA)
where:
Base-Base interactions energy: -269.470
where: short stacking energy: -98.423
Base-Backbone interact. energy: -0.649
local terms energy: -126.716138
where:
bonds (distance) C4'-P energy: -22.798
bonds (distance) P-C4' energy: -26.676
flat angles C4'-P-C4' energy: -29.478
flat angles P-C4'-P energy: -15.793
tors. eta vs tors. theta energy: -31.971
Dist. restrs. and SS energy: 0.315 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -368.881067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.881067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.099466 (E_RNA)
where:
Base-Base interactions energy: -250.512
where: short stacking energy: -105.842
Base-Backbone interact. energy: -1.294
local terms energy: -117.293501
where:
bonds (distance) C4'-P energy: -23.658
bonds (distance) P-C4' energy: -23.923
flat angles C4'-P-C4' energy: -30.888
flat angles P-C4'-P energy: -13.668
tors. eta vs tors. theta energy: -25.157
Dist. restrs. and SS energy: 0.218 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -372.882921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.882921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.187184 (E_RNA)
where:
Base-Base interactions energy: -253.072
where: short stacking energy: -109.163
Base-Backbone interact. energy: -1.201
local terms energy: -118.914278
where:
bonds (distance) C4'-P energy: -24.682
bonds (distance) P-C4' energy: -22.250
flat angles C4'-P-C4' energy: -25.021
flat angles P-C4'-P energy: -19.584
tors. eta vs tors. theta energy: -27.378
Dist. restrs. and SS energy: 0.304 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -349.308082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.308082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.658003 (E_RNA)
where:
Base-Base interactions energy: -229.517
where: short stacking energy: -84.846
Base-Backbone interact. energy: -0.214
local terms energy: -119.927379
where:
bonds (distance) C4'-P energy: -32.012
bonds (distance) P-C4' energy: -26.420
flat angles C4'-P-C4' energy: -22.128
flat angles P-C4'-P energy: -11.984
tors. eta vs tors. theta energy: -27.383
Dist. restrs. and SS energy: 0.350 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -343.198208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.198208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.063832 (E_RNA)
where:
Base-Base interactions energy: -230.266
where: short stacking energy: -98.090
Base-Backbone interact. energy: -0.724
local terms energy: -113.073157
where:
bonds (distance) C4'-P energy: -23.140
bonds (distance) P-C4' energy: -26.091
flat angles C4'-P-C4' energy: -27.760
flat angles P-C4'-P energy: -8.671
tors. eta vs tors. theta energy: -27.411
Dist. restrs. and SS energy: 0.866 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -318.695386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.695386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.806082 (E_RNA)
where:
Base-Base interactions energy: -216.895
where: short stacking energy: -80.619
Base-Backbone interact. energy: -0.127
local terms energy: -101.784302
where:
bonds (distance) C4'-P energy: -22.093
bonds (distance) P-C4' energy: -22.045
flat angles C4'-P-C4' energy: -22.483
flat angles P-C4'-P energy: -16.232
tors. eta vs tors. theta energy: -18.932
Dist. restrs. and SS energy: 0.111 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -308.420916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.420916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.777028 (E_RNA)
where:
Base-Base interactions energy: -216.627
where: short stacking energy: -78.642
Base-Backbone interact. energy: 1.784
local terms energy: -95.934183
where:
bonds (distance) C4'-P energy: -24.925
bonds (distance) P-C4' energy: -24.431
flat angles C4'-P-C4' energy: -16.283
flat angles P-C4'-P energy: -11.051
tors. eta vs tors. theta energy: -19.244
Dist. restrs. and SS energy: 2.356 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -427.049854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.049854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.834002 (E_RNA)
where:
Base-Base interactions energy: -290.521
where: short stacking energy: -109.440
Base-Backbone interact. energy: -0.854
local terms energy: -136.458419
where:
bonds (distance) C4'-P energy: -28.025
bonds (distance) P-C4' energy: -28.072
flat angles C4'-P-C4' energy: -30.601
flat angles P-C4'-P energy: -17.577
tors. eta vs tors. theta energy: -32.184
Dist. restrs. and SS energy: 0.784 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -437.249571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.249571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.828121 (E_RNA)
where:
Base-Base interactions energy: -301.934
where: short stacking energy: -114.491
Base-Backbone interact. energy: -0.488
local terms energy: -135.406052
where:
bonds (distance) C4'-P energy: -28.676
bonds (distance) P-C4' energy: -27.916
flat angles C4'-P-C4' energy: -27.033
flat angles P-C4'-P energy: -17.604
tors. eta vs tors. theta energy: -34.176
Dist. restrs. and SS energy: 0.579 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -388.649786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.649786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.762117 (E_RNA)
where:
Base-Base interactions energy: -262.625
where: short stacking energy: -113.713
Base-Backbone interact. energy: -1.400
local terms energy: -124.737292
where:
bonds (distance) C4'-P energy: -27.577
bonds (distance) P-C4' energy: -26.440
flat angles C4'-P-C4' energy: -22.252
flat angles P-C4'-P energy: -15.815
tors. eta vs tors. theta energy: -32.652
Dist. restrs. and SS energy: 0.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -396.630687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.630687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.279683 (E_RNA)
where:
Base-Base interactions energy: -271.747
where: short stacking energy: -111.005
Base-Backbone interact. energy: 1.609
local terms energy: -127.141648
where:
bonds (distance) C4'-P energy: -27.355
bonds (distance) P-C4' energy: -22.226
flat angles C4'-P-C4' energy: -26.802
flat angles P-C4'-P energy: -19.122
tors. eta vs tors. theta energy: -31.636
Dist. restrs. and SS energy: 0.649 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -375.160743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.160743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.322246 (E_RNA)
where:
Base-Base interactions energy: -243.168
where: short stacking energy: -92.700
Base-Backbone interact. energy: 1.610
local terms energy: -133.764878
where:
bonds (distance) C4'-P energy: -28.080
bonds (distance) P-C4' energy: -29.527
flat angles C4'-P-C4' energy: -28.959
flat angles P-C4'-P energy: -20.867
tors. eta vs tors. theta energy: -26.332
Dist. restrs. and SS energy: 0.162 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -367.624643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.624643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.319749 (E_RNA)
where:
Base-Base interactions energy: -247.298
where: short stacking energy: -103.831
Base-Backbone interact. energy: -0.489
local terms energy: -120.533223
where:
bonds (distance) C4'-P energy: -24.171
bonds (distance) P-C4' energy: -24.293
flat angles C4'-P-C4' energy: -26.175
flat angles P-C4'-P energy: -14.144
tors. eta vs tors. theta energy: -31.750
Dist. restrs. and SS energy: 0.695 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -334.049013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.049013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.150107 (E_RNA)
where:
Base-Base interactions energy: -218.640
where: short stacking energy: -78.613
Base-Backbone interact. energy: 0.451
local terms energy: -115.960408
where:
bonds (distance) C4'-P energy: -20.688
bonds (distance) P-C4' energy: -30.789
flat angles C4'-P-C4' energy: -24.264
flat angles P-C4'-P energy: -19.043
tors. eta vs tors. theta energy: -21.175
Dist. restrs. and SS energy: 0.101 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -356.765485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.765485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.926956 (E_RNA)
where:
Base-Base interactions energy: -233.282
where: short stacking energy: -100.677
Base-Backbone interact. energy: -0.316
local terms energy: -123.329411
where:
bonds (distance) C4'-P energy: -22.259
bonds (distance) P-C4' energy: -25.042
flat angles C4'-P-C4' energy: -30.588
flat angles P-C4'-P energy: -17.014
tors. eta vs tors. theta energy: -28.428
Dist. restrs. and SS energy: 0.161 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -331.586295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.586295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.809596 (E_RNA)
where:
Base-Base interactions energy: -219.840
where: short stacking energy: -82.281
Base-Backbone interact. energy: -1.285
local terms energy: -110.684866
where:
bonds (distance) C4'-P energy: -23.919
bonds (distance) P-C4' energy: -24.627
flat angles C4'-P-C4' energy: -26.962
flat angles P-C4'-P energy: -12.047
tors. eta vs tors. theta energy: -23.130
Dist. restrs. and SS energy: 0.223 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -286.842954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.842954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.494372 (E_RNA)
where:
Base-Base interactions energy: -187.686
where: short stacking energy: -62.767
Base-Backbone interact. energy: -0.425
local terms energy: -99.383655
where:
bonds (distance) C4'-P energy: -23.107
bonds (distance) P-C4' energy: -28.824
flat angles C4'-P-C4' energy: -16.318
flat angles P-C4'-P energy: -16.471
tors. eta vs tors. theta energy: -14.663
Dist. restrs. and SS energy: 0.651 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -420.930698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.930698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.076208 (E_RNA)
where:
Base-Base interactions energy: -284.017
where: short stacking energy: -106.886
Base-Backbone interact. energy: -1.204
local terms energy: -135.855436
where:
bonds (distance) C4'-P energy: -29.661
bonds (distance) P-C4' energy: -27.682
flat angles C4'-P-C4' energy: -26.601
flat angles P-C4'-P energy: -21.168
tors. eta vs tors. theta energy: -30.743
Dist. restrs. and SS energy: 0.146 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -439.336711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.336711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.419253 (E_RNA)
where:
Base-Base interactions energy: -298.452
where: short stacking energy: -109.925
Base-Backbone interact. energy: -0.572
local terms energy: -140.395454
where:
bonds (distance) C4'-P energy: -30.844
bonds (distance) P-C4' energy: -26.325
flat angles C4'-P-C4' energy: -29.415
flat angles P-C4'-P energy: -23.570
tors. eta vs tors. theta energy: -30.241
Dist. restrs. and SS energy: 0.083 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -402.663123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.663123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.925057 (E_RNA)
where:
Base-Base interactions energy: -266.824
where: short stacking energy: -112.251
Base-Backbone interact. energy: -1.336
local terms energy: -134.764767
where:
bonds (distance) C4'-P energy: -22.602
bonds (distance) P-C4' energy: -29.395
flat angles C4'-P-C4' energy: -31.239
flat angles P-C4'-P energy: -19.274
tors. eta vs tors. theta energy: -32.255
Dist. restrs. and SS energy: 0.262 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -391.597413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.597413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.750709 (E_RNA)
where:
Base-Base interactions energy: -269.058
where: short stacking energy: -110.483
Base-Backbone interact. energy: -0.008
local terms energy: -122.685164
where:
bonds (distance) C4'-P energy: -24.603
bonds (distance) P-C4' energy: -26.815
flat angles C4'-P-C4' energy: -23.224
flat angles P-C4'-P energy: -17.958
tors. eta vs tors. theta energy: -30.086
Dist. restrs. and SS energy: 0.153 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -362.603498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.603498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.700457 (E_RNA)
where:
Base-Base interactions energy: -241.588
where: short stacking energy: -98.510
Base-Backbone interact. energy: -0.564
local terms energy: -120.548419
where:
bonds (distance) C4'-P energy: -27.107
bonds (distance) P-C4' energy: -26.105
flat angles C4'-P-C4' energy: -22.627
flat angles P-C4'-P energy: -19.804
tors. eta vs tors. theta energy: -24.905
Dist. restrs. and SS energy: 0.097 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -355.714773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.714773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.264485 (E_RNA)
where:
Base-Base interactions energy: -236.737
where: short stacking energy: -88.835
Base-Backbone interact. energy: -1.907
local terms energy: -117.621289
where:
bonds (distance) C4'-P energy: -22.972
bonds (distance) P-C4' energy: -27.310
flat angles C4'-P-C4' energy: -24.591
flat angles P-C4'-P energy: -18.957
tors. eta vs tors. theta energy: -23.792
Dist. restrs. and SS energy: 0.550 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -338.627167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.627167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.798100 (E_RNA)
where:
Base-Base interactions energy: -224.835
where: short stacking energy: -87.018
Base-Backbone interact. energy: -0.155
local terms energy: -113.807610
where:
bonds (distance) C4'-P energy: -25.791
bonds (distance) P-C4' energy: -20.701
flat angles C4'-P-C4' energy: -27.324
flat angles P-C4'-P energy: -18.278
tors. eta vs tors. theta energy: -21.714
Dist. restrs. and SS energy: 0.171 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -324.308144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.308144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.649557 (E_RNA)
where:
Base-Base interactions energy: -221.847
where: short stacking energy: -85.340
Base-Backbone interact. energy: 0.222
local terms energy: -103.024573
where:
bonds (distance) C4'-P energy: -19.353
bonds (distance) P-C4' energy: -25.426
flat angles C4'-P-C4' energy: -20.980
flat angles P-C4'-P energy: -17.955
tors. eta vs tors. theta energy: -19.310
Dist. restrs. and SS energy: 0.341 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -341.541215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.541215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.983233 (E_RNA)
where:
Base-Base interactions energy: -235.739
where: short stacking energy: -105.622
Base-Backbone interact. energy: -0.173
local terms energy: -106.071648
where:
bonds (distance) C4'-P energy: -19.256
bonds (distance) P-C4' energy: -22.048
flat angles C4'-P-C4' energy: -21.825
flat angles P-C4'-P energy: -13.149
tors. eta vs tors. theta energy: -29.793
Dist. restrs. and SS energy: 0.442 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -319.368937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.368937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.536498 (E_RNA)
where:
Base-Base interactions energy: -220.026
where: short stacking energy: -85.282
Base-Backbone interact. energy: 1.364
local terms energy: -100.873946
where:
bonds (distance) C4'-P energy: -20.897
bonds (distance) P-C4' energy: -20.667
flat angles C4'-P-C4' energy: -28.577
flat angles P-C4'-P energy: -14.885
tors. eta vs tors. theta energy: -15.848
Dist. restrs. and SS energy: 0.168 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -450.752967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.752967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.135047 (E_RNA)
where:
Base-Base interactions energy: -314.490
where: short stacking energy: -112.695
Base-Backbone interact. energy: -0.796
local terms energy: -135.848840
where:
bonds (distance) C4'-P energy: -24.425
bonds (distance) P-C4' energy: -29.790
flat angles C4'-P-C4' energy: -26.803
flat angles P-C4'-P energy: -20.860
tors. eta vs tors. theta energy: -33.971
Dist. restrs. and SS energy: 0.382 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -417.521243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.521243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.328938 (E_RNA)
where:
Base-Base interactions energy: -289.402
where: short stacking energy: -117.129
Base-Backbone interact. energy: -0.818
local terms energy: -128.108783
where:
bonds (distance) C4'-P energy: -29.103
bonds (distance) P-C4' energy: -27.304
flat angles C4'-P-C4' energy: -23.274
flat angles P-C4'-P energy: -14.957
tors. eta vs tors. theta energy: -33.472
Dist. restrs. and SS energy: 0.808 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -385.682047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.682047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.763393 (E_RNA)
where:
Base-Base interactions energy: -264.313
where: short stacking energy: -108.262
Base-Backbone interact. energy: -0.612
local terms energy: -120.838065
where:
bonds (distance) C4'-P energy: -26.813
bonds (distance) P-C4' energy: -22.370
flat angles C4'-P-C4' energy: -27.614
flat angles P-C4'-P energy: -17.311
tors. eta vs tors. theta energy: -26.730
Dist. restrs. and SS energy: 0.081 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -388.771482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.771482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.884073 (E_RNA)
where:
Base-Base interactions energy: -261.710
where: short stacking energy: -112.781
Base-Backbone interact. energy: 2.022
local terms energy: -129.196050
where:
bonds (distance) C4'-P energy: -27.376
bonds (distance) P-C4' energy: -25.177
flat angles C4'-P-C4' energy: -31.075
flat angles P-C4'-P energy: -13.338
tors. eta vs tors. theta energy: -32.229
Dist. restrs. and SS energy: 0.113 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -372.837456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.837456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.998174 (E_RNA)
where:
Base-Base interactions energy: -241.082
where: short stacking energy: -108.170
Base-Backbone interact. energy: -0.359
local terms energy: -131.556456
where:
bonds (distance) C4'-P energy: -25.539
bonds (distance) P-C4' energy: -26.924
flat angles C4'-P-C4' energy: -28.918
flat angles P-C4'-P energy: -18.207
tors. eta vs tors. theta energy: -31.969
Dist. restrs. and SS energy: 0.161 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -361.991915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.991915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.397525 (E_RNA)
where:
Base-Base interactions energy: -237.779
where: short stacking energy: -99.680
Base-Backbone interact. energy: -0.313
local terms energy: -124.305425
where:
bonds (distance) C4'-P energy: -25.320
bonds (distance) P-C4' energy: -21.861
flat angles C4'-P-C4' energy: -32.246
flat angles P-C4'-P energy: -20.629
tors. eta vs tors. theta energy: -24.249
Dist. restrs. and SS energy: 0.406 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -343.374038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.374038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.558069 (E_RNA)
where:
Base-Base interactions energy: -224.371
where: short stacking energy: -93.958
Base-Backbone interact. energy: -0.233
local terms energy: -118.953935
where:
bonds (distance) C4'-P energy: -26.369
bonds (distance) P-C4' energy: -20.559
flat angles C4'-P-C4' energy: -26.400
flat angles P-C4'-P energy: -20.382
tors. eta vs tors. theta energy: -25.244
Dist. restrs. and SS energy: 0.184 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -324.200984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.200984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.527196 (E_RNA)
where:
Base-Base interactions energy: -216.612
where: short stacking energy: -79.198
Base-Backbone interact. energy: -0.209
local terms energy: -107.705510
where:
bonds (distance) C4'-P energy: -19.700
bonds (distance) P-C4' energy: -26.751
flat angles C4'-P-C4' energy: -23.726
flat angles P-C4'-P energy: -16.244
tors. eta vs tors. theta energy: -21.284
Dist. restrs. and SS energy: 0.326 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -326.211054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.211054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.898593 (E_RNA)
where:
Base-Base interactions energy: -219.513
where: short stacking energy: -88.850
Base-Backbone interact. energy: 1.040
local terms energy: -108.425687
where:
bonds (distance) C4'-P energy: -19.398
bonds (distance) P-C4' energy: -27.334
flat angles C4'-P-C4' energy: -22.526
flat angles P-C4'-P energy: -14.686
tors. eta vs tors. theta energy: -24.482
Dist. restrs. and SS energy: 0.688 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -321.151233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.151233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.613927 (E_RNA)
where:
Base-Base interactions energy: -220.484
where: short stacking energy: -86.536
Base-Backbone interact. energy: -0.613
local terms energy: -100.516809
where:
bonds (distance) C4'-P energy: -23.459
bonds (distance) P-C4' energy: -26.984
flat angles C4'-P-C4' energy: -18.174
flat angles P-C4'-P energy: -6.059
tors. eta vs tors. theta energy: -25.841
Dist. restrs. and SS energy: 0.463 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -445.489927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.489927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.999164 (E_RNA)
where:
Base-Base interactions energy: -310.888
where: short stacking energy: -122.438
Base-Backbone interact. energy: -0.623
local terms energy: -134.487593
where:
bonds (distance) C4'-P energy: -21.152
bonds (distance) P-C4' energy: -23.684
flat angles C4'-P-C4' energy: -29.242
flat angles P-C4'-P energy: -25.410
tors. eta vs tors. theta energy: -35.000
Dist. restrs. and SS energy: 0.509 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -419.033731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.033731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.265984 (E_RNA)
where:
Base-Base interactions energy: -286.492
where: short stacking energy: -110.391
Base-Backbone interact. energy: -1.703
local terms energy: -131.071006
where:
bonds (distance) C4'-P energy: -17.678
bonds (distance) P-C4' energy: -26.124
flat angles C4'-P-C4' energy: -30.865
flat angles P-C4'-P energy: -22.979
tors. eta vs tors. theta energy: -33.425
Dist. restrs. and SS energy: 0.232 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -393.953374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.953374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.419508 (E_RNA)
where:
Base-Base interactions energy: -261.450
where: short stacking energy: -108.882
Base-Backbone interact. energy: -0.167
local terms energy: -132.803374
where:
bonds (distance) C4'-P energy: -24.820
bonds (distance) P-C4' energy: -28.702
flat angles C4'-P-C4' energy: -31.652
flat angles P-C4'-P energy: -15.632
tors. eta vs tors. theta energy: -31.997
Dist. restrs. and SS energy: 0.466 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -382.449838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.449838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.588174 (E_RNA)
where:
Base-Base interactions energy: -260.698
where: short stacking energy: -108.493
Base-Backbone interact. energy: -1.230
local terms energy: -120.660054
where:
bonds (distance) C4'-P energy: -18.889
bonds (distance) P-C4' energy: -29.521
flat angles C4'-P-C4' energy: -23.022
flat angles P-C4'-P energy: -17.370
tors. eta vs tors. theta energy: -31.858
Dist. restrs. and SS energy: 0.138 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -381.373245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.373245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.443386 (E_RNA)
where:
Base-Base interactions energy: -264.362
where: short stacking energy: -111.153
Base-Backbone interact. energy: 0.495
local terms energy: -117.576364
where:
bonds (distance) C4'-P energy: -23.934
bonds (distance) P-C4' energy: -20.163
flat angles C4'-P-C4' energy: -24.665
flat angles P-C4'-P energy: -16.858
tors. eta vs tors. theta energy: -31.957
Dist. restrs. and SS energy: 0.070 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -344.106716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.106716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.220396 (E_RNA)
where:
Base-Base interactions energy: -228.998
where: short stacking energy: -85.082
Base-Backbone interact. energy: -0.450
local terms energy: -114.773223
where:
bonds (distance) C4'-P energy: -24.880
bonds (distance) P-C4' energy: -25.927
flat angles C4'-P-C4' energy: -27.840
flat angles P-C4'-P energy: -13.344
tors. eta vs tors. theta energy: -22.783
Dist. restrs. and SS energy: 0.114 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -341.929762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.929762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.178551 (E_RNA)
where:
Base-Base interactions energy: -232.112
where: short stacking energy: -80.761
Base-Backbone interact. energy: -0.088
local terms energy: -109.978490
where:
bonds (distance) C4'-P energy: -19.812
bonds (distance) P-C4' energy: -22.383
flat angles C4'-P-C4' energy: -23.446
flat angles P-C4'-P energy: -18.584
tors. eta vs tors. theta energy: -25.754
Dist. restrs. and SS energy: 0.249 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -339.235069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.235069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.429176 (E_RNA)
where:
Base-Base interactions energy: -225.911
where: short stacking energy: -82.840
Base-Backbone interact. energy: -1.949
local terms energy: -111.569629
where:
bonds (distance) C4'-P energy: -24.415
bonds (distance) P-C4' energy: -20.732
flat angles C4'-P-C4' energy: -25.607
flat angles P-C4'-P energy: -18.592
tors. eta vs tors. theta energy: -22.223
Dist. restrs. and SS energy: 0.194 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -323.674867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.674867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.368268 (E_RNA)
where:
Base-Base interactions energy: -227.649
where: short stacking energy: -85.540
Base-Backbone interact. energy: 1.456
local terms energy: -98.175451
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -19.336
flat angles C4'-P-C4' energy: -26.240
flat angles P-C4'-P energy: -12.691
tors. eta vs tors. theta energy: -23.985
Dist. restrs. and SS energy: 0.693 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -328.353283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.353283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.620721 (E_RNA)
where:
Base-Base interactions energy: -221.762
where: short stacking energy: -82.190
Base-Backbone interact. energy: -1.338
local terms energy: -105.521080
where:
bonds (distance) C4'-P energy: -17.225
bonds (distance) P-C4' energy: -24.676
flat angles C4'-P-C4' energy: -24.567
flat angles P-C4'-P energy: -13.667
tors. eta vs tors. theta energy: -25.385
Dist. restrs. and SS energy: 0.267 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -413.110154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.110154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.596717 (E_RNA)
where:
Base-Base interactions energy: -284.228
where: short stacking energy: -119.946
Base-Backbone interact. energy: 2.285
local terms energy: -131.653172
where:
bonds (distance) C4'-P energy: -25.676
bonds (distance) P-C4' energy: -21.941
flat angles C4'-P-C4' energy: -30.261
flat angles P-C4'-P energy: -22.156
tors. eta vs tors. theta energy: -31.618
Dist. restrs. and SS energy: 0.487 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -434.397352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.397352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.872726 (E_RNA)
where:
Base-Base interactions energy: -302.421
where: short stacking energy: -103.994
Base-Backbone interact. energy: -0.602
local terms energy: -131.850023
where:
bonds (distance) C4'-P energy: -27.442
bonds (distance) P-C4' energy: -24.928
flat angles C4'-P-C4' energy: -26.020
flat angles P-C4'-P energy: -20.664
tors. eta vs tors. theta energy: -32.796
Dist. restrs. and SS energy: 0.475 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -405.842496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.842496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.277166 (E_RNA)
where:
Base-Base interactions energy: -277.604
where: short stacking energy: -108.403
Base-Backbone interact. energy: -1.092
local terms energy: -127.581021
where:
bonds (distance) C4'-P energy: -18.071
bonds (distance) P-C4' energy: -28.152
flat angles C4'-P-C4' energy: -26.814
flat angles P-C4'-P energy: -20.953
tors. eta vs tors. theta energy: -33.592
Dist. restrs. and SS energy: 0.435 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -400.475358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.475358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.774758 (E_RNA)
where:
Base-Base interactions energy: -269.688
where: short stacking energy: -104.430
Base-Backbone interact. energy: -0.415
local terms energy: -130.672131
where:
bonds (distance) C4'-P energy: -23.657
bonds (distance) P-C4' energy: -27.652
flat angles C4'-P-C4' energy: -29.060
flat angles P-C4'-P energy: -17.378
tors. eta vs tors. theta energy: -32.926
Dist. restrs. and SS energy: 0.299 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -364.284544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.284544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.311734 (E_RNA)
where:
Base-Base interactions energy: -247.241
where: short stacking energy: -97.832
Base-Backbone interact. energy: -0.001
local terms energy: -117.069099
where:
bonds (distance) C4'-P energy: -20.318
bonds (distance) P-C4' energy: -25.736
flat angles C4'-P-C4' energy: -26.699
flat angles P-C4'-P energy: -16.848
tors. eta vs tors. theta energy: -27.468
Dist. restrs. and SS energy: 0.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -361.983540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.983540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.399440 (E_RNA)
where:
Base-Base interactions energy: -235.241
where: short stacking energy: -87.069
Base-Backbone interact. energy: -1.007
local terms energy: -126.150690
where:
bonds (distance) C4'-P energy: -26.693
bonds (distance) P-C4' energy: -29.636
flat angles C4'-P-C4' energy: -25.837
flat angles P-C4'-P energy: -16.545
tors. eta vs tors. theta energy: -27.441
Dist. restrs. and SS energy: 0.416 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -335.269419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.269419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.877035 (E_RNA)
where:
Base-Base interactions energy: -219.866
where: short stacking energy: -86.921
Base-Backbone interact. energy: -0.329
local terms energy: -115.681829
where:
bonds (distance) C4'-P energy: -23.231
bonds (distance) P-C4' energy: -27.467
flat angles C4'-P-C4' energy: -23.785
flat angles P-C4'-P energy: -20.337
tors. eta vs tors. theta energy: -20.861
Dist. restrs. and SS energy: 0.608 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -322.905457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.905457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.258834 (E_RNA)
where:
Base-Base interactions energy: -203.789
where: short stacking energy: -84.005
Base-Backbone interact. energy: -0.418
local terms energy: -119.050964
where:
bonds (distance) C4'-P energy: -25.398
bonds (distance) P-C4' energy: -24.496
flat angles C4'-P-C4' energy: -22.275
flat angles P-C4'-P energy: -23.052
tors. eta vs tors. theta energy: -23.829
Dist. restrs. and SS energy: 0.353 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -332.939641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.939641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.223986 (E_RNA)
where:
Base-Base interactions energy: -227.625
where: short stacking energy: -85.528
Base-Backbone interact. energy: -0.518
local terms energy: -105.080844
where:
bonds (distance) C4'-P energy: -18.095
bonds (distance) P-C4' energy: -23.252
flat angles C4'-P-C4' energy: -27.721
flat angles P-C4'-P energy: -14.801
tors. eta vs tors. theta energy: -21.213
Dist. restrs. and SS energy: 0.284 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -329.370477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.370477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.195630 (E_RNA)
where:
Base-Base interactions energy: -225.009
where: short stacking energy: -89.010
Base-Backbone interact. energy: -0.200
local terms energy: -104.986720
where:
bonds (distance) C4'-P energy: -17.266
bonds (distance) P-C4' energy: -26.709
flat angles C4'-P-C4' energy: -24.956
flat angles P-C4'-P energy: -13.654
tors. eta vs tors. theta energy: -22.403
Dist. restrs. and SS energy: 0.825 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -419.640764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.640764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.955612 (E_RNA)
where:
Base-Base interactions energy: -285.204
where: short stacking energy: -114.510
Base-Backbone interact. energy: -0.435
local terms energy: -134.315882
where:
bonds (distance) C4'-P energy: -25.032
bonds (distance) P-C4' energy: -25.873
flat angles C4'-P-C4' energy: -32.132
flat angles P-C4'-P energy: -17.122
tors. eta vs tors. theta energy: -34.157
Dist. restrs. and SS energy: 0.315 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -433.535372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.535372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.875352 (E_RNA)
where:
Base-Base interactions energy: -296.270
where: short stacking energy: -108.298
Base-Backbone interact. energy: -1.700
local terms energy: -135.905661
where:
bonds (distance) C4'-P energy: -27.923
bonds (distance) P-C4' energy: -30.238
flat angles C4'-P-C4' energy: -30.699
flat angles P-C4'-P energy: -19.781
tors. eta vs tors. theta energy: -27.264
Dist. restrs. and SS energy: 0.340 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -394.761258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.761258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.989130 (E_RNA)
where:
Base-Base interactions energy: -268.852
where: short stacking energy: -109.403
Base-Backbone interact. energy: -0.620
local terms energy: -125.517214
where:
bonds (distance) C4'-P energy: -27.442
bonds (distance) P-C4' energy: -25.279
flat angles C4'-P-C4' energy: -23.047
flat angles P-C4'-P energy: -16.892
tors. eta vs tors. theta energy: -32.857
Dist. restrs. and SS energy: 0.228 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -395.935869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.935869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.973798 (E_RNA)
where:
Base-Base interactions energy: -268.000
where: short stacking energy: -109.390
Base-Backbone interact. energy: -0.243
local terms energy: -127.730921
where:
bonds (distance) C4'-P energy: -22.922
bonds (distance) P-C4' energy: -26.345
flat angles C4'-P-C4' energy: -28.077
flat angles P-C4'-P energy: -15.201
tors. eta vs tors. theta energy: -35.186
Dist. restrs. and SS energy: 0.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -357.020764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.020764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.561355 (E_RNA)
where:
Base-Base interactions energy: -246.648
where: short stacking energy: -91.427
Base-Backbone interact. energy: -0.579
local terms energy: -110.333733
where:
bonds (distance) C4'-P energy: -23.209
bonds (distance) P-C4' energy: -20.699
flat angles C4'-P-C4' energy: -22.617
flat angles P-C4'-P energy: -19.776
tors. eta vs tors. theta energy: -24.032
Dist. restrs. and SS energy: 0.541 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -366.324798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.324798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.622555 (E_RNA)
where:
Base-Base interactions energy: -250.258
where: short stacking energy: -107.590
Base-Backbone interact. energy: -0.164
local terms energy: -116.200278
where:
bonds (distance) C4'-P energy: -23.253
bonds (distance) P-C4' energy: -25.128
flat angles C4'-P-C4' energy: -25.842
flat angles P-C4'-P energy: -15.949
tors. eta vs tors. theta energy: -26.028
Dist. restrs. and SS energy: 0.298 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -337.732020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.732020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.054218 (E_RNA)
where:
Base-Base interactions energy: -222.708
where: short stacking energy: -91.589
Base-Backbone interact. energy: 0.658
local terms energy: -116.004325
where:
bonds (distance) C4'-P energy: -26.464
bonds (distance) P-C4' energy: -22.353
flat angles C4'-P-C4' energy: -24.724
flat angles P-C4'-P energy: -16.958
tors. eta vs tors. theta energy: -25.506
Dist. restrs. and SS energy: 0.322 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -321.362872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.362872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.542347 (E_RNA)
where:
Base-Base interactions energy: -211.400
where: short stacking energy: -85.602
Base-Backbone interact. energy: -0.795
local terms energy: -109.347331
where:
bonds (distance) C4'-P energy: -21.782
bonds (distance) P-C4' energy: -22.919
flat angles C4'-P-C4' energy: -25.092
flat angles P-C4'-P energy: -20.909
tors. eta vs tors. theta energy: -18.645
Dist. restrs. and SS energy: 0.179 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -341.370132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.370132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.947196 (E_RNA)
where:
Base-Base interactions energy: -234.915
where: short stacking energy: -93.883
Base-Backbone interact. energy: 0.021
local terms energy: -107.052717
where:
bonds (distance) C4'-P energy: -19.145
bonds (distance) P-C4' energy: -26.479
flat angles C4'-P-C4' energy: -19.905
flat angles P-C4'-P energy: -14.764
tors. eta vs tors. theta energy: -26.760
Dist. restrs. and SS energy: 0.577 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -324.292905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.292905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.912240 (E_RNA)
where:
Base-Base interactions energy: -217.735
where: short stacking energy: -87.102
Base-Backbone interact. energy: -0.242
local terms energy: -106.934953
where:
bonds (distance) C4'-P energy: -25.110
bonds (distance) P-C4' energy: -20.470
flat angles C4'-P-C4' energy: -24.432
flat angles P-C4'-P energy: -15.779
tors. eta vs tors. theta energy: -21.144
Dist. restrs. and SS energy: 0.619 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -442.146048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.146048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.196875 (E_RNA)
where:
Base-Base interactions energy: -299.627
where: short stacking energy: -114.806
Base-Backbone interact. energy: 0.461
local terms energy: -143.031183
where:
bonds (distance) C4'-P energy: -29.760
bonds (distance) P-C4' energy: -27.000
flat angles C4'-P-C4' energy: -28.969
flat angles P-C4'-P energy: -25.100
tors. eta vs tors. theta energy: -32.202
Dist. restrs. and SS energy: 0.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -420.614551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.614551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.047493 (E_RNA)
where:
Base-Base interactions energy: -286.941
where: short stacking energy: -116.381
Base-Backbone interact. energy: -0.299
local terms energy: -133.807713
where:
bonds (distance) C4'-P energy: -25.268
bonds (distance) P-C4' energy: -28.705
flat angles C4'-P-C4' energy: -29.246
flat angles P-C4'-P energy: -14.107
tors. eta vs tors. theta energy: -36.482
Dist. restrs. and SS energy: 0.433 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -392.664627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.664627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.697500 (E_RNA)
where:
Base-Base interactions energy: -260.320
where: short stacking energy: -108.623
Base-Backbone interact. energy: -0.184
local terms energy: -133.193528
where:
bonds (distance) C4'-P energy: -27.157
bonds (distance) P-C4' energy: -26.292
flat angles C4'-P-C4' energy: -29.086
flat angles P-C4'-P energy: -16.776
tors. eta vs tors. theta energy: -33.883
Dist. restrs. and SS energy: 1.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -401.429893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.429893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.091379 (E_RNA)
where:
Base-Base interactions energy: -270.494
where: short stacking energy: -107.238
Base-Backbone interact. energy: -1.053
local terms energy: -130.544701
where:
bonds (distance) C4'-P energy: -20.931
bonds (distance) P-C4' energy: -29.685
flat angles C4'-P-C4' energy: -28.004
flat angles P-C4'-P energy: -18.621
tors. eta vs tors. theta energy: -33.303
Dist. restrs. and SS energy: 0.661 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -379.139423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.139423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.334265 (E_RNA)
where:
Base-Base interactions energy: -259.180
where: short stacking energy: -113.534
Base-Backbone interact. energy: -0.732
local terms energy: -119.421452
where:
bonds (distance) C4'-P energy: -23.767
bonds (distance) P-C4' energy: -25.773
flat angles C4'-P-C4' energy: -27.162
flat angles P-C4'-P energy: -12.021
tors. eta vs tors. theta energy: -30.699
Dist. restrs. and SS energy: 0.195 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -361.979655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.979655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.156020 (E_RNA)
where:
Base-Base interactions energy: -241.168
where: short stacking energy: -100.888
Base-Backbone interact. energy: -0.227
local terms energy: -120.761513
where:
bonds (distance) C4'-P energy: -22.370
bonds (distance) P-C4' energy: -19.995
flat angles C4'-P-C4' energy: -28.501
flat angles P-C4'-P energy: -20.765
tors. eta vs tors. theta energy: -29.131
Dist. restrs. and SS energy: 0.176 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -335.821308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.821308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.305659 (E_RNA)
where:
Base-Base interactions energy: -226.192
where: short stacking energy: -90.492
Base-Backbone interact. energy: 0.188
local terms energy: -110.302021
where:
bonds (distance) C4'-P energy: -16.269
bonds (distance) P-C4' energy: -23.328
flat angles C4'-P-C4' energy: -30.365
flat angles P-C4'-P energy: -14.887
tors. eta vs tors. theta energy: -25.454
Dist. restrs. and SS energy: 0.484 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -346.105021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.105021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.145646 (E_RNA)
where:
Base-Base interactions energy: -239.059
where: short stacking energy: -87.898
Base-Backbone interact. energy: -1.513
local terms energy: -105.573767
where:
bonds (distance) C4'-P energy: -18.442
bonds (distance) P-C4' energy: -21.901
flat angles C4'-P-C4' energy: -25.154
flat angles P-C4'-P energy: -16.308
tors. eta vs tors. theta energy: -23.769
Dist. restrs. and SS energy: 0.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -343.991325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.991325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.189365 (E_RNA)
where:
Base-Base interactions energy: -234.689
where: short stacking energy: -100.594
Base-Backbone interact. energy: -1.078
local terms energy: -108.422455
where:
bonds (distance) C4'-P energy: -22.482
bonds (distance) P-C4' energy: -22.172
flat angles C4'-P-C4' energy: -23.381
flat angles P-C4'-P energy: -12.570
tors. eta vs tors. theta energy: -27.818
Dist. restrs. and SS energy: 0.198 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -321.624652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.624652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.823373 (E_RNA)
where:
Base-Base interactions energy: -220.062
where: short stacking energy: -81.772
Base-Backbone interact. energy: -0.709
local terms energy: -101.051871
where:
bonds (distance) C4'-P energy: -22.449
bonds (distance) P-C4' energy: -13.592
flat angles C4'-P-C4' energy: -30.293
flat angles P-C4'-P energy: -17.303
tors. eta vs tors. theta energy: -17.416
Dist. restrs. and SS energy: 0.199 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -438.411762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.411762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.515227 (E_RNA)
where:
Base-Base interactions energy: -300.170
where: short stacking energy: -111.289
Base-Backbone interact. energy: -0.234
local terms energy: -138.111112
where:
bonds (distance) C4'-P energy: -26.597
bonds (distance) P-C4' energy: -30.623
flat angles C4'-P-C4' energy: -25.368
flat angles P-C4'-P energy: -18.069
tors. eta vs tors. theta energy: -37.454
Dist. restrs. and SS energy: 0.103 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -421.518654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.518654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.533736 (E_RNA)
where:
Base-Base interactions energy: -284.507
where: short stacking energy: -123.542
Base-Backbone interact. energy: -0.435
local terms energy: -136.591345
where:
bonds (distance) C4'-P energy: -29.186
bonds (distance) P-C4' energy: -29.968
flat angles C4'-P-C4' energy: -26.579
flat angles P-C4'-P energy: -17.521
tors. eta vs tors. theta energy: -33.338
Dist. restrs. and SS energy: 0.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -410.233235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.233235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.712321 (E_RNA)
where:
Base-Base interactions energy: -289.588
where: short stacking energy: -108.987
Base-Backbone interact. energy: -0.249
local terms energy: -120.875492
where:
bonds (distance) C4'-P energy: -28.057
bonds (distance) P-C4' energy: -29.694
flat angles C4'-P-C4' energy: -19.701
flat angles P-C4'-P energy: -13.759
tors. eta vs tors. theta energy: -29.664
Dist. restrs. and SS energy: 0.479 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -394.432895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.432895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.696117 (E_RNA)
where:
Base-Base interactions energy: -271.918
where: short stacking energy: -102.045
Base-Backbone interact. energy: -0.573
local terms energy: -122.204643
where:
bonds (distance) C4'-P energy: -25.698
bonds (distance) P-C4' energy: -31.064
flat angles C4'-P-C4' energy: -24.607
flat angles P-C4'-P energy: -12.414
tors. eta vs tors. theta energy: -28.422
Dist. restrs. and SS energy: 0.263 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -375.250120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.250120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.339589 (E_RNA)
where:
Base-Base interactions energy: -251.122
where: short stacking energy: -111.297
Base-Backbone interact. energy: -0.337
local terms energy: -123.880463
where:
bonds (distance) C4'-P energy: -21.297
bonds (distance) P-C4' energy: -27.447
flat angles C4'-P-C4' energy: -28.839
flat angles P-C4'-P energy: -19.175
tors. eta vs tors. theta energy: -27.122
Dist. restrs. and SS energy: 0.089 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -334.158954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.158954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.259387 (E_RNA)
where:
Base-Base interactions energy: -227.006
where: short stacking energy: -91.913
Base-Backbone interact. energy: -0.305
local terms energy: -106.948915
where:
bonds (distance) C4'-P energy: -22.632
bonds (distance) P-C4' energy: -22.978
flat angles C4'-P-C4' energy: -24.397
flat angles P-C4'-P energy: -9.937
tors. eta vs tors. theta energy: -27.004
Dist. restrs. and SS energy: 0.100 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -357.966388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.966388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.325012 (E_RNA)
where:
Base-Base interactions energy: -234.663
where: short stacking energy: -93.800
Base-Backbone interact. energy: -0.888
local terms energy: -122.774732
where:
bonds (distance) C4'-P energy: -24.333
bonds (distance) P-C4' energy: -28.846
flat angles C4'-P-C4' energy: -26.009
flat angles P-C4'-P energy: -18.026
tors. eta vs tors. theta energy: -25.561
Dist. restrs. and SS energy: 0.359 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -365.066715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.066715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.509827 (E_RNA)
where:
Base-Base interactions energy: -246.444
where: short stacking energy: -97.643
Base-Backbone interact. energy: -0.829
local terms energy: -118.237325
where:
bonds (distance) C4'-P energy: -19.821
bonds (distance) P-C4' energy: -25.915
flat angles C4'-P-C4' energy: -24.260
flat angles P-C4'-P energy: -18.541
tors. eta vs tors. theta energy: -29.700
Dist. restrs. and SS energy: 0.443 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -346.912956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.912956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.167797 (E_RNA)
where:
Base-Base interactions energy: -244.723
where: short stacking energy: -95.775
Base-Backbone interact. energy: 0.679
local terms energy: -103.124101
where:
bonds (distance) C4'-P energy: -24.403
bonds (distance) P-C4' energy: -19.807
flat angles C4'-P-C4' energy: -24.354
flat angles P-C4'-P energy: -9.819
tors. eta vs tors. theta energy: -24.740
Dist. restrs. and SS energy: 0.255 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -309.437204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.437204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.037220 (E_RNA)
where:
Base-Base interactions energy: -209.109
where: short stacking energy: -76.567
Base-Backbone interact. energy: -0.367
local terms energy: -100.561547
where:
bonds (distance) C4'-P energy: -21.517
bonds (distance) P-C4' energy: -25.572
flat angles C4'-P-C4' energy: -18.711
flat angles P-C4'-P energy: -12.104
tors. eta vs tors. theta energy: -22.657
Dist. restrs. and SS energy: 0.600 (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: 236
Temperature: 0.900000
Total energy: -425.550657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.550657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.646562 (E_RNA)
where:
Base-Base interactions energy: -293.657
where: short stacking energy: -122.910
Base-Backbone interact. energy: -0.310
local terms energy: -131.678846
where:
bonds (distance) C4'-P energy: -29.736
bonds (distance) P-C4' energy: -20.597
flat angles C4'-P-C4' energy: -31.902
flat angles P-C4'-P energy: -14.356
tors. eta vs tors. theta energy: -35.088
Dist. restrs. and SS energy: 0.096 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -418.303485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.303485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.465104 (E_RNA)
where:
Base-Base interactions energy: -292.545
where: short stacking energy: -109.072
Base-Backbone interact. energy: -0.790
local terms energy: -125.130174
where:
bonds (distance) C4'-P energy: -25.268
bonds (distance) P-C4' energy: -29.305
flat angles C4'-P-C4' energy: -26.494
flat angles P-C4'-P energy: -18.098
tors. eta vs tors. theta energy: -25.965
Dist. restrs. and SS energy: 0.162 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -400.788232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.788232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.979810 (E_RNA)
where:
Base-Base interactions energy: -272.433
where: short stacking energy: -114.561
Base-Backbone interact. energy: -0.517
local terms energy: -128.029892
where:
bonds (distance) C4'-P energy: -28.506
bonds (distance) P-C4' energy: -22.404
flat angles C4'-P-C4' energy: -29.999
flat angles P-C4'-P energy: -13.094
tors. eta vs tors. theta energy: -34.027
Dist. restrs. and SS energy: 0.192 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -389.177160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.177160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.382504 (E_RNA)
where:
Base-Base interactions energy: -276.854
where: short stacking energy: -110.081
Base-Backbone interact. energy: -1.536
local terms energy: -110.993009
where:
bonds (distance) C4'-P energy: -23.969
bonds (distance) P-C4' energy: -13.273
flat angles C4'-P-C4' energy: -26.401
flat angles P-C4'-P energy: -18.692
tors. eta vs tors. theta energy: -28.658
Dist. restrs. and SS energy: 0.205 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -347.925802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.925802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.013084 (E_RNA)
where:
Base-Base interactions energy: -239.495
where: short stacking energy: -94.022
Base-Backbone interact. energy: -1.672
local terms energy: -106.845868
where:
bonds (distance) C4'-P energy: -17.748
bonds (distance) P-C4' energy: -26.879
flat angles C4'-P-C4' energy: -19.720
flat angles P-C4'-P energy: -21.077
tors. eta vs tors. theta energy: -21.422
Dist. restrs. and SS energy: 0.087 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -368.696795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.696795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.809817 (E_RNA)
where:
Base-Base interactions energy: -248.596
where: short stacking energy: -93.895
Base-Backbone interact. energy: -0.088
local terms energy: -120.125016
where:
bonds (distance) C4'-P energy: -22.532
bonds (distance) P-C4' energy: -23.978
flat angles C4'-P-C4' energy: -28.441
flat angles P-C4'-P energy: -15.374
tors. eta vs tors. theta energy: -29.800
Dist. restrs. and SS energy: 0.113 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -356.907342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.907342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.599902 (E_RNA)
where:
Base-Base interactions energy: -250.734
where: short stacking energy: -103.804
Base-Backbone interact. energy: -0.676
local terms energy: -106.190640
where:
bonds (distance) C4'-P energy: -16.988
bonds (distance) P-C4' energy: -24.328
flat angles C4'-P-C4' energy: -22.543
flat angles P-C4'-P energy: -11.534
tors. eta vs tors. theta energy: -30.799
Dist. restrs. and SS energy: 0.693 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -340.312592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.312592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.445233 (E_RNA)
where:
Base-Base interactions energy: -230.346
where: short stacking energy: -86.150
Base-Backbone interact. energy: -0.065
local terms energy: -110.034352
where:
bonds (distance) C4'-P energy: -21.423
bonds (distance) P-C4' energy: -26.865
flat angles C4'-P-C4' energy: -27.307
flat angles P-C4'-P energy: -10.867
tors. eta vs tors. theta energy: -23.573
Dist. restrs. and SS energy: 0.133 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -334.028746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.028746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.188000 (E_RNA)
where:
Base-Base interactions energy: -222.263
where: short stacking energy: -86.939
Base-Backbone interact. energy: -1.095
local terms energy: -110.830237
where:
bonds (distance) C4'-P energy: -24.730
bonds (distance) P-C4' energy: -26.774
flat angles C4'-P-C4' energy: -23.020
flat angles P-C4'-P energy: -14.329
tors. eta vs tors. theta energy: -21.977
Dist. restrs. and SS energy: 0.159 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -337.584500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.584500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.803935 (E_RNA)
where:
Base-Base interactions energy: -224.920
where: short stacking energy: -82.263
Base-Backbone interact. energy: -0.319
local terms energy: -112.564329
where:
bonds (distance) C4'-P energy: -27.561
bonds (distance) P-C4' energy: -20.201
flat angles C4'-P-C4' energy: -23.757
flat angles P-C4'-P energy: -17.174
tors. eta vs tors. theta energy: -23.871
Dist. restrs. and SS energy: 0.219 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -421.854287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.854287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.486752 (E_RNA)
where:
Base-Base interactions energy: -284.279
where: short stacking energy: -100.258
Base-Backbone interact. energy: -0.239
local terms energy: -137.968576
where:
bonds (distance) C4'-P energy: -28.378
bonds (distance) P-C4' energy: -28.737
flat angles C4'-P-C4' energy: -25.023
flat angles P-C4'-P energy: -21.868
tors. eta vs tors. theta energy: -33.964
Dist. restrs. and SS energy: 0.632 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -430.562226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.562226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.832023 (E_RNA)
where:
Base-Base interactions energy: -299.353
where: short stacking energy: -115.304
Base-Backbone interact. energy: 0.689
local terms energy: -132.167853
where:
bonds (distance) C4'-P energy: -25.106
bonds (distance) P-C4' energy: -29.216
flat angles C4'-P-C4' energy: -29.135
flat angles P-C4'-P energy: -15.622
tors. eta vs tors. theta energy: -33.088
Dist. restrs. and SS energy: 0.270 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -410.809399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.809399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.074593 (E_RNA)
where:
Base-Base interactions energy: -282.084
where: short stacking energy: -118.816
Base-Backbone interact. energy: -0.689
local terms energy: -128.301633
where:
bonds (distance) C4'-P energy: -25.214
bonds (distance) P-C4' energy: -24.914
flat angles C4'-P-C4' energy: -29.137
flat angles P-C4'-P energy: -13.590
tors. eta vs tors. theta energy: -35.446
Dist. restrs. and SS energy: 0.265 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -382.640399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.640399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.797565 (E_RNA)
where:
Base-Base interactions energy: -262.929
where: short stacking energy: -103.814
Base-Backbone interact. energy: -0.826
local terms energy: -119.042622
where:
bonds (distance) C4'-P energy: -24.535
bonds (distance) P-C4' energy: -31.678
flat angles C4'-P-C4' energy: -31.107
flat angles P-C4'-P energy: -8.154
tors. eta vs tors. theta energy: -23.568
Dist. restrs. and SS energy: 0.157 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -354.705902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.705902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.862107 (E_RNA)
where:
Base-Base interactions energy: -240.227
where: short stacking energy: -89.986
Base-Backbone interact. energy: 0.707
local terms energy: -115.342378
where:
bonds (distance) C4'-P energy: -22.966
bonds (distance) P-C4' energy: -24.025
flat angles C4'-P-C4' energy: -27.601
flat angles P-C4'-P energy: -18.296
tors. eta vs tors. theta energy: -22.454
Dist. restrs. and SS energy: 0.156 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -374.445961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.445961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.584122 (E_RNA)
where:
Base-Base interactions energy: -253.207
where: short stacking energy: -116.919
Base-Backbone interact. energy: 0.282
local terms energy: -121.659071
where:
bonds (distance) C4'-P energy: -23.372
bonds (distance) P-C4' energy: -23.134
flat angles C4'-P-C4' energy: -23.889
flat angles P-C4'-P energy: -16.119
tors. eta vs tors. theta energy: -35.145
Dist. restrs. and SS energy: 0.138 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -352.327853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.327853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.031550 (E_RNA)
where:
Base-Base interactions energy: -225.751
where: short stacking energy: -92.070
Base-Backbone interact. energy: -0.202
local terms energy: -127.077872
where:
bonds (distance) C4'-P energy: -30.926
bonds (distance) P-C4' energy: -25.033
flat angles C4'-P-C4' energy: -23.764
flat angles P-C4'-P energy: -20.364
tors. eta vs tors. theta energy: -26.991
Dist. restrs. and SS energy: 0.704 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -349.441812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.441812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.964252 (E_RNA)
where:
Base-Base interactions energy: -239.069
where: short stacking energy: -92.505
Base-Backbone interact. energy: -0.750
local terms energy: -110.146157
where:
bonds (distance) C4'-P energy: -18.193
bonds (distance) P-C4' energy: -23.784
flat angles C4'-P-C4' energy: -22.826
flat angles P-C4'-P energy: -18.274
tors. eta vs tors. theta energy: -27.069
Dist. restrs. and SS energy: 0.522 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -334.332065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.332065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.726659 (E_RNA)
where:
Base-Base interactions energy: -231.726
where: short stacking energy: -94.175
Base-Backbone interact. energy: -0.222
local terms energy: -102.778604
where:
bonds (distance) C4'-P energy: -20.698
bonds (distance) P-C4' energy: -25.518
flat angles C4'-P-C4' energy: -25.734
flat angles P-C4'-P energy: -8.679
tors. eta vs tors. theta energy: -22.149
Dist. restrs. and SS energy: 0.395 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -314.003136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.003136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.219310 (E_RNA)
where:
Base-Base interactions energy: -224.398
where: short stacking energy: -87.960
Base-Backbone interact. energy: -0.374
local terms energy: -89.447187
where:
bonds (distance) C4'-P energy: -22.395
bonds (distance) P-C4' energy: -18.340
flat angles C4'-P-C4' energy: -17.438
flat angles P-C4'-P energy: -15.131
tors. eta vs tors. theta energy: -16.143
Dist. restrs. and SS energy: 0.216 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -429.363702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.363702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.591571 (E_RNA)
where:
Base-Base interactions energy: -284.577
where: short stacking energy: -105.098
Base-Backbone interact. energy: -1.648
local terms energy: -143.367436
where:
bonds (distance) C4'-P energy: -25.510
bonds (distance) P-C4' energy: -28.219
flat angles C4'-P-C4' energy: -32.743
flat angles P-C4'-P energy: -24.383
tors. eta vs tors. theta energy: -32.513
Dist. restrs. and SS energy: 0.228 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -434.264905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.264905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.493126 (E_RNA)
where:
Base-Base interactions energy: -300.068
where: short stacking energy: -111.747
Base-Backbone interact. energy: -0.461
local terms energy: -133.964578
where:
bonds (distance) C4'-P energy: -29.190
bonds (distance) P-C4' energy: -28.227
flat angles C4'-P-C4' energy: -29.943
flat angles P-C4'-P energy: -13.066
tors. eta vs tors. theta energy: -33.539
Dist. restrs. and SS energy: 0.228 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -407.155876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.155876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.517220 (E_RNA)
where:
Base-Base interactions energy: -276.159
where: short stacking energy: -112.690
Base-Backbone interact. energy: 0.141
local terms energy: -131.500035
where:
bonds (distance) C4'-P energy: -21.817
bonds (distance) P-C4' energy: -29.890
flat angles C4'-P-C4' energy: -25.815
flat angles P-C4'-P energy: -22.179
tors. eta vs tors. theta energy: -31.800
Dist. restrs. and SS energy: 0.361 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -395.608645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.608645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.777424 (E_RNA)
where:
Base-Base interactions energy: -256.593
where: short stacking energy: -112.404
Base-Backbone interact. energy: -0.772
local terms energy: -138.412300
where:
bonds (distance) C4'-P energy: -26.778
bonds (distance) P-C4' energy: -28.761
flat angles C4'-P-C4' energy: -25.408
flat angles P-C4'-P energy: -20.885
tors. eta vs tors. theta energy: -36.581
Dist. restrs. and SS energy: 0.169 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -370.838921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.838921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.891970 (E_RNA)
where:
Base-Base interactions energy: -253.382
where: short stacking energy: -99.889
Base-Backbone interact. energy: -0.530
local terms energy: -116.980697
where:
bonds (distance) C4'-P energy: -24.771
bonds (distance) P-C4' energy: -29.859
flat angles C4'-P-C4' energy: -22.688
flat angles P-C4'-P energy: -10.907
tors. eta vs tors. theta energy: -28.757
Dist. restrs. and SS energy: 0.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -348.209551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.209551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.430030 (E_RNA)
where:
Base-Base interactions energy: -226.362
where: short stacking energy: -85.123
Base-Backbone interact. energy: -0.771
local terms energy: -121.297563
where:
bonds (distance) C4'-P energy: -27.060
bonds (distance) P-C4' energy: -24.725
flat angles C4'-P-C4' energy: -27.802
flat angles P-C4'-P energy: -16.847
tors. eta vs tors. theta energy: -24.865
Dist. restrs. and SS energy: 0.220 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -357.826598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.826598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.615749 (E_RNA)
where:
Base-Base interactions energy: -233.549
where: short stacking energy: -99.120
Base-Backbone interact. energy: -0.146
local terms energy: -125.919887
where:
bonds (distance) C4'-P energy: -28.746
bonds (distance) P-C4' energy: -31.799
flat angles C4'-P-C4' energy: -26.543
flat angles P-C4'-P energy: -11.615
tors. eta vs tors. theta energy: -27.217
Dist. restrs. and SS energy: 1.789 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -340.957827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.957827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.542288 (E_RNA)
where:
Base-Base interactions energy: -231.837
where: short stacking energy: -95.326
Base-Backbone interact. energy: -0.463
local terms energy: -109.241799
where:
bonds (distance) C4'-P energy: -23.392
bonds (distance) P-C4' energy: -22.429
flat angles C4'-P-C4' energy: -22.976
flat angles P-C4'-P energy: -13.218
tors. eta vs tors. theta energy: -27.227
Dist. restrs. and SS energy: 0.584 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -316.223147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.223147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.675676 (E_RNA)
where:
Base-Base interactions energy: -209.774
where: short stacking energy: -80.573
Base-Backbone interact. energy: 2.369
local terms energy: -109.271018
where:
bonds (distance) C4'-P energy: -29.500
bonds (distance) P-C4' energy: -26.434
flat angles C4'-P-C4' energy: -19.738
flat angles P-C4'-P energy: -16.388
tors. eta vs tors. theta energy: -17.210
Dist. restrs. and SS energy: 0.453 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -296.413141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.413141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.882733 (E_RNA)
where:
Base-Base interactions energy: -199.399
where: short stacking energy: -88.867
Base-Backbone interact. energy: -1.793
local terms energy: -96.690438
where:
bonds (distance) C4'-P energy: -13.253
bonds (distance) P-C4' energy: -20.265
flat angles C4'-P-C4' energy: -29.580
flat angles P-C4'-P energy: -8.526
tors. eta vs tors. theta energy: -25.067
Dist. restrs. and SS energy: 1.470 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -417.259582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.259582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.364107 (E_RNA)
where:
Base-Base interactions energy: -278.865
where: short stacking energy: -122.073
Base-Backbone interact. energy: -1.433
local terms energy: -137.065981
where:
bonds (distance) C4'-P energy: -30.429
bonds (distance) P-C4' energy: -21.925
flat angles C4'-P-C4' energy: -30.152
flat angles P-C4'-P energy: -15.727
tors. eta vs tors. theta energy: -38.833
Dist. restrs. and SS energy: 0.105 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -419.605477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.605477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.860524 (E_RNA)
where:
Base-Base interactions energy: -282.012
where: short stacking energy: -107.456
Base-Backbone interact. energy: -1.689
local terms energy: -136.159454
where:
bonds (distance) C4'-P energy: -31.511
bonds (distance) P-C4' energy: -29.716
flat angles C4'-P-C4' energy: -26.053
flat angles P-C4'-P energy: -16.766
tors. eta vs tors. theta energy: -32.114
Dist. restrs. and SS energy: 0.255 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -426.284929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.284929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.528947 (E_RNA)
where:
Base-Base interactions energy: -292.541
where: short stacking energy: -105.722
Base-Backbone interact. energy: -1.174
local terms energy: -132.814113
where:
bonds (distance) C4'-P energy: -23.395
bonds (distance) P-C4' energy: -30.759
flat angles C4'-P-C4' energy: -33.008
flat angles P-C4'-P energy: -16.819
tors. eta vs tors. theta energy: -28.833
Dist. restrs. and SS energy: 0.244 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -398.266271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.266271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.545293 (E_RNA)
where:
Base-Base interactions energy: -265.115
where: short stacking energy: -108.548
Base-Backbone interact. energy: -0.299
local terms energy: -133.132190
where:
bonds (distance) C4'-P energy: -26.432
bonds (distance) P-C4' energy: -26.466
flat angles C4'-P-C4' energy: -31.576
flat angles P-C4'-P energy: -16.205
tors. eta vs tors. theta energy: -32.453
Dist. restrs. and SS energy: 0.279 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -360.838169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.838169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.234082 (E_RNA)
where:
Base-Base interactions energy: -246.077
where: short stacking energy: -103.305
Base-Backbone interact. energy: 0.933
local terms energy: -117.090545
where:
bonds (distance) C4'-P energy: -25.185
bonds (distance) P-C4' energy: -27.276
flat angles C4'-P-C4' energy: -27.683
flat angles P-C4'-P energy: -9.553
tors. eta vs tors. theta energy: -27.392
Dist. restrs. and SS energy: 1.396 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -354.272858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.272858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.654868 (E_RNA)
where:
Base-Base interactions energy: -239.422
where: short stacking energy: -98.152
Base-Backbone interact. energy: -0.241
local terms energy: -114.992284
where:
bonds (distance) C4'-P energy: -25.500
bonds (distance) P-C4' energy: -17.596
flat angles C4'-P-C4' energy: -24.328
flat angles P-C4'-P energy: -16.325
tors. eta vs tors. theta energy: -31.244
Dist. restrs. and SS energy: 0.382 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -353.371940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.371940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.437624 (E_RNA)
where:
Base-Base interactions energy: -231.145
where: short stacking energy: -96.585
Base-Backbone interact. energy: 0.324
local terms energy: -122.616478
where:
bonds (distance) C4'-P energy: -28.175
bonds (distance) P-C4' energy: -28.361
flat angles C4'-P-C4' energy: -18.831
flat angles P-C4'-P energy: -19.007
tors. eta vs tors. theta energy: -28.242
Dist. restrs. and SS energy: 0.066 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -310.188339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.188339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.687875 (E_RNA)
where:
Base-Base interactions energy: -222.351
where: short stacking energy: -85.122
Base-Backbone interact. energy: -0.493
local terms energy: -87.844165
where:
bonds (distance) C4'-P energy: -21.878
bonds (distance) P-C4' energy: -26.208
flat angles C4'-P-C4' energy: -15.722
flat angles P-C4'-P energy: -8.063
tors. eta vs tors. theta energy: -15.973
Dist. restrs. and SS energy: 0.500 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -329.460179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.460179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.883889 (E_RNA)
where:
Base-Base interactions energy: -217.151
where: short stacking energy: -89.094
Base-Backbone interact. energy: 0.168
local terms energy: -112.900154
where:
bonds (distance) C4'-P energy: -20.876
bonds (distance) P-C4' energy: -24.497
flat angles C4'-P-C4' energy: -25.702
flat angles P-C4'-P energy: -16.996
tors. eta vs tors. theta energy: -24.829
Dist. restrs. and SS energy: 0.424 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -276.883803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.883803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.392923 (E_RNA)
where:
Base-Base interactions energy: -179.837
where: short stacking energy: -74.633
Base-Backbone interact. energy: -0.207
local terms energy: -100.348784
where:
bonds (distance) C4'-P energy: -21.040
bonds (distance) P-C4' energy: -23.410
flat angles C4'-P-C4' energy: -17.983
flat angles P-C4'-P energy: -21.536
tors. eta vs tors. theta energy: -16.380
Dist. restrs. and SS energy: 3.509 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -422.476104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.476104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.719075 (E_RNA)
where:
Base-Base interactions energy: -289.838
where: short stacking energy: -116.909
Base-Backbone interact. energy: -2.189
local terms energy: -130.692412
where:
bonds (distance) C4'-P energy: -25.174
bonds (distance) P-C4' energy: -30.717
flat angles C4'-P-C4' energy: -24.086
flat angles P-C4'-P energy: -12.881
tors. eta vs tors. theta energy: -37.835
Dist. restrs. and SS energy: 0.243 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -406.053491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.053491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.146830 (E_RNA)
where:
Base-Base interactions energy: -274.119
where: short stacking energy: -122.135
Base-Backbone interact. energy: -0.025
local terms energy: -132.002962
where:
bonds (distance) C4'-P energy: -27.087
bonds (distance) P-C4' energy: -21.024
flat angles C4'-P-C4' energy: -32.902
flat angles P-C4'-P energy: -18.921
tors. eta vs tors. theta energy: -32.069
Dist. restrs. and SS energy: 0.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -403.219547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.219547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.465538 (E_RNA)
where:
Base-Base interactions energy: -265.619
where: short stacking energy: -103.136
Base-Backbone interact. energy: -0.319
local terms energy: -137.528078
where:
bonds (distance) C4'-P energy: -28.198
bonds (distance) P-C4' energy: -30.026
flat angles C4'-P-C4' energy: -30.069
flat angles P-C4'-P energy: -19.964
tors. eta vs tors. theta energy: -29.270
Dist. restrs. and SS energy: 0.246 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -420.650693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.650693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.929843 (E_RNA)
where:
Base-Base interactions energy: -300.268
where: short stacking energy: -106.658
Base-Backbone interact. energy: -0.542
local terms energy: -120.120493
where:
bonds (distance) C4'-P energy: -23.733
bonds (distance) P-C4' energy: -24.084
flat angles C4'-P-C4' energy: -26.157
flat angles P-C4'-P energy: -14.536
tors. eta vs tors. theta energy: -31.611
Dist. restrs. and SS energy: 0.279 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -358.719113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.719113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.007681 (E_RNA)
where:
Base-Base interactions energy: -252.191
where: short stacking energy: -100.707
Base-Backbone interact. energy: -0.089
local terms energy: -106.727457
where:
bonds (distance) C4'-P energy: -20.536
bonds (distance) P-C4' energy: -21.166
flat angles C4'-P-C4' energy: -23.930
flat angles P-C4'-P energy: -14.082
tors. eta vs tors. theta energy: -27.014
Dist. restrs. and SS energy: 0.289 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -348.305497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.305497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.041294 (E_RNA)
where:
Base-Base interactions energy: -239.299
where: short stacking energy: -89.378
Base-Backbone interact. energy: -1.563
local terms energy: -108.178591
where:
bonds (distance) C4'-P energy: -26.755
bonds (distance) P-C4' energy: -26.997
flat angles C4'-P-C4' energy: -26.384
flat angles P-C4'-P energy: -6.827
tors. eta vs tors. theta energy: -21.215
Dist. restrs. and SS energy: 0.736 (S_DIST_RNA)
chem. 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: -345.117895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.117895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.272645 (E_RNA)
where:
Base-Base interactions energy: -246.909
where: short stacking energy: -86.521
Base-Backbone interact. energy: -0.213
local terms energy: -98.151111
where:
bonds (distance) C4'-P energy: -12.278
bonds (distance) P-C4' energy: -21.327
flat angles C4'-P-C4' energy: -24.965
flat angles P-C4'-P energy: -15.584
tors. eta vs tors. theta energy: -23.998
Dist. restrs. and SS energy: 0.155 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -330.978288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.978288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.143906 (E_RNA)
where:
Base-Base interactions energy: -230.712
where: short stacking energy: -93.097
Base-Backbone interact. energy: -0.509
local terms energy: -99.923291
where:
bonds (distance) C4'-P energy: -25.558
bonds (distance) P-C4' energy: -16.815
flat angles C4'-P-C4' energy: -26.799
flat angles P-C4'-P energy: -7.801
tors. eta vs tors. theta energy: -22.949
Dist. restrs. and SS energy: 0.166 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -337.575857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.575857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.826665 (E_RNA)
where:
Base-Base interactions energy: -224.655
where: short stacking energy: -90.634
Base-Backbone interact. energy: -0.605
local terms energy: -112.566268
where:
bonds (distance) C4'-P energy: -24.361
bonds (distance) P-C4' energy: -19.847
flat angles C4'-P-C4' energy: -27.113
flat angles P-C4'-P energy: -16.654
tors. eta vs tors. theta energy: -24.591
Dist. restrs. and SS energy: 0.251 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -287.468792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.468792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.380511 (E_RNA)
where:
Base-Base interactions energy: -177.142
where: short stacking energy: -68.623
Base-Backbone interact. energy: -0.469
local terms energy: -110.768848
where:
bonds (distance) C4'-P energy: -23.948
bonds (distance) P-C4' energy: -25.320
flat angles C4'-P-C4' energy: -22.212
flat angles P-C4'-P energy: -16.826
tors. eta vs tors. theta energy: -22.463
Dist. restrs. and SS energy: 0.912 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -425.689691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.689691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.802889 (E_RNA)
where:
Base-Base interactions energy: -288.584
where: short stacking energy: -121.201
Base-Backbone interact. energy: -1.759
local terms energy: -135.459868
where:
bonds (distance) C4'-P energy: -25.824
bonds (distance) P-C4' energy: -21.801
flat angles C4'-P-C4' energy: -29.108
flat angles P-C4'-P energy: -21.639
tors. eta vs tors. theta energy: -37.088
Dist. restrs. and SS energy: 0.113 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -399.632271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.632271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.772993 (E_RNA)
where:
Base-Base interactions energy: -257.696
where: short stacking energy: -107.398
Base-Backbone interact. energy: 0.310
local terms energy: -142.387891
where:
bonds (distance) C4'-P energy: -29.658
bonds (distance) P-C4' energy: -30.159
flat angles C4'-P-C4' energy: -31.667
flat angles P-C4'-P energy: -20.029
tors. eta vs tors. theta energy: -30.874
Dist. restrs. and SS energy: 0.141 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -397.878764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.878764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.995601 (E_RNA)
where:
Base-Base interactions energy: -264.397
where: short stacking energy: -99.196
Base-Backbone interact. energy: -0.398
local terms energy: -133.200721
where:
bonds (distance) C4'-P energy: -24.552
bonds (distance) P-C4' energy: -29.005
flat angles C4'-P-C4' energy: -33.339
flat angles P-C4'-P energy: -17.631
tors. eta vs tors. theta energy: -28.674
Dist. restrs. and SS energy: 0.117 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -417.287469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.287469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.575769 (E_RNA)
where:
Base-Base interactions energy: -289.877
where: short stacking energy: -101.536
Base-Backbone interact. energy: -0.477
local terms energy: -127.221210
where:
bonds (distance) C4'-P energy: -28.634
bonds (distance) P-C4' energy: -23.117
flat angles C4'-P-C4' energy: -32.739
flat angles P-C4'-P energy: -16.911
tors. eta vs tors. theta energy: -25.820
Dist. restrs. and SS energy: 0.288 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -374.541028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.541028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.693034 (E_RNA)
where:
Base-Base interactions energy: -244.773
where: short stacking energy: -92.797
Base-Backbone interact. energy: -1.110
local terms energy: -128.809834
where:
bonds (distance) C4'-P energy: -21.060
bonds (distance) P-C4' energy: -32.729
flat angles C4'-P-C4' energy: -31.403
flat angles P-C4'-P energy: -14.414
tors. eta vs tors. theta energy: -29.204
Dist. restrs. and SS energy: 0.152 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -364.866597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.866597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.446781 (E_RNA)
where:
Base-Base interactions energy: -245.320
where: short stacking energy: -97.650
Base-Backbone interact. energy: -0.448
local terms energy: -119.678936
where:
bonds (distance) C4'-P energy: -22.180
bonds (distance) P-C4' energy: -26.579
flat angles C4'-P-C4' energy: -27.277
flat angles P-C4'-P energy: -17.456
tors. eta vs tors. theta energy: -26.188
Dist. restrs. and SS energy: 0.580 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -367.944016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.944016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.272493 (E_RNA)
where:
Base-Base interactions energy: -251.294
where: short stacking energy: -101.472
Base-Backbone interact. energy: -0.363
local terms energy: -116.615953
where:
bonds (distance) C4'-P energy: -28.134
bonds (distance) P-C4' energy: -21.095
flat angles C4'-P-C4' energy: -29.546
flat angles P-C4'-P energy: -14.977
tors. eta vs tors. theta energy: -22.864
Dist. restrs. and SS energy: 0.328 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -338.817658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.817658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.927085 (E_RNA)
where:
Base-Base interactions energy: -235.229
where: short stacking energy: -96.029
Base-Backbone interact. energy: 1.693
local terms energy: -105.390780
where:
bonds (distance) C4'-P energy: -17.013
bonds (distance) P-C4' energy: -25.798
flat angles C4'-P-C4' energy: -19.635
flat angles P-C4'-P energy: -18.668
tors. eta vs tors. theta energy: -24.277
Dist. restrs. and SS energy: 0.109 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -312.575062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.575062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.754198 (E_RNA)
where:
Base-Base interactions energy: -208.073
where: short stacking energy: -84.653
Base-Backbone interact. energy: -0.259
local terms energy: -104.421968
where:
bonds (distance) C4'-P energy: -25.182
bonds (distance) P-C4' energy: -21.209
flat angles C4'-P-C4' energy: -23.980
flat angles P-C4'-P energy: -16.316
tors. eta vs tors. theta energy: -17.735
Dist. restrs. and SS energy: 0.179 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -327.457080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.457080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.584208 (E_RNA)
where:
Base-Base interactions energy: -219.846
where: short stacking energy: -89.959
Base-Backbone interact. energy: -0.142
local terms energy: -107.596093
where:
bonds (distance) C4'-P energy: -16.524
bonds (distance) P-C4' energy: -21.881
flat angles C4'-P-C4' energy: -31.306
flat angles P-C4'-P energy: -18.873
tors. eta vs tors. theta energy: -19.012
Dist. restrs. and SS energy: 0.127 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -406.307811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.307811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.505108 (E_RNA)
where:
Base-Base interactions energy: -274.143
where: short stacking energy: -111.554
Base-Backbone interact. energy: -0.998
local terms energy: -131.363990
where:
bonds (distance) C4'-P energy: -25.409
bonds (distance) P-C4' energy: -29.744
flat angles C4'-P-C4' energy: -31.362
flat angles P-C4'-P energy: -13.417
tors. eta vs tors. theta energy: -31.432
Dist. restrs. and SS energy: 0.197 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -413.569279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.569279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.656212 (E_RNA)
where:
Base-Base interactions energy: -279.844
where: short stacking energy: -115.754
Base-Backbone interact. energy: -0.276
local terms energy: -133.536377
where:
bonds (distance) C4'-P energy: -25.936
bonds (distance) P-C4' energy: -30.750
flat angles C4'-P-C4' energy: -27.120
flat angles P-C4'-P energy: -16.473
tors. eta vs tors. theta energy: -33.258
Dist. restrs. and SS energy: 0.087 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -429.766944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.766944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.139848 (E_RNA)
where:
Base-Base interactions energy: -311.337
where: short stacking energy: -109.504
Base-Backbone interact. energy: -0.378
local terms energy: -118.425088
where:
bonds (distance) C4'-P energy: -20.738
bonds (distance) P-C4' energy: -28.633
flat angles C4'-P-C4' energy: -29.331
flat angles P-C4'-P energy: -12.612
tors. eta vs tors. theta energy: -27.111
Dist. restrs. and SS energy: 0.373 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -386.016994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.016994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.259053 (E_RNA)
where:
Base-Base interactions energy: -259.031
where: short stacking energy: -104.909
Base-Backbone interact. energy: 0.400
local terms energy: -127.627721
where:
bonds (distance) C4'-P energy: -29.152
bonds (distance) P-C4' energy: -23.741
flat angles C4'-P-C4' energy: -27.720
flat angles P-C4'-P energy: -16.403
tors. eta vs tors. theta energy: -30.612
Dist. restrs. and SS energy: 0.242 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -384.320236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.320236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.608609 (E_RNA)
where:
Base-Base interactions energy: -255.955
where: short stacking energy: -107.043
Base-Backbone interact. energy: -0.057
local terms energy: -128.596713
where:
bonds (distance) C4'-P energy: -23.465
bonds (distance) P-C4' energy: -29.634
flat angles C4'-P-C4' energy: -28.560
flat angles P-C4'-P energy: -13.774
tors. eta vs tors. theta energy: -33.164
Dist. restrs. and SS energy: 0.288 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -358.662006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.662006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.270000 (E_RNA)
where:
Base-Base interactions energy: -239.808
where: short stacking energy: -99.226
Base-Backbone interact. energy: -0.478
local terms energy: -118.983825
where:
bonds (distance) C4'-P energy: -26.064
bonds (distance) P-C4' energy: -27.117
flat angles C4'-P-C4' energy: -27.947
flat angles P-C4'-P energy: -15.635
tors. eta vs tors. theta energy: -22.221
Dist. restrs. and SS energy: 0.608 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -354.089571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.089571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.298589 (E_RNA)
where:
Base-Base interactions energy: -238.697
where: short stacking energy: -103.309
Base-Backbone interact. energy: -0.268
local terms energy: -115.333988
where:
bonds (distance) C4'-P energy: -24.457
bonds (distance) P-C4' energy: -26.399
flat angles C4'-P-C4' energy: -22.342
flat angles P-C4'-P energy: -17.463
tors. eta vs tors. theta energy: -24.674
Dist. restrs. and SS energy: 0.209 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -361.743533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.743533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.047620 (E_RNA)
where:
Base-Base interactions energy: -250.182
where: short stacking energy: -100.168
Base-Backbone interact. energy: -1.636
local terms energy: -110.229464
where:
bonds (distance) C4'-P energy: -24.671
bonds (distance) P-C4' energy: -22.332
flat angles C4'-P-C4' energy: -21.422
flat angles P-C4'-P energy: -16.619
tors. eta vs tors. theta energy: -25.185
Dist. restrs. and SS energy: 0.304 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -330.195767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.195767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.416701 (E_RNA)
where:
Base-Base interactions energy: -216.269
where: short stacking energy: -86.910
Base-Backbone interact. energy: 0.520
local terms energy: -114.668034
where:
bonds (distance) C4'-P energy: -25.699
bonds (distance) P-C4' energy: -25.140
flat angles C4'-P-C4' energy: -24.370
flat angles P-C4'-P energy: -15.573
tors. eta vs tors. theta energy: -23.887
Dist. restrs. and SS energy: 0.221 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -310.922509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.922509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.627675 (E_RNA)
where:
Base-Base interactions energy: -203.735
where: short stacking energy: -81.034
Base-Backbone interact. energy: -0.248
local terms energy: -107.645170
where:
bonds (distance) C4'-P energy: -24.682
bonds (distance) P-C4' energy: -24.395
flat angles C4'-P-C4' energy: -20.825
flat angles P-C4'-P energy: -15.396
tors. eta vs tors. theta energy: -22.347
Dist. restrs. and SS energy: 0.705 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -408.381735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.381735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.760294 (E_RNA)
where:
Base-Base interactions energy: -278.231
where: short stacking energy: -114.169
Base-Backbone interact. energy: -0.093
local terms energy: -130.436421
where:
bonds (distance) C4'-P energy: -30.605
bonds (distance) P-C4' energy: -25.135
flat angles C4'-P-C4' energy: -28.176
flat angles P-C4'-P energy: -17.874
tors. eta vs tors. theta energy: -28.646
Dist. restrs. and SS energy: 0.379 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -431.568890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.568890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.756190 (E_RNA)
where:
Base-Base interactions energy: -302.651
where: short stacking energy: -112.291
Base-Backbone interact. energy: -0.275
local terms energy: -128.830047
where:
bonds (distance) C4'-P energy: -20.180
bonds (distance) P-C4' energy: -27.526
flat angles C4'-P-C4' energy: -28.059
flat angles P-C4'-P energy: -22.739
tors. eta vs tors. theta energy: -30.325
Dist. restrs. and SS energy: 0.187 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -398.186732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.186732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.317180 (E_RNA)
where:
Base-Base interactions energy: -271.719
where: short stacking energy: -110.400
Base-Backbone interact. energy: -0.645
local terms energy: -125.952561
where:
bonds (distance) C4'-P energy: -22.887
bonds (distance) P-C4' energy: -29.055
flat angles C4'-P-C4' energy: -28.727
flat angles P-C4'-P energy: -18.525
tors. eta vs tors. theta energy: -26.759
Dist. restrs. and SS energy: 0.130 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -403.198985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.198985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.355717 (E_RNA)
where:
Base-Base interactions energy: -261.400
where: short stacking energy: -98.259
Base-Backbone interact. energy: 0.503
local terms energy: -142.458634
where:
bonds (distance) C4'-P energy: -32.348
bonds (distance) P-C4' energy: -31.571
flat angles C4'-P-C4' energy: -30.513
flat angles P-C4'-P energy: -17.571
tors. eta vs tors. theta energy: -30.455
Dist. restrs. and SS energy: 0.157 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -369.183433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.183433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.405505 (E_RNA)
where:
Base-Base interactions energy: -240.113
where: short stacking energy: -97.007
Base-Backbone interact. energy: -0.190
local terms energy: -129.102333
where:
bonds (distance) C4'-P energy: -28.121
bonds (distance) P-C4' energy: -24.852
flat angles C4'-P-C4' energy: -30.798
flat angles P-C4'-P energy: -16.266
tors. eta vs tors. theta energy: -29.065
Dist. restrs. and SS energy: 0.222 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -372.735080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.735080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.289597 (E_RNA)
where:
Base-Base interactions energy: -258.718
where: short stacking energy: -107.960
Base-Backbone interact. energy: -0.172
local terms energy: -114.400325
where:
bonds (distance) C4'-P energy: -18.297
bonds (distance) P-C4' energy: -21.582
flat angles C4'-P-C4' energy: -30.979
flat angles P-C4'-P energy: -14.593
tors. eta vs tors. theta energy: -28.950
Dist. restrs. and SS energy: 0.555 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -345.304685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.304685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.039822 (E_RNA)
where:
Base-Base interactions energy: -234.517
where: short stacking energy: -94.265
Base-Backbone interact. energy: -0.187
local terms energy: -111.336093
where:
bonds (distance) C4'-P energy: -24.577
bonds (distance) P-C4' energy: -31.992
flat angles C4'-P-C4' energy: -20.453
flat angles P-C4'-P energy: -10.354
tors. eta vs tors. theta energy: -23.961
Dist. restrs. and SS energy: 0.735 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -343.042579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.042579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.290872 (E_RNA)
where:
Base-Base interactions energy: -224.091
where: short stacking energy: -78.238
Base-Backbone interact. energy: -0.399
local terms energy: -118.801564
where:
bonds (distance) C4'-P energy: -19.493
bonds (distance) P-C4' energy: -24.236
flat angles C4'-P-C4' energy: -27.012
flat angles P-C4'-P energy: -20.843
tors. eta vs tors. theta energy: -27.218
Dist. restrs. and SS energy: 0.248 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -330.839767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.839767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.318174 (E_RNA)
where:
Base-Base interactions energy: -224.726
where: short stacking energy: -86.920
Base-Backbone interact. energy: 0.879
local terms energy: -107.471284
where:
bonds (distance) C4'-P energy: -23.843
bonds (distance) P-C4' energy: -29.367
flat angles C4'-P-C4' energy: -18.805
flat angles P-C4'-P energy: -15.436
tors. eta vs tors. theta energy: -20.020
Dist. restrs. and SS energy: 0.478 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -315.572661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.572661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.025830 (E_RNA)
where:
Base-Base interactions energy: -214.955
where: short stacking energy: -76.301
Base-Backbone interact. energy: -0.490
local terms energy: -100.581394
where:
bonds (distance) C4'-P energy: -27.265
bonds (distance) P-C4' energy: -20.799
flat angles C4'-P-C4' energy: -21.249
flat angles P-C4'-P energy: -16.633
tors. eta vs tors. theta energy: -14.635
Dist. restrs. and SS energy: 0.453 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -450.179271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.179271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.806940 (E_RNA)
where:
Base-Base interactions energy: -314.226
where: short stacking energy: -126.466
Base-Backbone interact. energy: -0.092
local terms energy: -136.489111
where:
bonds (distance) C4'-P energy: -26.324
bonds (distance) P-C4' energy: -29.121
flat angles C4'-P-C4' energy: -31.260
flat angles P-C4'-P energy: -14.923
tors. eta vs tors. theta energy: -34.860
Dist. restrs. and SS energy: 0.628 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -415.004277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.004277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.777478 (E_RNA)
where:
Base-Base interactions energy: -279.928
where: short stacking energy: -120.434
Base-Backbone interact. energy: -0.304
local terms energy: -135.545545
where:
bonds (distance) C4'-P energy: -24.717
bonds (distance) P-C4' energy: -27.610
flat angles C4'-P-C4' energy: -32.306
flat angles P-C4'-P energy: -14.674
tors. eta vs tors. theta energy: -36.239
Dist. restrs. and SS energy: 0.773 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -403.149381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.149381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.245751 (E_RNA)
where:
Base-Base interactions energy: -273.495
where: short stacking energy: -103.352
Base-Backbone interact. energy: -0.880
local terms energy: -128.871192
where:
bonds (distance) C4'-P energy: -27.433
bonds (distance) P-C4' energy: -26.925
flat angles C4'-P-C4' energy: -27.014
flat angles P-C4'-P energy: -15.431
tors. eta vs tors. theta energy: -32.068
Dist. restrs. and SS energy: 0.096 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -366.694076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.694076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.910774 (E_RNA)
where:
Base-Base interactions energy: -251.765
where: short stacking energy: -100.905
Base-Backbone interact. energy: 0.724
local terms energy: -115.869945
where:
bonds (distance) C4'-P energy: -28.300
bonds (distance) P-C4' energy: -24.860
flat angles C4'-P-C4' energy: -23.847
flat angles P-C4'-P energy: -16.207
tors. eta vs tors. theta energy: -22.656
Dist. restrs. and SS energy: 0.217 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -363.434588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.434588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.045163 (E_RNA)
where:
Base-Base interactions energy: -252.569
where: short stacking energy: -98.101
Base-Backbone interact. energy: -0.217
local terms energy: -111.258578
where:
bonds (distance) C4'-P energy: -24.128
bonds (distance) P-C4' energy: -24.208
flat angles C4'-P-C4' energy: -24.497
flat angles P-C4'-P energy: -11.332
tors. eta vs tors. theta energy: -27.093
Dist. restrs. and SS energy: 0.611 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -350.734664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.734664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.997555 (E_RNA)
where:
Base-Base interactions energy: -229.788
where: short stacking energy: -100.048
Base-Backbone interact. energy: -0.104
local terms energy: -121.105181
where:
bonds (distance) C4'-P energy: -24.365
bonds (distance) P-C4' energy: -28.238
flat angles C4'-P-C4' energy: -30.904
flat angles P-C4'-P energy: -11.757
tors. eta vs tors. theta energy: -25.842
Dist. restrs. and SS energy: 0.263 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -370.069618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.069618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.979050 (E_RNA)
where:
Base-Base interactions energy: -244.991
where: short stacking energy: -102.008
Base-Backbone interact. energy: -0.299
local terms energy: -125.688766
where:
bonds (distance) C4'-P energy: -24.284
bonds (distance) P-C4' energy: -31.239
flat angles C4'-P-C4' energy: -25.241
flat angles P-C4'-P energy: -17.033
tors. eta vs tors. theta energy: -27.891
Dist. restrs. and SS energy: 0.909 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -345.687684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.687684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.005677 (E_RNA)
where:
Base-Base interactions energy: -223.873
where: short stacking energy: -89.723
Base-Backbone interact. energy: -0.833
local terms energy: -121.299839
where:
bonds (distance) C4'-P energy: -25.044
bonds (distance) P-C4' energy: -27.947
flat angles C4'-P-C4' energy: -25.824
flat angles P-C4'-P energy: -20.909
tors. eta vs tors. theta energy: -21.576
Dist. restrs. and SS energy: 0.318 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -326.591872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.591872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.669315 (E_RNA)
where:
Base-Base interactions energy: -232.862
where: short stacking energy: -90.146
Base-Backbone interact. energy: -0.195
local terms energy: -93.612315
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -22.176
flat angles C4'-P-C4' energy: -22.888
flat angles P-C4'-P energy: -8.905
tors. eta vs tors. theta energy: -25.077
Dist. restrs. and SS energy: 0.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -317.419189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.419189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.981962 (E_RNA)
where:
Base-Base interactions energy: -229.266
where: short stacking energy: -85.788
Base-Backbone interact. energy: -0.701
local terms energy: -88.015075
where:
bonds (distance) C4'-P energy: -10.086
bonds (distance) P-C4' energy: -22.083
flat angles C4'-P-C4' energy: -28.136
flat angles P-C4'-P energy: -9.086
tors. eta vs tors. theta energy: -18.625
Dist. restrs. and SS energy: 0.563 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -439.296343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.296343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.308105 (E_RNA)
where:
Base-Base interactions energy: -311.806
where: short stacking energy: -109.392
Base-Backbone interact. energy: 0.167
local terms energy: -127.668809
where:
bonds (distance) C4'-P energy: -27.101
bonds (distance) P-C4' energy: -26.985
flat angles C4'-P-C4' energy: -25.523
flat angles P-C4'-P energy: -19.558
tors. eta vs tors. theta energy: -28.503
Dist. restrs. and SS energy: 0.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -413.333314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.333314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.430743 (E_RNA)
where:
Base-Base interactions energy: -283.540
where: short stacking energy: -110.963
Base-Backbone interact. energy: -1.248
local terms energy: -128.642968
where:
bonds (distance) C4'-P energy: -28.091
bonds (distance) P-C4' energy: -31.124
flat angles C4'-P-C4' energy: -26.959
flat angles P-C4'-P energy: -8.392
tors. eta vs tors. theta energy: -34.077
Dist. restrs. and SS energy: 0.097 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -392.886661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.886661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.216496 (E_RNA)
where:
Base-Base interactions energy: -269.585
where: short stacking energy: -111.345
Base-Backbone interact. energy: -0.440
local terms energy: -123.191122
where:
bonds (distance) C4'-P energy: -25.693
bonds (distance) P-C4' energy: -24.277
flat angles C4'-P-C4' energy: -29.004
flat angles P-C4'-P energy: -12.238
tors. eta vs tors. theta energy: -31.978
Dist. restrs. and SS energy: 0.330 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -393.684321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.684321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.720732 (E_RNA)
where:
Base-Base interactions energy: -269.892
where: short stacking energy: -108.861
Base-Backbone interact. energy: -0.467
local terms energy: -123.362058
where:
bonds (distance) C4'-P energy: -25.550
bonds (distance) P-C4' energy: -28.554
flat angles C4'-P-C4' energy: -26.967
flat angles P-C4'-P energy: -14.124
tors. eta vs tors. theta energy: -28.167
Dist. restrs. and SS energy: 0.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -388.723740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.723740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.144061 (E_RNA)
where:
Base-Base interactions energy: -265.637
where: short stacking energy: -120.498
Base-Backbone interact. energy: 2.397
local terms energy: -125.903959
where:
bonds (distance) C4'-P energy: -24.900
bonds (distance) P-C4' energy: -30.122
flat angles C4'-P-C4' energy: -23.654
flat angles P-C4'-P energy: -15.209
tors. eta vs tors. theta energy: -32.019
Dist. restrs. and SS energy: 0.420 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -351.589303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.589303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.872666 (E_RNA)
where:
Base-Base interactions energy: -243.834
where: short stacking energy: -106.986
Base-Backbone interact. energy: -0.422
local terms energy: -107.616759
where:
bonds (distance) C4'-P energy: -17.688
bonds (distance) P-C4' energy: -26.672
flat angles C4'-P-C4' energy: -24.461
flat angles P-C4'-P energy: -13.048
tors. eta vs tors. theta energy: -25.747
Dist. restrs. and SS energy: 0.283 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -331.867281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.867281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.136690 (E_RNA)
where:
Base-Base interactions energy: -224.935
where: short stacking energy: -91.627
Base-Backbone interact. energy: -0.038
local terms energy: -107.164138
where:
bonds (distance) C4'-P energy: -23.853
bonds (distance) P-C4' energy: -22.482
flat angles C4'-P-C4' energy: -25.580
flat angles P-C4'-P energy: -16.776
tors. eta vs tors. theta energy: -18.473
Dist. restrs. and SS energy: 0.269 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -341.304352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.304352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.708274 (E_RNA)
where:
Base-Base interactions energy: -221.080
where: short stacking energy: -91.898
Base-Backbone interact. energy: -0.843
local terms energy: -119.784542
where:
bonds (distance) C4'-P energy: -21.214
bonds (distance) P-C4' energy: -27.672
flat angles C4'-P-C4' energy: -28.608
flat angles P-C4'-P energy: -14.877
tors. eta vs tors. theta energy: -27.414
Dist. restrs. and SS energy: 0.404 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -310.445801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.445801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.374268 (E_RNA)
where:
Base-Base interactions energy: -200.797
where: short stacking energy: -83.094
Base-Backbone interact. energy: -0.159
local terms energy: -110.418331
where:
bonds (distance) C4'-P energy: -24.251
bonds (distance) P-C4' energy: -23.638
flat angles C4'-P-C4' energy: -26.532
flat angles P-C4'-P energy: -11.932
tors. eta vs tors. theta energy: -24.065
Dist. restrs. and SS energy: 0.928 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -314.839655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.839655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.891723 (E_RNA)
where:
Base-Base interactions energy: -203.304
where: short stacking energy: -82.459
Base-Backbone interact. energy: 0.159
local terms energy: -113.746819
where:
bonds (distance) C4'-P energy: -22.343
bonds (distance) P-C4' energy: -24.916
flat angles C4'-P-C4' energy: -26.748
flat angles P-C4'-P energy: -14.033
tors. eta vs tors. theta energy: -25.707
Dist. restrs. and SS energy: 2.052 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -443.009143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.009143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.044288 (E_RNA)
where:
Base-Base interactions energy: -313.914
where: short stacking energy: -112.631
Base-Backbone interact. energy: -0.432
local terms energy: -128.699177
where:
bonds (distance) C4'-P energy: -28.085
bonds (distance) P-C4' energy: -25.198
flat angles C4'-P-C4' energy: -26.713
flat angles P-C4'-P energy: -16.101
tors. eta vs tors. theta energy: -32.604
Dist. restrs. and SS energy: 0.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -400.239260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.239260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.687330 (E_RNA)
where:
Base-Base interactions energy: -268.923
where: short stacking energy: -105.098
Base-Backbone interact. energy: -1.031
local terms energy: -130.732497
where:
bonds (distance) C4'-P energy: -29.669
bonds (distance) P-C4' energy: -29.661
flat angles C4'-P-C4' energy: -26.036
flat angles P-C4'-P energy: -17.470
tors. eta vs tors. theta energy: -27.896
Dist. restrs. and SS energy: 0.448 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -410.623026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.623026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.699315 (E_RNA)
where:
Base-Base interactions energy: -282.525
where: short stacking energy: -113.235
Base-Backbone interact. energy: -0.312
local terms energy: -127.862714
where:
bonds (distance) C4'-P energy: -24.279
bonds (distance) P-C4' energy: -28.443
flat angles C4'-P-C4' energy: -27.678
flat angles P-C4'-P energy: -19.003
tors. eta vs tors. theta energy: -28.459
Dist. restrs. and SS energy: 0.076 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -377.872837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.872837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.978846 (E_RNA)
where:
Base-Base interactions energy: -263.719
where: short stacking energy: -102.650
Base-Backbone interact. energy: -1.082
local terms energy: -113.177876
where:
bonds (distance) C4'-P energy: -26.050
bonds (distance) P-C4' energy: -21.593
flat angles C4'-P-C4' energy: -27.839
flat angles P-C4'-P energy: -14.235
tors. eta vs tors. theta energy: -23.461
Dist. restrs. and SS energy: 0.106 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -390.425903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.425903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.497307 (E_RNA)
where:
Base-Base interactions energy: -266.588
where: short stacking energy: -102.839
Base-Backbone interact. energy: -0.938
local terms energy: -122.971288
where:
bonds (distance) C4'-P energy: -24.092
bonds (distance) P-C4' energy: -29.703
flat angles C4'-P-C4' energy: -20.264
flat angles P-C4'-P energy: -15.374
tors. eta vs tors. theta energy: -33.538
Dist. restrs. and SS energy: 0.071 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -345.502562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.502562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.567112 (E_RNA)
where:
Base-Base interactions energy: -233.422
where: short stacking energy: -88.995
Base-Backbone interact. energy: 1.947
local terms energy: -114.092145
where:
bonds (distance) C4'-P energy: -26.628
bonds (distance) P-C4' energy: -18.425
flat angles C4'-P-C4' energy: -28.281
flat angles P-C4'-P energy: -12.654
tors. eta vs tors. theta energy: -28.104
Dist. restrs. and SS energy: 0.065 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -353.281221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.281221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.606008 (E_RNA)
where:
Base-Base interactions energy: -242.543
where: short stacking energy: -86.958
Base-Backbone interact. energy: -1.478
local terms energy: -109.585215
where:
bonds (distance) C4'-P energy: -28.093
bonds (distance) P-C4' energy: -28.891
flat angles C4'-P-C4' energy: -22.528
flat angles P-C4'-P energy: -12.881
tors. eta vs tors. theta energy: -17.193
Dist. restrs. and SS energy: 0.325 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -341.282517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.282517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.546217 (E_RNA)
where:
Base-Base interactions energy: -234.839
where: short stacking energy: -94.080
Base-Backbone interact. energy: -0.403
local terms energy: -106.304114
where:
bonds (distance) C4'-P energy: -16.841
bonds (distance) P-C4' energy: -22.430
flat angles C4'-P-C4' energy: -21.429
flat angles P-C4'-P energy: -18.624
tors. eta vs tors. theta energy: -26.979
Dist. restrs. and SS energy: 0.264 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -353.725762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.725762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.799781 (E_RNA)
where:
Base-Base interactions energy: -232.385
where: short stacking energy: -99.623
Base-Backbone interact. energy: -0.075
local terms energy: -121.339664
where:
bonds (distance) C4'-P energy: -27.603
bonds (distance) P-C4' energy: -26.406
flat angles C4'-P-C4' energy: -24.928
flat angles P-C4'-P energy: -15.406
tors. eta vs tors. theta energy: -26.997
Dist. restrs. and SS energy: 0.074 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -324.934878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.934878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.743007 (E_RNA)
where:
Base-Base interactions energy: -228.276
where: short stacking energy: -86.084
Base-Backbone interact. energy: -0.367
local terms energy: -97.099971
where:
bonds (distance) C4'-P energy: -20.945
bonds (distance) P-C4' energy: -22.767
flat angles C4'-P-C4' energy: -25.331
flat angles P-C4'-P energy: -8.190
tors. eta vs tors. theta energy: -19.867
Dist. restrs. and SS energy: 0.808 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -443.152915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.152915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.295049 (E_RNA)
where:
Base-Base interactions energy: -305.166
where: short stacking energy: -113.890
Base-Backbone interact. energy: -0.564
local terms energy: -137.564828
where:
bonds (distance) C4'-P energy: -24.836
bonds (distance) P-C4' energy: -30.926
flat angles C4'-P-C4' energy: -29.726
flat angles P-C4'-P energy: -19.121
tors. eta vs tors. theta energy: -32.956
Dist. restrs. and SS energy: 0.142 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -406.064579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.064579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.249928 (E_RNA)
where:
Base-Base interactions energy: -281.077
where: short stacking energy: -124.197
Base-Backbone interact. energy: 0.288
local terms energy: -125.460701
where:
bonds (distance) C4'-P energy: -30.144
bonds (distance) P-C4' energy: -25.306
flat angles C4'-P-C4' energy: -24.131
flat angles P-C4'-P energy: -12.700
tors. eta vs tors. theta energy: -33.179
Dist. restrs. and SS energy: 0.185 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -391.193262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.193262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.749538 (E_RNA)
where:
Base-Base interactions energy: -270.796
where: short stacking energy: -103.707
Base-Backbone interact. energy: -0.758
local terms energy: -120.195433
where:
bonds (distance) C4'-P energy: -21.377
bonds (distance) P-C4' energy: -29.031
flat angles C4'-P-C4' energy: -25.603
flat angles P-C4'-P energy: -15.831
tors. eta vs tors. theta energy: -28.352
Dist. restrs. and SS energy: 0.556 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -395.856817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.856817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.099801 (E_RNA)
where:
Base-Base interactions energy: -261.097
where: short stacking energy: -116.344
Base-Backbone interact. energy: 0.286
local terms energy: -135.288408
where:
bonds (distance) C4'-P energy: -26.143
bonds (distance) P-C4' energy: -26.192
flat angles C4'-P-C4' energy: -29.218
flat angles P-C4'-P energy: -20.898
tors. eta vs tors. theta energy: -32.837
Dist. restrs. and SS energy: 0.243 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -373.832067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.832067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.853620 (E_RNA)
where:
Base-Base interactions energy: -255.492
where: short stacking energy: -110.212
Base-Backbone interact. energy: 2.451
local terms energy: -120.812862
where:
bonds (distance) C4'-P energy: -22.295
bonds (distance) P-C4' energy: -26.652
flat angles C4'-P-C4' energy: -29.690
flat angles P-C4'-P energy: -12.667
tors. eta vs tors. theta energy: -29.509
Dist. restrs. and SS energy: 0.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -359.847149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.847149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.122339 (E_RNA)
where:
Base-Base interactions energy: -239.176
where: short stacking energy: -102.850
Base-Backbone interact. energy: -0.512
local terms energy: -120.434518
where:
bonds (distance) C4'-P energy: -23.455
bonds (distance) P-C4' energy: -27.356
flat angles C4'-P-C4' energy: -24.656
flat angles P-C4'-P energy: -16.772
tors. eta vs tors. theta energy: -28.196
Dist. restrs. and SS energy: 0.275 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -359.650660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.650660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.742416 (E_RNA)
where:
Base-Base interactions energy: -252.497
where: short stacking energy: -103.914
Base-Backbone interact. energy: -0.524
local terms energy: -106.721250
where:
bonds (distance) C4'-P energy: -28.845
bonds (distance) P-C4' energy: -26.241
flat angles C4'-P-C4' energy: -20.539
flat angles P-C4'-P energy: -8.628
tors. eta vs tors. theta energy: -22.469
Dist. restrs. and SS energy: 0.092 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -331.263083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.263083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.382526 (E_RNA)
where:
Base-Base interactions energy: -226.445
where: short stacking energy: -86.008
Base-Backbone interact. energy: 3.288
local terms energy: -108.225037
where:
bonds (distance) C4'-P energy: -25.508
bonds (distance) P-C4' energy: -26.920
flat angles C4'-P-C4' energy: -17.971
flat angles P-C4'-P energy: -19.522
tors. eta vs tors. theta energy: -18.305
Dist. restrs. and SS energy: 0.119 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -334.084344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.084344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.318978 (E_RNA)
where:
Base-Base interactions energy: -241.768
where: short stacking energy: -93.964
Base-Backbone interact. energy: 2.507
local terms energy: -95.057352
where:
bonds (distance) C4'-P energy: -21.819
bonds (distance) P-C4' energy: -15.678
flat angles C4'-P-C4' energy: -20.284
flat angles P-C4'-P energy: -19.139
tors. eta vs tors. theta energy: -18.137
Dist. restrs. and SS energy: 0.235 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -315.076550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.076550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.384435 (E_RNA)
where:
Base-Base interactions energy: -209.766
where: short stacking energy: -74.857
Base-Backbone interact. energy: -0.375
local terms energy: -105.243357
where:
bonds (distance) C4'-P energy: -24.544
bonds (distance) P-C4' energy: -26.820
flat angles C4'-P-C4' energy: -17.012
flat angles P-C4'-P energy: -17.365
tors. eta vs tors. theta energy: -19.503
Dist. restrs. and SS energy: 0.308 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -446.242328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.242328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.242328 (E_RNA)
where:
Base-Base interactions energy: -310.904
where: short stacking energy: -117.697
Base-Backbone interact. energy: -0.767
local terms energy: -134.571795
where:
bonds (distance) C4'-P energy: -20.909
bonds (distance) P-C4' energy: -29.162
flat angles C4'-P-C4' energy: -33.137
flat angles P-C4'-P energy: -18.105
tors. eta vs tors. theta energy: -33.259
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -411.003014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.003014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.204618 (E_RNA)
where:
Base-Base interactions energy: -274.373
where: short stacking energy: -117.095
Base-Backbone interact. energy: -1.913
local terms energy: -134.919453
where:
bonds (distance) C4'-P energy: -22.738
bonds (distance) P-C4' energy: -29.733
flat angles C4'-P-C4' energy: -31.427
flat angles P-C4'-P energy: -22.408
tors. eta vs tors. theta energy: -28.614
Dist. restrs. and SS energy: 0.202 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -405.804096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.804096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.997166 (E_RNA)
where:
Base-Base interactions energy: -280.750
where: short stacking energy: -119.141
Base-Backbone interact. energy: -0.742
local terms energy: -124.505688
where:
bonds (distance) C4'-P energy: -21.107
bonds (distance) P-C4' energy: -29.349
flat angles C4'-P-C4' energy: -26.019
flat angles P-C4'-P energy: -12.699
tors. eta vs tors. theta energy: -35.333
Dist. restrs. and SS energy: 0.193 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -388.008867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.008867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.594758 (E_RNA)
where:
Base-Base interactions energy: -265.716
where: short stacking energy: -104.224
Base-Backbone interact. energy: -0.551
local terms energy: -122.327474
where:
bonds (distance) C4'-P energy: -22.477
bonds (distance) P-C4' energy: -27.292
flat angles C4'-P-C4' energy: -29.885
flat angles P-C4'-P energy: -13.459
tors. eta vs tors. theta energy: -29.214
Dist. restrs. and SS energy: 0.586 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -359.120972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.120972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.273830 (E_RNA)
where:
Base-Base interactions energy: -245.736
where: short stacking energy: -104.150
Base-Backbone interact. energy: -0.644
local terms energy: -112.893341
where:
bonds (distance) C4'-P energy: -16.633
bonds (distance) P-C4' energy: -28.966
flat angles C4'-P-C4' energy: -26.900
flat angles P-C4'-P energy: -8.773
tors. eta vs tors. theta energy: -31.621
Dist. restrs. and SS energy: 0.153 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -370.643580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.643580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.782897 (E_RNA)
where:
Base-Base interactions energy: -253.143
where: short stacking energy: -101.530
Base-Backbone interact. energy: -0.100
local terms energy: -117.540154
where:
bonds (distance) C4'-P energy: -23.128
bonds (distance) P-C4' energy: -28.984
flat angles C4'-P-C4' energy: -23.779
flat angles P-C4'-P energy: -12.784
tors. eta vs tors. theta energy: -28.865
Dist. restrs. and SS energy: 0.139 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -338.655924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.655924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.943620 (E_RNA)
where:
Base-Base interactions energy: -222.026
where: short stacking energy: -84.384
Base-Backbone interact. energy: -1.670
local terms energy: -115.247004
where:
bonds (distance) C4'-P energy: -18.881
bonds (distance) P-C4' energy: -24.038
flat angles C4'-P-C4' energy: -30.514
flat angles P-C4'-P energy: -18.748
tors. eta vs tors. theta energy: -23.067
Dist. restrs. and SS energy: 0.288 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -351.229761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.229761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.412716 (E_RNA)
where:
Base-Base interactions energy: -233.986
where: short stacking energy: -91.498
Base-Backbone interact. energy: -0.477
local terms energy: -116.949229
where:
bonds (distance) C4'-P energy: -26.159
bonds (distance) P-C4' energy: -21.105
flat angles C4'-P-C4' energy: -27.919
flat angles P-C4'-P energy: -16.415
tors. eta vs tors. theta energy: -25.351
Dist. restrs. and SS energy: 0.183 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -319.906980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.906980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.141988 (E_RNA)
where:
Base-Base interactions energy: -223.602
where: short stacking energy: -90.932
Base-Backbone interact. energy: -0.363
local terms energy: -96.176073
where:
bonds (distance) C4'-P energy: -23.464
bonds (distance) P-C4' energy: -18.328
flat angles C4'-P-C4' energy: -25.759
flat angles P-C4'-P energy: -7.111
tors. eta vs tors. theta energy: -21.514
Dist. restrs. and SS energy: 0.235 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -290.680199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.680199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.153528 (E_RNA)
where:
Base-Base interactions energy: -190.163
where: short stacking energy: -72.104
Base-Backbone interact. energy: -0.263
local terms energy: -100.727590
where:
bonds (distance) C4'-P energy: -20.449
bonds (distance) P-C4' energy: -28.351
flat angles C4'-P-C4' energy: -26.443
flat angles P-C4'-P energy: -11.953
tors. eta vs tors. theta energy: -13.533
Dist. restrs. and SS energy: 0.473 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -449.805833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.805833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.876911 (E_RNA)
where:
Base-Base interactions energy: -310.341
where: short stacking energy: -119.392
Base-Backbone interact. energy: -0.145
local terms energy: -139.390539
where:
bonds (distance) C4'-P energy: -29.492
bonds (distance) P-C4' energy: -27.924
flat angles C4'-P-C4' energy: -28.032
flat angles P-C4'-P energy: -20.894
tors. eta vs tors. theta energy: -33.049
Dist. restrs. and SS energy: 0.071 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -412.277182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.277182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.620345 (E_RNA)
where:
Base-Base interactions energy: -269.808
where: short stacking energy: -108.821
Base-Backbone interact. energy: -0.628
local terms energy: -142.184659
where:
bonds (distance) C4'-P energy: -25.864
bonds (distance) P-C4' energy: -30.356
flat angles C4'-P-C4' energy: -28.978
flat angles P-C4'-P energy: -21.345
tors. eta vs tors. theta energy: -35.641
Dist. restrs. and SS energy: 0.343 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -399.908789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.908789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.316874 (E_RNA)
where:
Base-Base interactions energy: -283.735
where: short stacking energy: -110.136
Base-Backbone interact. energy: -0.761
local terms energy: -115.820677
where:
bonds (distance) C4'-P energy: -16.922
bonds (distance) P-C4' energy: -23.752
flat angles C4'-P-C4' energy: -26.706
flat angles P-C4'-P energy: -14.883
tors. eta vs tors. theta energy: -33.559
Dist. restrs. and SS energy: 0.408 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -400.774362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.774362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.920865 (E_RNA)
where:
Base-Base interactions energy: -270.447
where: short stacking energy: -108.384
Base-Backbone interact. energy: -0.164
local terms energy: -130.309916
where:
bonds (distance) C4'-P energy: -23.596
bonds (distance) P-C4' energy: -29.726
flat angles C4'-P-C4' energy: -24.266
flat angles P-C4'-P energy: -15.791
tors. eta vs tors. theta energy: -36.931
Dist. restrs. and SS energy: 0.147 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -355.885461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.885461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.194893 (E_RNA)
where:
Base-Base interactions energy: -235.655
where: short stacking energy: -91.315
Base-Backbone interact. energy: 0.633
local terms energy: -121.172586
where:
bonds (distance) C4'-P energy: -27.516
bonds (distance) P-C4' energy: -25.072
flat angles C4'-P-C4' energy: -28.246
flat angles P-C4'-P energy: -17.713
tors. eta vs tors. theta energy: -22.625
Dist. restrs. and SS energy: 0.309 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -359.195514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.195514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.546695 (E_RNA)
where:
Base-Base interactions energy: -244.174
where: short stacking energy: -95.625
Base-Backbone interact. energy: -0.366
local terms energy: -115.006548
where:
bonds (distance) C4'-P energy: -23.131
bonds (distance) P-C4' energy: -24.987
flat angles C4'-P-C4' energy: -20.956
flat angles P-C4'-P energy: -18.461
tors. eta vs tors. theta energy: -27.473
Dist. restrs. and SS energy: 0.351 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -350.217956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.217956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.633808 (E_RNA)
where:
Base-Base interactions energy: -245.252
where: short stacking energy: -84.803
Base-Backbone interact. energy: -0.294
local terms energy: -105.087684
where:
bonds (distance) C4'-P energy: -21.447
bonds (distance) P-C4' energy: -19.705
flat angles C4'-P-C4' energy: -24.963
flat angles P-C4'-P energy: -17.685
tors. eta vs tors. theta energy: -21.288
Dist. restrs. and SS energy: 0.416 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -320.238331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.238331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.562907 (E_RNA)
where:
Base-Base interactions energy: -218.490
where: short stacking energy: -87.305
Base-Backbone interact. energy: -0.045
local terms energy: -102.028458
where:
bonds (distance) C4'-P energy: -25.724
bonds (distance) P-C4' energy: -17.126
flat angles C4'-P-C4' energy: -22.328
flat angles P-C4'-P energy: -15.028
tors. eta vs tors. theta energy: -21.822
Dist. restrs. and SS energy: 0.325 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -341.373039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.373039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.828308 (E_RNA)
where:
Base-Base interactions energy: -233.241
where: short stacking energy: -79.101
Base-Backbone interact. energy: -0.959
local terms energy: -107.627890
where:
bonds (distance) C4'-P energy: -21.292
bonds (distance) P-C4' energy: -25.898
flat angles C4'-P-C4' energy: -18.527
flat angles P-C4'-P energy: -14.028
tors. eta vs tors. theta energy: -27.883
Dist. restrs. and SS energy: 0.455 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -314.079115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.079115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.608246 (E_RNA)
where:
Base-Base interactions energy: -215.000
where: short stacking energy: -83.894
Base-Backbone interact. energy: -0.358
local terms energy: -99.250330
where:
bonds (distance) C4'-P energy: -22.603
bonds (distance) P-C4' energy: -19.521
flat angles C4'-P-C4' energy: -23.046
flat angles P-C4'-P energy: -12.585
tors. eta vs tors. theta energy: -21.495
Dist. restrs. and SS energy: 0.529 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -453.482770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.482770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.614667 (E_RNA)
where:
Base-Base interactions energy: -311.017
where: short stacking energy: -112.699
Base-Backbone interact. energy: -0.697
local terms energy: -141.901365
where:
bonds (distance) C4'-P energy: -29.524
bonds (distance) P-C4' energy: -31.971
flat angles C4'-P-C4' energy: -33.143
flat angles P-C4'-P energy: -13.460
tors. eta vs tors. theta energy: -33.803
Dist. restrs. and SS energy: 0.132 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -415.373871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.373871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.529791 (E_RNA)
where:
Base-Base interactions energy: -288.227
where: short stacking energy: -122.439
Base-Backbone interact. energy: -0.275
local terms energy: -127.027572
where:
bonds (distance) C4'-P energy: -26.144
bonds (distance) P-C4' energy: -22.655
flat angles C4'-P-C4' energy: -31.462
flat angles P-C4'-P energy: -12.100
tors. eta vs tors. theta energy: -34.666
Dist. restrs. and SS energy: 0.156 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -397.218552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.218552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.405105 (E_RNA)
where:
Base-Base interactions energy: -266.298
where: short stacking energy: -117.389
Base-Backbone interact. energy: -0.426
local terms energy: -130.681168
where:
bonds (distance) C4'-P energy: -24.378
bonds (distance) P-C4' energy: -28.524
flat angles C4'-P-C4' energy: -29.268
flat angles P-C4'-P energy: -20.516
tors. eta vs tors. theta energy: -27.995
Dist. restrs. and SS energy: 0.187 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -400.593796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.593796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.886459 (E_RNA)
where:
Base-Base interactions energy: -270.078
where: short stacking energy: -109.755
Base-Backbone interact. energy: -0.182
local terms energy: -130.626467
where:
bonds (distance) C4'-P energy: -28.546
bonds (distance) P-C4' energy: -33.197
flat angles C4'-P-C4' energy: -27.077
flat angles P-C4'-P energy: -9.655
tors. eta vs tors. theta energy: -32.151
Dist. restrs. and SS energy: 0.293 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -377.635888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.635888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.091266 (E_RNA)
where:
Base-Base interactions energy: -253.575
where: short stacking energy: -107.800
Base-Backbone interact. energy: -1.351
local terms energy: -123.165051
where:
bonds (distance) C4'-P energy: -27.840
bonds (distance) P-C4' energy: -29.013
flat angles C4'-P-C4' energy: -22.929
flat angles P-C4'-P energy: -14.494
tors. eta vs tors. theta energy: -28.890
Dist. restrs. and SS energy: 0.455 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -368.586785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.586785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.845145 (E_RNA)
where:
Base-Base interactions energy: -247.945
where: short stacking energy: -110.686
Base-Backbone interact. energy: -0.230
local terms energy: -120.669648
where:
bonds (distance) C4'-P energy: -24.005
bonds (distance) P-C4' energy: -24.391
flat angles C4'-P-C4' energy: -22.606
flat angles P-C4'-P energy: -19.168
tors. eta vs tors. theta energy: -30.500
Dist. restrs. and SS energy: 0.258 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -357.173414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.173414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.289889 (E_RNA)
where:
Base-Base interactions energy: -247.751
where: short stacking energy: -94.153
Base-Backbone interact. energy: -0.707
local terms energy: -108.831237
where:
bonds (distance) C4'-P energy: -20.465
bonds (distance) P-C4' energy: -17.811
flat angles C4'-P-C4' energy: -32.076
flat angles P-C4'-P energy: -8.563
tors. eta vs tors. theta energy: -29.917
Dist. restrs. and SS energy: 0.116 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -340.109551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.109551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.800413 (E_RNA)
where:
Base-Base interactions energy: -234.957
where: short stacking energy: -86.141
Base-Backbone interact. energy: -0.443
local terms energy: -105.399639
where:
bonds (distance) C4'-P energy: -22.371
bonds (distance) P-C4' energy: -25.100
flat angles C4'-P-C4' energy: -28.587
flat angles P-C4'-P energy: -11.630
tors. eta vs tors. theta energy: -17.711
Dist. restrs. and SS energy: 0.691 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -346.413187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.413187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.874836 (E_RNA)
where:
Base-Base interactions energy: -224.974
where: short stacking energy: -92.900
Base-Backbone interact. energy: 0.036
local terms energy: -121.936546
where:
bonds (distance) C4'-P energy: -24.474
bonds (distance) P-C4' energy: -24.455
flat angles C4'-P-C4' energy: -29.058
flat angles P-C4'-P energy: -16.973
tors. eta vs tors. theta energy: -26.976
Dist. restrs. and SS energy: 0.462 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -330.993698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.993698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.279623 (E_RNA)
where:
Base-Base interactions energy: -227.191
where: short stacking energy: -84.200
Base-Backbone interact. energy: -0.007
local terms energy: -104.081145
where:
bonds (distance) C4'-P energy: -23.163
bonds (distance) P-C4' energy: -20.099
flat angles C4'-P-C4' energy: -22.270
flat angles P-C4'-P energy: -16.541
tors. eta vs tors. theta energy: -22.008
Dist. restrs. and SS energy: 0.286 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -439.860541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.860541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.960636 (E_RNA)
where:
Base-Base interactions energy: -307.236
where: short stacking energy: -109.560
Base-Backbone interact. energy: -1.246
local terms energy: -131.478333
where:
bonds (distance) C4'-P energy: -22.594
bonds (distance) P-C4' energy: -27.864
flat angles C4'-P-C4' energy: -28.168
flat angles P-C4'-P energy: -18.461
tors. eta vs tors. theta energy: -34.390
Dist. restrs. and SS energy: 0.100 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -408.332298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.332298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.087050 (E_RNA)
where:
Base-Base interactions energy: -266.787
where: short stacking energy: -116.670
Base-Backbone interact. energy: -0.109
local terms energy: -142.190682
where:
bonds (distance) C4'-P energy: -26.289
bonds (distance) P-C4' energy: -31.126
flat angles C4'-P-C4' energy: -27.656
flat angles P-C4'-P energy: -19.486
tors. eta vs tors. theta energy: -37.633
Dist. restrs. and SS energy: 0.755 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -409.481464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.481464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.864041 (E_RNA)
where:
Base-Base interactions energy: -289.288
where: short stacking energy: -120.494
Base-Backbone interact. energy: 1.659
local terms energy: -122.235092
where:
bonds (distance) C4'-P energy: -26.718
bonds (distance) P-C4' energy: -23.281
flat angles C4'-P-C4' energy: -24.039
flat angles P-C4'-P energy: -14.637
tors. eta vs tors. theta energy: -33.559
Dist. restrs. and SS energy: 0.383 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -390.566213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.566213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.855061 (E_RNA)
where:
Base-Base interactions energy: -265.544
where: short stacking energy: -103.970
Base-Backbone interact. energy: -0.426
local terms energy: -124.885024
where:
bonds (distance) C4'-P energy: -23.655
bonds (distance) P-C4' energy: -25.066
flat angles C4'-P-C4' energy: -27.322
flat angles P-C4'-P energy: -17.213
tors. eta vs tors. theta energy: -31.629
Dist. restrs. and SS energy: 0.289 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -373.873244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.873244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.124545 (E_RNA)
where:
Base-Base interactions energy: -243.377
where: short stacking energy: -95.010
Base-Backbone interact. energy: 0.195
local terms energy: -130.942372
where:
bonds (distance) C4'-P energy: -27.615
bonds (distance) P-C4' energy: -27.664
flat angles C4'-P-C4' energy: -26.488
flat angles P-C4'-P energy: -14.238
tors. eta vs tors. theta energy: -34.938
Dist. restrs. and SS energy: 0.251 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -370.209879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.209879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.801106 (E_RNA)
where:
Base-Base interactions energy: -246.212
where: short stacking energy: -107.109
Base-Backbone interact. energy: 0.139
local terms energy: -124.727935
where:
bonds (distance) C4'-P energy: -24.448
bonds (distance) P-C4' energy: -26.249
flat angles C4'-P-C4' energy: -30.840
flat angles P-C4'-P energy: -13.985
tors. eta vs tors. theta energy: -29.207
Dist. restrs. and SS energy: 0.591 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -350.108264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.108264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.280110 (E_RNA)
where:
Base-Base interactions energy: -234.605
where: short stacking energy: -93.438
Base-Backbone interact. energy: -1.025
local terms energy: -114.650068
where:
bonds (distance) C4'-P energy: -23.058
bonds (distance) P-C4' energy: -24.675
flat angles C4'-P-C4' energy: -24.396
flat angles P-C4'-P energy: -16.740
tors. eta vs tors. theta energy: -25.782
Dist. restrs. and SS energy: 0.172 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -334.553885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.553885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.967226 (E_RNA)
where:
Base-Base interactions energy: -243.533
where: short stacking energy: -91.389
Base-Backbone interact. energy: -0.508
local terms energy: -90.925672
where:
bonds (distance) C4'-P energy: -18.524
bonds (distance) P-C4' energy: -24.179
flat angles C4'-P-C4' energy: -11.590
flat angles P-C4'-P energy: -10.259
tors. eta vs tors. theta energy: -26.373
Dist. restrs. and SS energy: 0.413 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -307.761322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.761322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.961343 (E_RNA)
where:
Base-Base interactions energy: -205.403
where: short stacking energy: -71.636
Base-Backbone interact. energy: -0.131
local terms energy: -102.427812
where:
bonds (distance) C4'-P energy: -25.376
bonds (distance) P-C4' energy: -22.130
flat angles C4'-P-C4' energy: -23.327
flat angles P-C4'-P energy: -14.495
tors. eta vs tors. theta energy: -17.100
Dist. restrs. and SS energy: 0.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -323.200567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.200567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.842441 (E_RNA)
where:
Base-Base interactions energy: -228.257
where: short stacking energy: -93.696
Base-Backbone interact. energy: -0.489
local terms energy: -95.095541
where:
bonds (distance) C4'-P energy: -16.880
bonds (distance) P-C4' energy: -27.497
flat angles C4'-P-C4' energy: -18.206
flat angles P-C4'-P energy: -10.810
tors. eta vs tors. theta energy: -21.703
Dist. restrs. and SS energy: 0.642 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -440.352524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.352524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.657318 (E_RNA)
where:
Base-Base interactions energy: -304.145
where: short stacking energy: -119.442
Base-Backbone interact. energy: -0.277
local terms energy: -136.235256
where:
bonds (distance) C4'-P energy: -23.640
bonds (distance) P-C4' energy: -29.362
flat angles C4'-P-C4' energy: -22.473
flat angles P-C4'-P energy: -22.064
tors. eta vs tors. theta energy: -38.696
Dist. restrs. and SS energy: 0.305 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -410.783849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.783849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.869744 (E_RNA)
where:
Base-Base interactions energy: -279.562
where: short stacking energy: -112.039
Base-Backbone interact. energy: -0.837
local terms energy: -130.471152
where:
bonds (distance) C4'-P energy: -24.693
bonds (distance) P-C4' energy: -24.268
flat angles C4'-P-C4' energy: -30.211
flat angles P-C4'-P energy: -15.654
tors. eta vs tors. theta energy: -35.645
Dist. restrs. and SS energy: 0.086 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -418.045515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.045515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.461143 (E_RNA)
where:
Base-Base interactions energy: -290.237
where: short stacking energy: -119.360
Base-Backbone interact. energy: -0.757
local terms energy: -127.466529
where:
bonds (distance) C4'-P energy: -26.611
bonds (distance) P-C4' energy: -22.093
flat angles C4'-P-C4' energy: -30.812
flat angles P-C4'-P energy: -12.440
tors. eta vs tors. theta energy: -35.510
Dist. restrs. and SS energy: 0.416 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -403.038976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.038976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.411401 (E_RNA)
where:
Base-Base interactions energy: -273.635
where: short stacking energy: -109.840
Base-Backbone interact. energy: -2.345
local terms energy: -127.431357
where:
bonds (distance) C4'-P energy: -24.167
bonds (distance) P-C4' energy: -23.128
flat angles C4'-P-C4' energy: -29.105
flat angles P-C4'-P energy: -17.818
tors. eta vs tors. theta energy: -33.214
Dist. restrs. and SS energy: 0.372 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -369.278437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.278437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.975986 (E_RNA)
where:
Base-Base interactions energy: -242.466
where: short stacking energy: -93.788
Base-Backbone interact. energy: -0.158
local terms energy: -127.352352
where:
bonds (distance) C4'-P energy: -24.168
bonds (distance) P-C4' energy: -29.410
flat angles C4'-P-C4' energy: -31.806
flat angles P-C4'-P energy: -13.419
tors. eta vs tors. theta energy: -28.550
Dist. restrs. and SS energy: 0.698 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -358.651062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.651062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.733799 (E_RNA)
where:
Base-Base interactions energy: -252.124
where: short stacking energy: -98.763
Base-Backbone interact. energy: -0.323
local terms energy: -106.287110
where:
bonds (distance) C4'-P energy: -26.771
bonds (distance) P-C4' energy: -22.562
flat angles C4'-P-C4' energy: -17.934
flat angles P-C4'-P energy: -9.894
tors. eta vs tors. theta energy: -29.127
Dist. restrs. and SS energy: 0.083 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -357.572565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.572565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.067246 (E_RNA)
where:
Base-Base interactions energy: -246.841
where: short stacking energy: -95.201
Base-Backbone interact. energy: -0.298
local terms energy: -110.927893
where:
bonds (distance) C4'-P energy: -24.125
bonds (distance) P-C4' energy: -18.318
flat angles C4'-P-C4' energy: -27.586
flat angles P-C4'-P energy: -14.678
tors. eta vs tors. theta energy: -26.221
Dist. restrs. and SS energy: 0.495 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -335.045664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.045664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.490606 (E_RNA)
where:
Base-Base interactions energy: -222.783
where: short stacking energy: -85.153
Base-Backbone interact. energy: -0.104
local terms energy: -112.604388
where:
bonds (distance) C4'-P energy: -23.695
bonds (distance) P-C4' energy: -25.112
flat angles C4'-P-C4' energy: -19.034
flat angles P-C4'-P energy: -19.875
tors. eta vs tors. theta energy: -24.888
Dist. restrs. and SS energy: 0.445 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -338.586774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.586774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.935092 (E_RNA)
where:
Base-Base interactions energy: -233.420
where: short stacking energy: -89.239
Base-Backbone interact. energy: -0.961
local terms energy: -104.554445
where:
bonds (distance) C4'-P energy: -21.853
bonds (distance) P-C4' energy: -21.982
flat angles C4'-P-C4' energy: -23.936
flat angles P-C4'-P energy: -11.198
tors. eta vs tors. theta energy: -25.586
Dist. restrs. and SS energy: 0.348 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -317.476125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.476125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.319720 (E_RNA)
where:
Base-Base interactions energy: -212.915
where: short stacking energy: -78.075
Base-Backbone interact. energy: -0.137
local terms energy: -105.267669
where:
bonds (distance) C4'-P energy: -24.728
bonds (distance) P-C4' energy: -25.351
flat angles C4'-P-C4' energy: -24.406
flat angles P-C4'-P energy: -15.668
tors. eta vs tors. theta energy: -15.115
Dist. restrs. and SS energy: 0.844 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -421.286748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.286748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.368319 (E_RNA)
where:
Base-Base interactions energy: -293.220
where: short stacking energy: -111.194
Base-Backbone interact. energy: -0.574
local terms energy: -127.574142
where:
bonds (distance) C4'-P energy: -26.211
bonds (distance) P-C4' energy: -27.899
flat angles C4'-P-C4' energy: -28.855
flat angles P-C4'-P energy: -17.545
tors. eta vs tors. theta energy: -27.065
Dist. restrs. and SS energy: 0.082 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -410.600544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.600544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.023153 (E_RNA)
where:
Base-Base interactions energy: -274.797
where: short stacking energy: -107.055
Base-Backbone interact. energy: -1.069
local terms energy: -135.156786
where:
bonds (distance) C4'-P energy: -25.690
bonds (distance) P-C4' energy: -27.911
flat angles C4'-P-C4' energy: -26.789
flat angles P-C4'-P energy: -22.929
tors. eta vs tors. theta energy: -31.838
Dist. restrs. and SS energy: 0.423 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -411.420722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.420722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.546049 (E_RNA)
where:
Base-Base interactions energy: -283.597
where: short stacking energy: -119.094
Base-Backbone interact. energy: -0.031
local terms energy: -127.917687
where:
bonds (distance) C4'-P energy: -25.173
bonds (distance) P-C4' energy: -24.740
flat angles C4'-P-C4' energy: -30.655
flat angles P-C4'-P energy: -15.745
tors. eta vs tors. theta energy: -31.604
Dist. restrs. and SS energy: 0.125 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -382.588352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.588352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.775122 (E_RNA)
where:
Base-Base interactions energy: -258.282
where: short stacking energy: -105.829
Base-Backbone interact. energy: 1.342
local terms energy: -125.834590
where:
bonds (distance) C4'-P energy: -28.820
bonds (distance) P-C4' energy: -25.655
flat angles C4'-P-C4' energy: -27.242
flat angles P-C4'-P energy: -16.274
tors. eta vs tors. theta energy: -27.844
Dist. restrs. and SS energy: 0.187 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -393.167446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.167446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.227999 (E_RNA)
where:
Base-Base interactions energy: -269.318
where: short stacking energy: -108.461
Base-Backbone interact. energy: 0.193
local terms energy: -124.102429
where:
bonds (distance) C4'-P energy: -25.621
bonds (distance) P-C4' energy: -24.813
flat angles C4'-P-C4' energy: -27.215
flat angles P-C4'-P energy: -12.263
tors. eta vs tors. theta energy: -34.190
Dist. restrs. and SS energy: 0.061 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -369.539756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.539756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.902220 (E_RNA)
where:
Base-Base interactions energy: -250.578
where: short stacking energy: -99.154
Base-Backbone interact. energy: -0.316
local terms energy: -119.008668
where:
bonds (distance) C4'-P energy: -23.096
bonds (distance) P-C4' energy: -22.686
flat angles C4'-P-C4' energy: -31.958
flat angles P-C4'-P energy: -12.746
tors. eta vs tors. theta energy: -28.521
Dist. restrs. and SS energy: 0.362 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -344.732296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.732296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.732296 (E_RNA)
where:
Base-Base interactions energy: -232.668
where: short stacking energy: -84.296
Base-Backbone interact. energy: -0.356
local terms energy: -111.708589
where:
bonds (distance) C4'-P energy: -23.281
bonds (distance) P-C4' energy: -26.631
flat angles C4'-P-C4' energy: -23.072
flat angles P-C4'-P energy: -19.698
tors. eta vs tors. theta energy: -19.026
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -341.079694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.079694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.375772 (E_RNA)
where:
Base-Base interactions energy: -231.262
where: short stacking energy: -91.947
Base-Backbone interact. energy: -1.351
local terms energy: -108.763539
where:
bonds (distance) C4'-P energy: -21.860
bonds (distance) P-C4' energy: -17.936
flat angles C4'-P-C4' energy: -25.762
flat angles P-C4'-P energy: -15.427
tors. eta vs tors. theta energy: -27.778
Dist. restrs. and SS energy: 0.296 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -343.082075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.082075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.137016 (E_RNA)
where:
Base-Base interactions energy: -237.961
where: short stacking energy: -92.642
Base-Backbone interact. energy: -0.153
local terms energy: -105.022945
where:
bonds (distance) C4'-P energy: -18.384
bonds (distance) P-C4' energy: -20.907
flat angles C4'-P-C4' energy: -26.780
flat angles P-C4'-P energy: -16.022
tors. eta vs tors. theta energy: -22.930
Dist. restrs. and SS energy: 0.055 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -322.414724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.414724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.485112 (E_RNA)
where:
Base-Base interactions energy: -214.563
where: short stacking energy: -84.305
Base-Backbone interact. energy: -0.442
local terms energy: -107.480264
where:
bonds (distance) C4'-P energy: -21.791
bonds (distance) P-C4' energy: -23.807
flat angles C4'-P-C4' energy: -24.131
flat angles P-C4'-P energy: -12.506
tors. eta vs tors. theta energy: -25.246
Dist. restrs. and SS energy: 0.070 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -423.656844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.656844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.869131 (E_RNA)
where:
Base-Base interactions energy: -299.458
where: short stacking energy: -116.975
Base-Backbone interact. energy: -0.421
local terms energy: -123.990365
where:
bonds (distance) C4'-P energy: -30.005
bonds (distance) P-C4' energy: -15.758
flat angles C4'-P-C4' energy: -27.423
flat angles P-C4'-P energy: -13.728
tors. eta vs tors. theta energy: -37.076
Dist. restrs. and SS energy: 0.212 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -427.155045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.155045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.530093 (E_RNA)
where:
Base-Base interactions energy: -293.403
where: short stacking energy: -115.725
Base-Backbone interact. energy: -0.428
local terms energy: -133.699084
where:
bonds (distance) C4'-P energy: -18.569
bonds (distance) P-C4' energy: -30.915
flat angles C4'-P-C4' energy: -31.606
flat angles P-C4'-P energy: -22.868
tors. eta vs tors. theta energy: -29.740
Dist. restrs. and SS energy: 0.375 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -411.883562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.883562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.971210 (E_RNA)
where:
Base-Base interactions energy: -271.634
where: short stacking energy: -111.981
Base-Backbone interact. energy: -1.491
local terms energy: -138.846175
where:
bonds (distance) C4'-P energy: -30.820
bonds (distance) P-C4' energy: -30.728
flat angles C4'-P-C4' energy: -27.548
flat angles P-C4'-P energy: -19.645
tors. eta vs tors. theta energy: -30.104
Dist. restrs. and SS energy: 0.088 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -366.869407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.869407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.210100 (E_RNA)
where:
Base-Base interactions energy: -241.159
where: short stacking energy: -111.539
Base-Backbone interact. energy: -0.126
local terms energy: -125.925299
where:
bonds (distance) C4'-P energy: -22.775
bonds (distance) P-C4' energy: -27.776
flat angles C4'-P-C4' energy: -27.921
flat angles P-C4'-P energy: -18.623
tors. eta vs tors. theta energy: -28.829
Dist. restrs. and SS energy: 0.341 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -381.159575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.159575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.207512 (E_RNA)
where:
Base-Base interactions energy: -260.703
where: short stacking energy: -97.563
Base-Backbone interact. energy: 0.753
local terms energy: -121.257719
where:
bonds (distance) C4'-P energy: -22.122
bonds (distance) P-C4' energy: -27.291
flat angles C4'-P-C4' energy: -28.862
flat angles P-C4'-P energy: -14.189
tors. eta vs tors. theta energy: -28.793
Dist. restrs. and SS energy: 0.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -373.834687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.834687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.980450 (E_RNA)
where:
Base-Base interactions energy: -245.681
where: short stacking energy: -97.169
Base-Backbone interact. energy: -3.539
local terms energy: -124.759667
where:
bonds (distance) C4'-P energy: -23.237
bonds (distance) P-C4' energy: -27.839
flat angles C4'-P-C4' energy: -28.607
flat angles P-C4'-P energy: -19.628
tors. eta vs tors. theta energy: -25.449
Dist. restrs. and SS energy: 0.146 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -336.372787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.372787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.538638 (E_RNA)
where:
Base-Base interactions energy: -230.765
where: short stacking energy: -92.641
Base-Backbone interact. energy: -0.037
local terms energy: -105.736299
where:
bonds (distance) C4'-P energy: -20.502
bonds (distance) P-C4' energy: -18.186
flat angles C4'-P-C4' energy: -24.998
flat angles P-C4'-P energy: -15.563
tors. eta vs tors. theta energy: -26.486
Dist. restrs. and SS energy: 0.166 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -342.816696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.816696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.889923 (E_RNA)
where:
Base-Base interactions energy: -245.534
where: short stacking energy: -102.310
Base-Backbone interact. energy: -0.540
local terms energy: -96.815935
where:
bonds (distance) C4'-P energy: -18.778
bonds (distance) P-C4' energy: -16.211
flat angles C4'-P-C4' energy: -20.599
flat angles P-C4'-P energy: -15.108
tors. eta vs tors. theta energy: -26.120
Dist. restrs. and SS energy: 0.073 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -345.027383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.027383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.342103 (E_RNA)
where:
Base-Base interactions energy: -235.446
where: short stacking energy: -104.036
Base-Backbone interact. energy: -0.376
local terms energy: -109.520448
where:
bonds (distance) C4'-P energy: -24.987
bonds (distance) P-C4' energy: -20.660
flat angles C4'-P-C4' energy: -19.566
flat angles P-C4'-P energy: -13.781
tors. eta vs tors. theta energy: -30.526
Dist. restrs. and SS energy: 0.315 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -289.038504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.038504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.341432 (E_RNA)
where:
Base-Base interactions energy: -186.464
where: short stacking energy: -73.753
Base-Backbone interact. energy: -0.516
local terms energy: -102.360743
where:
bonds (distance) C4'-P energy: -23.185
bonds (distance) P-C4' energy: -24.570
flat angles C4'-P-C4' energy: -29.061
flat angles P-C4'-P energy: -9.618
tors. eta vs tors. theta energy: -15.926
Dist. restrs. and SS energy: 0.303 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -420.552900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.552900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.701008 (E_RNA)
where:
Base-Base interactions energy: -281.538
where: short stacking energy: -111.244
Base-Backbone interact. energy: -0.613
local terms energy: -138.549580
where:
bonds (distance) C4'-P energy: -30.832
bonds (distance) P-C4' energy: -26.767
flat angles C4'-P-C4' energy: -26.400
flat angles P-C4'-P energy: -19.166
tors. eta vs tors. theta energy: -35.385
Dist. restrs. and SS energy: 0.148 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -414.614744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.614744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.744312 (E_RNA)
where:
Base-Base interactions energy: -278.542
where: short stacking energy: -117.432
Base-Backbone interact. energy: -0.700
local terms energy: -135.501494
where:
bonds (distance) C4'-P energy: -27.695
bonds (distance) P-C4' energy: -22.623
flat angles C4'-P-C4' energy: -32.327
flat angles P-C4'-P energy: -18.949
tors. eta vs tors. theta energy: -33.907
Dist. restrs. and SS energy: 0.130 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -433.292091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.292091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.606194 (E_RNA)
where:
Base-Base interactions energy: -296.285
where: short stacking energy: -122.016
Base-Backbone interact. energy: -0.520
local terms energy: -136.801157
where:
bonds (distance) C4'-P energy: -24.591
bonds (distance) P-C4' energy: -30.030
flat angles C4'-P-C4' energy: -28.198
flat angles P-C4'-P energy: -22.333
tors. eta vs tors. theta energy: -31.650
Dist. restrs. and SS energy: 0.314 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -393.410581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.410581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.889868 (E_RNA)
where:
Base-Base interactions energy: -267.622
where: short stacking energy: -107.724
Base-Backbone interact. energy: -0.335
local terms energy: -125.932757
where:
bonds (distance) C4'-P energy: -29.388
bonds (distance) P-C4' energy: -25.615
flat angles C4'-P-C4' energy: -27.740
flat angles P-C4'-P energy: -12.833
tors. eta vs tors. theta energy: -30.356
Dist. restrs. and SS energy: 0.479 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -350.064069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.064069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.250543 (E_RNA)
where:
Base-Base interactions energy: -232.117
where: short stacking energy: -101.339
Base-Backbone interact. energy: 2.159
local terms energy: -120.292157
where:
bonds (distance) C4'-P energy: -23.237
bonds (distance) P-C4' energy: -27.700
flat angles C4'-P-C4' energy: -23.975
flat angles P-C4'-P energy: -19.554
tors. eta vs tors. theta energy: -25.826
Dist. restrs. and SS energy: 0.186 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -374.675125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.675125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.733041 (E_RNA)
where:
Base-Base interactions energy: -250.808
where: short stacking energy: -90.666
Base-Backbone interact. energy: -0.772
local terms energy: -123.153380
where:
bonds (distance) C4'-P energy: -29.830
bonds (distance) P-C4' energy: -24.088
flat angles C4'-P-C4' energy: -22.902
flat angles P-C4'-P energy: -15.496
tors. eta vs tors. theta energy: -30.837
Dist. restrs. and SS energy: 0.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -355.551057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.551057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.762450 (E_RNA)
where:
Base-Base interactions energy: -236.355
where: short stacking energy: -104.030
Base-Backbone interact. energy: -1.678
local terms energy: -117.729179
where:
bonds (distance) C4'-P energy: -23.443
bonds (distance) P-C4' energy: -24.356
flat angles C4'-P-C4' energy: -24.610
flat angles P-C4'-P energy: -13.496
tors. eta vs tors. theta energy: -31.825
Dist. restrs. and SS energy: 0.211 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -337.719579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.719579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.042857 (E_RNA)
where:
Base-Base interactions energy: -234.653
where: short stacking energy: -96.009
Base-Backbone interact. energy: -0.454
local terms energy: -102.935852
where:
bonds (distance) C4'-P energy: -24.926
bonds (distance) P-C4' energy: -21.750
flat angles C4'-P-C4' energy: -25.360
flat angles P-C4'-P energy: -9.919
tors. eta vs tors. theta energy: -20.982
Dist. restrs. and SS energy: 0.323 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -322.191552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.191552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.504301 (E_RNA)
where:
Base-Base interactions energy: -220.773
where: short stacking energy: -78.740
Base-Backbone interact. energy: -1.088
local terms energy: -100.643181
where:
bonds (distance) C4'-P energy: -17.096
bonds (distance) P-C4' energy: -24.214
flat angles C4'-P-C4' energy: -22.461
flat angles P-C4'-P energy: -13.863
tors. eta vs tors. theta energy: -23.008
Dist. restrs. and SS energy: 0.313 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -306.432327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.432327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.498265 (E_RNA)
where:
Base-Base interactions energy: -193.637
where: short stacking energy: -82.859
Base-Backbone interact. energy: -0.633
local terms energy: -113.227822
where:
bonds (distance) C4'-P energy: -26.354
bonds (distance) P-C4' energy: -22.130
flat angles C4'-P-C4' energy: -25.175
flat angles P-C4'-P energy: -17.135
tors. eta vs tors. theta energy: -22.434
Dist. restrs. and SS energy: 1.066 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -420.067877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.067877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.446243 (E_RNA)
where:
Base-Base interactions energy: -291.434
where: short stacking energy: -123.407
Base-Backbone interact. energy: -0.367
local terms energy: -128.645089
where:
bonds (distance) C4'-P energy: -19.885
bonds (distance) P-C4' energy: -27.222
flat angles C4'-P-C4' energy: -26.534
flat angles P-C4'-P energy: -19.881
tors. eta vs tors. theta energy: -35.122
Dist. restrs. and SS energy: 0.378 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -426.462223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.462223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.689893 (E_RNA)
where:
Base-Base interactions energy: -293.856
where: short stacking energy: -119.302
Base-Backbone interact. energy: -0.224
local terms energy: -132.609823
where:
bonds (distance) C4'-P energy: -24.316
bonds (distance) P-C4' energy: -22.125
flat angles C4'-P-C4' energy: -29.435
flat angles P-C4'-P energy: -20.551
tors. eta vs tors. theta energy: -36.184
Dist. restrs. and SS energy: 0.228 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -418.002991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.002991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.087092 (E_RNA)
where:
Base-Base interactions energy: -290.362
where: short stacking energy: -110.554
Base-Backbone interact. energy: -0.534
local terms energy: -127.190691
where:
bonds (distance) C4'-P energy: -28.943
bonds (distance) P-C4' energy: -25.780
flat angles C4'-P-C4' energy: -26.527
flat angles P-C4'-P energy: -16.368
tors. eta vs tors. theta energy: -29.572
Dist. restrs. and SS energy: 0.084 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -381.617781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.617781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.850149 (E_RNA)
where:
Base-Base interactions energy: -261.416
where: short stacking energy: -105.932
Base-Backbone interact. energy: -0.659
local terms energy: -119.774796
where:
bonds (distance) C4'-P energy: -20.725
bonds (distance) P-C4' energy: -24.694
flat angles C4'-P-C4' energy: -25.475
flat angles P-C4'-P energy: -18.021
tors. eta vs tors. theta energy: -30.861
Dist. restrs. and SS energy: 0.232 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -378.501869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.501869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.563760 (E_RNA)
where:
Base-Base interactions energy: -257.643
where: short stacking energy: -100.458
Base-Backbone interact. energy: 1.505
local terms energy: -122.426315
where:
bonds (distance) C4'-P energy: -23.002
bonds (distance) P-C4' energy: -24.553
flat angles C4'-P-C4' energy: -29.413
flat angles P-C4'-P energy: -17.562
tors. eta vs tors. theta energy: -27.895
Dist. restrs. and SS energy: 0.062 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -345.511212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.511212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.247147 (E_RNA)
where:
Base-Base interactions energy: -230.686
where: short stacking energy: -99.756
Base-Backbone interact. energy: -0.307
local terms energy: -116.254504
where:
bonds (distance) C4'-P energy: -24.802
bonds (distance) P-C4' energy: -24.151
flat angles C4'-P-C4' energy: -24.078
flat angles P-C4'-P energy: -18.817
tors. eta vs tors. theta energy: -24.405
Dist. restrs. and SS energy: 1.736 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -349.942604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.942604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.336767 (E_RNA)
where:
Base-Base interactions energy: -230.413
where: short stacking energy: -86.272
Base-Backbone interact. energy: -0.796
local terms energy: -119.127435
where:
bonds (distance) C4'-P energy: -25.989
bonds (distance) P-C4' energy: -23.882
flat angles C4'-P-C4' energy: -28.554
flat angles P-C4'-P energy: -19.105
tors. eta vs tors. theta energy: -21.597
Dist. restrs. and SS energy: 0.394 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -338.928120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.928120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.791690 (E_RNA)
where:
Base-Base interactions energy: -236.749
where: short stacking energy: -95.391
Base-Backbone interact. energy: -0.266
local terms energy: -102.777419
where:
bonds (distance) C4'-P energy: -19.613
bonds (distance) P-C4' energy: -18.608
flat angles C4'-P-C4' energy: -23.530
flat angles P-C4'-P energy: -16.294
tors. eta vs tors. theta energy: -24.731
Dist. restrs. and SS energy: 0.864 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -336.525147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.525147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.721075 (E_RNA)
where:
Base-Base interactions energy: -231.976
where: short stacking energy: -84.938
Base-Backbone interact. energy: -0.026
local terms energy: -104.719057
where:
bonds (distance) C4'-P energy: -14.888
bonds (distance) P-C4' energy: -26.224
flat angles C4'-P-C4' energy: -26.513
flat angles P-C4'-P energy: -16.361
tors. eta vs tors. theta energy: -20.733
Dist. restrs. and SS energy: 0.196 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -320.210629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.210629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.463455 (E_RNA)
where:
Base-Base interactions energy: -207.985
where: short stacking energy: -78.596
Base-Backbone interact. energy: 2.861
local terms energy: -115.339958
where:
bonds (distance) C4'-P energy: -26.078
bonds (distance) P-C4' energy: -25.701
flat angles C4'-P-C4' energy: -23.344
flat angles P-C4'-P energy: -17.955
tors. eta vs tors. theta energy: -22.262
Dist. restrs. and SS energy: 0.253 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -413.503265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.503265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.533266 (E_RNA)
where:
Base-Base interactions energy: -275.392
where: short stacking energy: -108.031
Base-Backbone interact. energy: -0.608
local terms energy: -137.533498
where:
bonds (distance) C4'-P energy: -27.917
bonds (distance) P-C4' energy: -29.155
flat angles C4'-P-C4' energy: -27.530
flat angles P-C4'-P energy: -20.663
tors. eta vs tors. theta energy: -32.269
Dist. restrs. and SS energy: 0.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -422.327298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.327298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.572821 (E_RNA)
where:
Base-Base interactions energy: -298.318
where: short stacking energy: -103.719
Base-Backbone interact. energy: 1.356
local terms energy: -125.610426
where:
bonds (distance) C4'-P energy: -25.394
bonds (distance) P-C4' energy: -28.328
flat angles C4'-P-C4' energy: -24.319
flat angles P-C4'-P energy: -17.653
tors. eta vs tors. theta energy: -29.916
Dist. restrs. and SS energy: 0.246 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -410.670695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.670695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.841029 (E_RNA)
where:
Base-Base interactions energy: -291.445
where: short stacking energy: -114.338
Base-Backbone interact. energy: -0.638
local terms energy: -118.758065
where:
bonds (distance) C4'-P energy: -22.739
bonds (distance) P-C4' energy: -18.715
flat angles C4'-P-C4' energy: -30.564
flat angles P-C4'-P energy: -16.131
tors. eta vs tors. theta energy: -30.609
Dist. restrs. and SS energy: 0.170 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -396.589755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.589755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.784239 (E_RNA)
where:
Base-Base interactions energy: -266.433
where: short stacking energy: -106.522
Base-Backbone interact. energy: -0.535
local terms energy: -129.815552
where:
bonds (distance) C4'-P energy: -24.789
bonds (distance) P-C4' energy: -26.693
flat angles C4'-P-C4' energy: -23.129
flat angles P-C4'-P energy: -22.244
tors. eta vs tors. theta energy: -32.962
Dist. restrs. and SS energy: 0.194 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -378.135846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.135846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.399437 (E_RNA)
where:
Base-Base interactions energy: -245.869
where: short stacking energy: -91.434
Base-Backbone interact. energy: 0.124
local terms energy: -132.655038
where:
bonds (distance) C4'-P energy: -22.592
bonds (distance) P-C4' energy: -28.370
flat angles C4'-P-C4' energy: -30.523
flat angles P-C4'-P energy: -19.241
tors. eta vs tors. theta energy: -31.929
Dist. restrs. and SS energy: 0.264 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -378.688837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.688837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.704764 (E_RNA)
where:
Base-Base interactions energy: -261.095
where: short stacking energy: -110.371
Base-Backbone interact. energy: -0.130
local terms energy: -117.480465
where:
bonds (distance) C4'-P energy: -24.437
bonds (distance) P-C4' energy: -25.475
flat angles C4'-P-C4' energy: -22.009
flat angles P-C4'-P energy: -20.217
tors. eta vs tors. theta energy: -25.342
Dist. restrs. and SS energy: 0.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -346.315664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.315664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.472852 (E_RNA)
where:
Base-Base interactions energy: -242.089
where: short stacking energy: -100.471
Base-Backbone interact. energy: 0.135
local terms energy: -104.519262
where:
bonds (distance) C4'-P energy: -21.637
bonds (distance) P-C4' energy: -26.481
flat angles C4'-P-C4' energy: -21.440
flat angles P-C4'-P energy: -10.505
tors. eta vs tors. theta energy: -24.456
Dist. restrs. and SS energy: 0.157 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -355.542378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.542378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.007525 (E_RNA)
where:
Base-Base interactions energy: -231.159
where: short stacking energy: -91.884
Base-Backbone interact. energy: -0.533
local terms energy: -124.315574
where:
bonds (distance) C4'-P energy: -28.882
bonds (distance) P-C4' energy: -24.507
flat angles C4'-P-C4' energy: -26.300
flat angles P-C4'-P energy: -15.966
tors. eta vs tors. theta energy: -28.660
Dist. restrs. and SS energy: 0.465 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -332.055850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.055850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.237046 (E_RNA)
where:
Base-Base interactions energy: -225.641
where: short stacking energy: -81.876
Base-Backbone interact. energy: -0.689
local terms energy: -105.907299
where:
bonds (distance) C4'-P energy: -21.228
bonds (distance) P-C4' energy: -29.910
flat angles C4'-P-C4' energy: -22.086
flat angles P-C4'-P energy: -14.022
tors. eta vs tors. theta energy: -18.661
Dist. restrs. and SS energy: 0.181 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -317.426918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.426918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.803369 (E_RNA)
where:
Base-Base interactions energy: -214.994
where: short stacking energy: -80.849
Base-Backbone interact. energy: -1.620
local terms energy: -101.189817
where:
bonds (distance) C4'-P energy: -26.050
bonds (distance) P-C4' energy: -13.960
flat angles C4'-P-C4' energy: -25.502
flat angles P-C4'-P energy: -13.474
tors. eta vs tors. theta energy: -22.205
Dist. restrs. and SS energy: 0.376 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -432.848849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.848849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.039219 (E_RNA)
where:
Base-Base interactions energy: -299.161
where: short stacking energy: -104.794
Base-Backbone interact. energy: -0.081
local terms energy: -133.796649
where:
bonds (distance) C4'-P energy: -27.407
bonds (distance) P-C4' energy: -26.613
flat angles C4'-P-C4' energy: -29.724
flat angles P-C4'-P energy: -20.722
tors. eta vs tors. theta energy: -29.331
Dist. restrs. and SS energy: 0.190 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -403.647928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.647928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.180647 (E_RNA)
where:
Base-Base interactions energy: -276.550
where: short stacking energy: -118.704
Base-Backbone interact. energy: -0.792
local terms energy: -126.838775
where:
bonds (distance) C4'-P energy: -23.609
bonds (distance) P-C4' energy: -23.659
flat angles C4'-P-C4' energy: -30.046
flat angles P-C4'-P energy: -20.256
tors. eta vs tors. theta energy: -29.269
Dist. restrs. and SS energy: 0.533 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -402.269463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.269463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.661352 (E_RNA)
where:
Base-Base interactions energy: -269.497
where: short stacking energy: -115.531
Base-Backbone interact. energy: -0.407
local terms energy: -132.757427
where:
bonds (distance) C4'-P energy: -25.449
bonds (distance) P-C4' energy: -32.544
flat angles C4'-P-C4' energy: -28.241
flat angles P-C4'-P energy: -17.308
tors. eta vs tors. theta energy: -29.215
Dist. restrs. and SS energy: 0.392 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -387.714646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.714646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.785489 (E_RNA)
where:
Base-Base interactions energy: -261.996
where: short stacking energy: -111.713
Base-Backbone interact. energy: -0.861
local terms energy: -124.928639
where:
bonds (distance) C4'-P energy: -25.934
bonds (distance) P-C4' energy: -21.900
flat angles C4'-P-C4' energy: -24.454
flat angles P-C4'-P energy: -18.316
tors. eta vs tors. theta energy: -34.324
Dist. restrs. and SS energy: 0.071 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -390.742174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.742174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.943447 (E_RNA)
where:
Base-Base interactions energy: -262.862
where: short stacking energy: -110.202
Base-Backbone interact. energy: -0.380
local terms energy: -127.701400
where:
bonds (distance) C4'-P energy: -26.729
bonds (distance) P-C4' energy: -23.694
flat angles C4'-P-C4' energy: -29.941
flat angles P-C4'-P energy: -16.596
tors. eta vs tors. theta energy: -30.741
Dist. restrs. and SS energy: 0.201 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -385.203490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.203490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.793481 (E_RNA)
where:
Base-Base interactions energy: -257.845
where: short stacking energy: -105.250
Base-Backbone interact. energy: -0.646
local terms energy: -127.302597
where:
bonds (distance) C4'-P energy: -23.939
bonds (distance) P-C4' energy: -27.182
flat angles C4'-P-C4' energy: -28.446
flat angles P-C4'-P energy: -16.950
tors. eta vs tors. theta energy: -30.785
Dist. restrs. and SS energy: 0.590 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -344.826923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.826923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.906529 (E_RNA)
where:
Base-Base interactions energy: -234.253
where: short stacking energy: -90.015
Base-Backbone interact. energy: -0.298
local terms energy: -110.355647
where:
bonds (distance) C4'-P energy: -25.469
bonds (distance) P-C4' energy: -21.495
flat angles C4'-P-C4' energy: -25.863
flat angles P-C4'-P energy: -15.942
tors. eta vs tors. theta energy: -21.587
Dist. restrs. and SS energy: 0.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -351.793472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.793472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.133166 (E_RNA)
where:
Base-Base interactions energy: -246.562
where: short stacking energy: -109.244
Base-Backbone interact. energy: 0.384
local terms energy: -105.955429
where:
bonds (distance) C4'-P energy: -24.365
bonds (distance) P-C4' energy: -27.752
flat angles C4'-P-C4' energy: -18.657
flat angles P-C4'-P energy: -12.540
tors. eta vs tors. theta energy: -22.642
Dist. restrs. and SS energy: 0.340 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -342.838490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.838490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.176208 (E_RNA)
where:
Base-Base interactions energy: -234.895
where: short stacking energy: -93.284
Base-Backbone interact. energy: -0.526
local terms energy: -107.755135
where:
bonds (distance) C4'-P energy: -25.707
bonds (distance) P-C4' energy: -22.313
flat angles C4'-P-C4' energy: -25.304
flat angles P-C4'-P energy: -10.441
tors. eta vs tors. theta energy: -23.990
Dist. restrs. and SS energy: 0.338 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -318.331778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.331778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.431880 (E_RNA)
where:
Base-Base interactions energy: -222.313
where: short stacking energy: -91.120
Base-Backbone interact. energy: -0.296
local terms energy: -95.822767
where:
bonds (distance) C4'-P energy: -21.522
bonds (distance) P-C4' energy: -16.409
flat angles C4'-P-C4' energy: -21.755
flat angles P-C4'-P energy: -8.671
tors. eta vs tors. theta energy: -27.465
Dist. restrs. and SS energy: 0.100 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -433.537952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.537952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.800334 (E_RNA)
where:
Base-Base interactions energy: -306.280
where: short stacking energy: -100.386
Base-Backbone interact. energy: -0.190
local terms energy: -127.330347
where:
bonds (distance) C4'-P energy: -25.597
bonds (distance) P-C4' energy: -29.404
flat angles C4'-P-C4' energy: -27.536
flat angles P-C4'-P energy: -18.411
tors. eta vs tors. theta energy: -26.382
Dist. restrs. and SS energy: 0.262 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -410.733019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.733019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.845643 (E_RNA)
where:
Base-Base interactions energy: -276.300
where: short stacking energy: -126.031
Base-Backbone interact. energy: -0.135
local terms energy: -134.410792
where:
bonds (distance) C4'-P energy: -22.925
bonds (distance) P-C4' energy: -26.149
flat angles C4'-P-C4' energy: -31.601
flat angles P-C4'-P energy: -20.357
tors. eta vs tors. theta energy: -33.378
Dist. restrs. and SS energy: 0.113 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -412.093471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.093471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.183169 (E_RNA)
where:
Base-Base interactions energy: -276.167
where: short stacking energy: -119.354
Base-Backbone interact. energy: -0.662
local terms energy: -135.354420
where:
bonds (distance) C4'-P energy: -24.627
bonds (distance) P-C4' energy: -29.369
flat angles C4'-P-C4' energy: -28.611
flat angles P-C4'-P energy: -20.502
tors. eta vs tors. theta energy: -32.246
Dist. restrs. and SS energy: 0.090 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -379.375086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.375086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.806485 (E_RNA)
where:
Base-Base interactions energy: -254.615
where: short stacking energy: -113.218
Base-Backbone interact. energy: -0.250
local terms energy: -124.941273
where:
bonds (distance) C4'-P energy: -21.746
bonds (distance) P-C4' energy: -27.993
flat angles C4'-P-C4' energy: -31.475
flat angles P-C4'-P energy: -14.264
tors. eta vs tors. theta energy: -29.464
Dist. restrs. and SS energy: 0.431 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -381.936381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.936381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.129012 (E_RNA)
where:
Base-Base interactions energy: -255.704
where: short stacking energy: -115.729
Base-Backbone interact. energy: -0.350
local terms energy: -126.074839
where:
bonds (distance) C4'-P energy: -25.645
bonds (distance) P-C4' energy: -28.133
flat angles C4'-P-C4' energy: -22.118
flat angles P-C4'-P energy: -20.843
tors. eta vs tors. theta energy: -29.337
Dist. restrs. and SS energy: 0.193 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -378.937434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.937434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.043249 (E_RNA)
where:
Base-Base interactions energy: -259.797
where: short stacking energy: -110.091
Base-Backbone interact. energy: -0.766
local terms energy: -118.479686
where:
bonds (distance) C4'-P energy: -20.761
bonds (distance) P-C4' energy: -20.061
flat angles C4'-P-C4' energy: -25.280
flat angles P-C4'-P energy: -18.787
tors. eta vs tors. theta energy: -33.590
Dist. restrs. and SS energy: 0.106 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -375.457274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.457274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.303500 (E_RNA)
where:
Base-Base interactions energy: -248.238
where: short stacking energy: -106.135
Base-Backbone interact. energy: -0.183
local terms energy: -127.882093
where:
bonds (distance) C4'-P energy: -25.242
bonds (distance) P-C4' energy: -23.745
flat angles C4'-P-C4' energy: -31.449
flat angles P-C4'-P energy: -14.985
tors. eta vs tors. theta energy: -32.461
Dist. restrs. and SS energy: 0.846 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -335.796151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.796151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.175624 (E_RNA)
where:
Base-Base interactions energy: -220.659
where: short stacking energy: -86.015
Base-Backbone interact. energy: -0.545
local terms energy: -114.971568
where:
bonds (distance) C4'-P energy: -22.847
bonds (distance) P-C4' energy: -27.244
flat angles C4'-P-C4' energy: -19.353
flat angles P-C4'-P energy: -15.829
tors. eta vs tors. theta energy: -29.699
Dist. restrs. and SS energy: 0.379 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -332.201387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.201387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.249456 (E_RNA)
where:
Base-Base interactions energy: -224.976
where: short stacking energy: -84.886
Base-Backbone interact. energy: -1.313
local terms energy: -105.961334
where:
bonds (distance) C4'-P energy: -25.314
bonds (distance) P-C4' energy: -20.758
flat angles C4'-P-C4' energy: -24.644
flat angles P-C4'-P energy: -14.791
tors. eta vs tors. theta energy: -20.453
Dist. restrs. and SS energy: 0.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -311.586239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.586239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.314952 (E_RNA)
where:
Base-Base interactions energy: -218.667
where: short stacking energy: -80.758
Base-Backbone interact. energy: -0.588
local terms energy: -93.059663
where:
bonds (distance) C4'-P energy: -19.300
bonds (distance) P-C4' energy: -17.423
flat angles C4'-P-C4' energy: -27.227
flat angles P-C4'-P energy: -8.847
tors. eta vs tors. theta energy: -20.264
Dist. restrs. and SS energy: 0.729 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -421.385250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.385250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.799520 (E_RNA)
where:
Base-Base interactions energy: -277.819
where: short stacking energy: -121.964
Base-Backbone interact. energy: -2.413
local terms energy: -141.567934
where:
bonds (distance) C4'-P energy: -27.590
bonds (distance) P-C4' energy: -31.238
flat angles C4'-P-C4' energy: -28.805
flat angles P-C4'-P energy: -18.675
tors. eta vs tors. theta energy: -35.259
Dist. restrs. and SS energy: 0.414 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -436.202400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.202400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.619832 (E_RNA)
where:
Base-Base interactions energy: -304.013
where: short stacking energy: -98.522
Base-Backbone interact. energy: 1.605
local terms energy: -134.211708
where:
bonds (distance) C4'-P energy: -28.556
bonds (distance) P-C4' energy: -32.169
flat angles C4'-P-C4' energy: -26.981
flat angles P-C4'-P energy: -15.751
tors. eta vs tors. theta energy: -30.754
Dist. restrs. and SS energy: 0.417 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -388.300508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.300508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.573375 (E_RNA)
where:
Base-Base interactions energy: -266.094
where: short stacking energy: -95.607
Base-Backbone interact. energy: -1.568
local terms energy: -120.911035
where:
bonds (distance) C4'-P energy: -21.610
bonds (distance) P-C4' energy: -28.733
flat angles C4'-P-C4' energy: -28.983
flat angles P-C4'-P energy: -16.321
tors. eta vs tors. theta energy: -25.265
Dist. restrs. and SS energy: 0.273 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -417.250375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.250375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.395788 (E_RNA)
where:
Base-Base interactions energy: -280.705
where: short stacking energy: -123.661
Base-Backbone interact. energy: -0.880
local terms energy: -135.811067
where:
bonds (distance) C4'-P energy: -23.053
bonds (distance) P-C4' energy: -26.102
flat angles C4'-P-C4' energy: -34.392
flat angles P-C4'-P energy: -16.804
tors. eta vs tors. theta energy: -35.460
Dist. restrs. and SS energy: 0.145 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -375.902864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.902864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.348651 (E_RNA)
where:
Base-Base interactions energy: -255.654
where: short stacking energy: -104.056
Base-Backbone interact. energy: -0.064
local terms energy: -120.630595
where:
bonds (distance) C4'-P energy: -28.884
bonds (distance) P-C4' energy: -20.092
flat angles C4'-P-C4' energy: -24.788
flat angles P-C4'-P energy: -19.134
tors. eta vs tors. theta energy: -27.733
Dist. restrs. and SS energy: 0.446 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -365.520038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.520038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.800802 (E_RNA)
where:
Base-Base interactions energy: -252.056
where: short stacking energy: -104.298
Base-Backbone interact. energy: -0.723
local terms energy: -113.021809
where:
bonds (distance) C4'-P energy: -14.539
bonds (distance) P-C4' energy: -25.490
flat angles C4'-P-C4' energy: -23.336
flat angles P-C4'-P energy: -17.655
tors. eta vs tors. theta energy: -32.002
Dist. restrs. and SS energy: 0.281 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -362.043512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.043512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.267144 (E_RNA)
where:
Base-Base interactions energy: -245.358
where: short stacking energy: -84.549
Base-Backbone interact. energy: 1.108
local terms energy: -118.017633
where:
bonds (distance) C4'-P energy: -23.288
bonds (distance) P-C4' energy: -31.246
flat angles C4'-P-C4' energy: -27.471
flat angles P-C4'-P energy: -16.206
tors. eta vs tors. theta energy: -19.806
Dist. restrs. and SS energy: 0.224 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -326.892764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.892764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.942440 (E_RNA)
where:
Base-Base interactions energy: -215.791
where: short stacking energy: -77.340
Base-Backbone interact. energy: -1.095
local terms energy: -110.056535
where:
bonds (distance) C4'-P energy: -28.878
bonds (distance) P-C4' energy: -22.702
flat angles C4'-P-C4' energy: -20.548
flat angles P-C4'-P energy: -11.255
tors. eta vs tors. theta energy: -26.672
Dist. restrs. and SS energy: 0.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -325.046065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.046065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.335207 (E_RNA)
where:
Base-Base interactions energy: -228.397
where: short stacking energy: -89.129
Base-Backbone interact. energy: 0.133
local terms energy: -97.071102
where:
bonds (distance) C4'-P energy: -13.061
bonds (distance) P-C4' energy: -23.368
flat angles C4'-P-C4' energy: -28.036
flat angles P-C4'-P energy: -7.057
tors. eta vs tors. theta energy: -25.549
Dist. restrs. and SS energy: 0.289 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -310.527060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.527060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.185360 (E_RNA)
where:
Base-Base interactions energy: -212.944
where: short stacking energy: -81.992
Base-Backbone interact. energy: -0.710
local terms energy: -97.531421
where:
bonds (distance) C4'-P energy: -16.996
bonds (distance) P-C4' energy: -21.386
flat angles C4'-P-C4' energy: -23.805
flat angles P-C4'-P energy: -13.628
tors. eta vs tors. theta energy: -21.716
Dist. restrs. and SS energy: 0.658 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -423.665664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.665664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.896365 (E_RNA)
where:
Base-Base interactions energy: -280.339
where: short stacking energy: -117.328
Base-Backbone interact. energy: -1.278
local terms energy: -142.279800
where:
bonds (distance) C4'-P energy: -27.497
bonds (distance) P-C4' energy: -29.575
flat angles C4'-P-C4' energy: -26.674
flat angles P-C4'-P energy: -23.224
tors. eta vs tors. theta energy: -35.310
Dist. restrs. and SS energy: 0.231 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -430.617089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.617089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.829828 (E_RNA)
where:
Base-Base interactions energy: -301.415
where: short stacking energy: -114.745
Base-Backbone interact. energy: -1.382
local terms energy: -128.032945
where:
bonds (distance) C4'-P energy: -28.908
bonds (distance) P-C4' energy: -21.362
flat angles C4'-P-C4' energy: -30.997
flat angles P-C4'-P energy: -18.275
tors. eta vs tors. theta energy: -28.491
Dist. restrs. and SS energy: 0.213 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -399.443541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.443541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.484184 (E_RNA)
where:
Base-Base interactions energy: -271.479
where: short stacking energy: -111.513
Base-Backbone interact. energy: -1.236
local terms energy: -126.768653
where:
bonds (distance) C4'-P energy: -26.276
bonds (distance) P-C4' energy: -29.514
flat angles C4'-P-C4' energy: -24.676
flat angles P-C4'-P energy: -16.261
tors. eta vs tors. theta energy: -30.041
Dist. restrs. and SS energy: 0.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -392.078893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.078893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.550584 (E_RNA)
where:
Base-Base interactions energy: -262.951
where: short stacking energy: -103.647
Base-Backbone interact. energy: 1.377
local terms energy: -130.976558
where:
bonds (distance) C4'-P energy: -28.009
bonds (distance) P-C4' energy: -29.205
flat angles C4'-P-C4' energy: -27.968
flat angles P-C4'-P energy: -14.211
tors. eta vs tors. theta energy: -31.583
Dist. restrs. and SS energy: 0.472 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -376.925606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.925606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.579117 (E_RNA)
where:
Base-Base interactions energy: -251.712
where: short stacking energy: -102.496
Base-Backbone interact. energy: -0.612
local terms energy: -125.255251
where:
bonds (distance) C4'-P energy: -22.912
bonds (distance) P-C4' energy: -26.105
flat angles C4'-P-C4' energy: -28.131
flat angles P-C4'-P energy: -18.948
tors. eta vs tors. theta energy: -29.159
Dist. restrs. and SS energy: 0.654 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -386.845837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.845837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.053462 (E_RNA)
where:
Base-Base interactions energy: -261.733
where: short stacking energy: -113.433
Base-Backbone interact. energy: -0.144
local terms energy: -125.175703
where:
bonds (distance) C4'-P energy: -24.903
bonds (distance) P-C4' energy: -31.753
flat angles C4'-P-C4' energy: -26.376
flat angles P-C4'-P energy: -16.736
tors. eta vs tors. theta energy: -25.408
Dist. restrs. and SS energy: 0.208 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -369.430095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.430095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.598155 (E_RNA)
where:
Base-Base interactions energy: -246.973
where: short stacking energy: -91.346
Base-Backbone interact. energy: 1.287
local terms energy: -123.912374
where:
bonds (distance) C4'-P energy: -24.970
bonds (distance) P-C4' energy: -27.904
flat angles C4'-P-C4' energy: -21.619
flat angles P-C4'-P energy: -21.193
tors. eta vs tors. theta energy: -28.226
Dist. restrs. and SS energy: 0.168 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -321.206904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.206904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.580135 (E_RNA)
where:
Base-Base interactions energy: -208.681
where: short stacking energy: -82.404
Base-Backbone interact. energy: 0.339
local terms energy: -113.238373
where:
bonds (distance) C4'-P energy: -22.742
bonds (distance) P-C4' energy: -21.794
flat angles C4'-P-C4' energy: -30.849
flat angles P-C4'-P energy: -18.482
tors. eta vs tors. theta energy: -19.371
Dist. restrs. and SS energy: 0.373 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -329.198285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.198285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.529958 (E_RNA)
where:
Base-Base interactions energy: -223.607
where: short stacking energy: -93.317
Base-Backbone interact. energy: 0.794
local terms energy: -106.716846
where:
bonds (distance) C4'-P energy: -25.029
bonds (distance) P-C4' energy: -22.218
flat angles C4'-P-C4' energy: -18.019
flat angles P-C4'-P energy: -17.189
tors. eta vs tors. theta energy: -24.262
Dist. restrs. and SS energy: 0.332 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -316.920840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.920840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.204647 (E_RNA)
where:
Base-Base interactions energy: -219.014
where: short stacking energy: -94.216
Base-Backbone interact. energy: -0.412
local terms energy: -97.778696
where:
bonds (distance) C4'-P energy: -18.049
bonds (distance) P-C4' energy: -21.529
flat angles C4'-P-C4' energy: -21.384
flat angles P-C4'-P energy: -14.864
tors. eta vs tors. theta energy: -21.953
Dist. restrs. and SS energy: 0.284 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -430.539652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.539652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.629280 (E_RNA)
where:
Base-Base interactions energy: -295.845
where: short stacking energy: -127.261
Base-Backbone interact. energy: -2.207
local terms energy: -132.577145
where:
bonds (distance) C4'-P energy: -22.120
bonds (distance) P-C4' energy: -28.183
flat angles C4'-P-C4' energy: -29.908
flat angles P-C4'-P energy: -15.540
tors. eta vs tors. theta energy: -36.826
Dist. restrs. and SS energy: 0.090 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -426.603747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.603747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.924457 (E_RNA)
where:
Base-Base interactions energy: -296.473
where: short stacking energy: -113.108
Base-Backbone interact. energy: -0.517
local terms energy: -129.934157
where:
bonds (distance) C4'-P energy: -30.762
bonds (distance) P-C4' energy: -28.540
flat angles C4'-P-C4' energy: -28.072
flat angles P-C4'-P energy: -10.868
tors. eta vs tors. theta energy: -31.691
Dist. restrs. and SS energy: 0.321 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -388.128512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.128512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.462999 (E_RNA)
where:
Base-Base interactions energy: -263.663
where: short stacking energy: -101.507
Base-Backbone interact. energy: -0.152
local terms energy: -124.647570
where:
bonds (distance) C4'-P energy: -19.855
bonds (distance) P-C4' energy: -23.915
flat angles C4'-P-C4' energy: -29.042
flat angles P-C4'-P energy: -18.653
tors. eta vs tors. theta energy: -33.181
Dist. restrs. and SS energy: 0.334 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -386.783507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.783507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.914519 (E_RNA)
where:
Base-Base interactions energy: -269.587
where: short stacking energy: -114.642
Base-Backbone interact. energy: -0.337
local terms energy: -116.990912
where:
bonds (distance) C4'-P energy: -22.661
bonds (distance) P-C4' energy: -25.179
flat angles C4'-P-C4' energy: -24.720
flat angles P-C4'-P energy: -15.249
tors. eta vs tors. theta energy: -29.181
Dist. restrs. and SS energy: 0.131 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -394.994565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.994565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.424603 (E_RNA)
where:
Base-Base interactions energy: -266.859
where: short stacking energy: -111.661
Base-Backbone interact. energy: 0.498
local terms energy: -129.064112
where:
bonds (distance) C4'-P energy: -28.705
bonds (distance) P-C4' energy: -27.617
flat angles C4'-P-C4' energy: -27.272
flat angles P-C4'-P energy: -17.622
tors. eta vs tors. theta energy: -27.847
Dist. restrs. and SS energy: 0.430 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -368.828698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.828698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.115301 (E_RNA)
where:
Base-Base interactions energy: -245.813
where: short stacking energy: -93.623
Base-Backbone interact. energy: -0.284
local terms energy: -123.018155
where:
bonds (distance) C4'-P energy: -24.514
bonds (distance) P-C4' energy: -26.296
flat angles C4'-P-C4' energy: -28.259
flat angles P-C4'-P energy: -17.043
tors. eta vs tors. theta energy: -26.906
Dist. restrs. and SS energy: 0.287 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -357.112785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.112785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.222182 (E_RNA)
where:
Base-Base interactions energy: -247.374
where: short stacking energy: -104.360
Base-Backbone interact. energy: -0.508
local terms energy: -109.339428
where:
bonds (distance) C4'-P energy: -27.857
bonds (distance) P-C4' energy: -30.742
flat angles C4'-P-C4' energy: -23.728
flat angles P-C4'-P energy: -7.482
tors. eta vs tors. theta energy: -19.530
Dist. restrs. and SS energy: 0.109 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -338.873440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.873440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.188113 (E_RNA)
where:
Base-Base interactions energy: -230.079
where: short stacking energy: -98.428
Base-Backbone interact. energy: 0.023
local terms energy: -109.132176
where:
bonds (distance) C4'-P energy: -23.026
bonds (distance) P-C4' energy: -23.023
flat angles C4'-P-C4' energy: -25.401
flat angles P-C4'-P energy: -11.776
tors. eta vs tors. theta energy: -25.906
Dist. restrs. and SS energy: 0.315 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -325.982577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.982577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.314060 (E_RNA)
where:
Base-Base interactions energy: -214.748
where: short stacking energy: -85.280
Base-Backbone interact. energy: -1.488
local terms energy: -110.078655
where:
bonds (distance) C4'-P energy: -22.085
bonds (distance) P-C4' energy: -23.771
flat angles C4'-P-C4' energy: -26.149
flat angles P-C4'-P energy: -18.084
tors. eta vs tors. theta energy: -19.989
Dist. restrs. and SS energy: 0.331 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -320.514206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.514206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.340764 (E_RNA)
where:
Base-Base interactions energy: -232.140
where: short stacking energy: -87.920
Base-Backbone interact. energy: -1.315
local terms energy: -87.885574
where:
bonds (distance) C4'-P energy: -12.645
bonds (distance) P-C4' energy: -23.819
flat angles C4'-P-C4' energy: -27.608
flat angles P-C4'-P energy: -2.842
tors. eta vs tors. theta energy: -20.972
Dist. restrs. and SS energy: 0.827 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -417.826538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.826538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.968285 (E_RNA)
where:
Base-Base interactions energy: -275.258
where: short stacking energy: -123.806
Base-Backbone interact. energy: -2.094
local terms energy: -140.616974
where:
bonds (distance) C4'-P energy: -28.829
bonds (distance) P-C4' energy: -29.924
flat angles C4'-P-C4' energy: -28.462
flat angles P-C4'-P energy: -18.808
tors. eta vs tors. theta energy: -34.595
Dist. restrs. and SS energy: 0.142 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -427.859447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.859447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.048225 (E_RNA)
where:
Base-Base interactions energy: -294.786
where: short stacking energy: -118.264
Base-Backbone interact. energy: -0.528
local terms energy: -132.735072
where:
bonds (distance) C4'-P energy: -25.620
bonds (distance) P-C4' energy: -29.717
flat angles C4'-P-C4' energy: -28.267
flat angles P-C4'-P energy: -17.232
tors. eta vs tors. theta energy: -31.899
Dist. restrs. and SS energy: 0.189 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -394.968519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.968519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.351411 (E_RNA)
where:
Base-Base interactions energy: -265.643
where: short stacking energy: -102.532
Base-Backbone interact. energy: -0.418
local terms energy: -129.290229
where:
bonds (distance) C4'-P energy: -29.152
bonds (distance) P-C4' energy: -23.851
flat angles C4'-P-C4' energy: -28.552
flat angles P-C4'-P energy: -16.297
tors. eta vs tors. theta energy: -31.437
Dist. restrs. and SS energy: 0.383 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -407.693103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.693103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.789223 (E_RNA)
where:
Base-Base interactions energy: -276.561
where: short stacking energy: -114.636
Base-Backbone interact. energy: -1.732
local terms energy: -129.496648
where:
bonds (distance) C4'-P energy: -23.249
bonds (distance) P-C4' energy: -30.174
flat angles C4'-P-C4' energy: -28.353
flat angles P-C4'-P energy: -18.347
tors. eta vs tors. theta energy: -29.373
Dist. restrs. and SS energy: 0.096 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -374.780835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.780835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.003407 (E_RNA)
where:
Base-Base interactions energy: -244.472
where: short stacking energy: -103.710
Base-Backbone interact. energy: 0.390
local terms energy: -130.921242
where:
bonds (distance) C4'-P energy: -23.094
bonds (distance) P-C4' energy: -27.857
flat angles C4'-P-C4' energy: -30.451
flat angles P-C4'-P energy: -18.663
tors. eta vs tors. theta energy: -30.857
Dist. restrs. and SS energy: 0.223 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -373.038631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.038631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.274373 (E_RNA)
where:
Base-Base interactions energy: -255.660
where: short stacking energy: -88.346
Base-Backbone interact. energy: -0.353
local terms energy: -117.262240
where:
bonds (distance) C4'-P energy: -24.388
bonds (distance) P-C4' energy: -20.992
flat angles C4'-P-C4' energy: -30.492
flat angles P-C4'-P energy: -18.742
tors. eta vs tors. theta energy: -22.649
Dist. restrs. and SS energy: 0.236 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -350.075733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.075733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.147737 (E_RNA)
where:
Base-Base interactions energy: -246.312
where: short stacking energy: -90.825
Base-Backbone interact. energy: -0.552
local terms energy: -103.283889
where:
bonds (distance) C4'-P energy: -26.581
bonds (distance) P-C4' energy: -17.404
flat angles C4'-P-C4' energy: -24.985
flat angles P-C4'-P energy: -14.932
tors. eta vs tors. theta energy: -19.382
Dist. restrs. and SS energy: 0.072 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -332.228003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.228003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.916987 (E_RNA)
where:
Base-Base interactions energy: -227.266
where: short stacking energy: -85.304
Base-Backbone interact. energy: 0.050
local terms energy: -105.700512
where:
bonds (distance) C4'-P energy: -20.862
bonds (distance) P-C4' energy: -28.905
flat angles C4'-P-C4' energy: -23.665
flat angles P-C4'-P energy: -14.062
tors. eta vs tors. theta energy: -18.206
Dist. restrs. and SS energy: 0.689 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -308.030793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.030793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.486872 (E_RNA)
where:
Base-Base interactions energy: -222.358
where: short stacking energy: -85.953
Base-Backbone interact. energy: -0.139
local terms energy: -85.990563
where:
bonds (distance) C4'-P energy: -19.933
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -17.176
flat angles P-C4'-P energy: -14.596
tors. eta vs tors. theta energy: -16.554
Dist. restrs. and SS energy: 0.456 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -320.677947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.677947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.815678 (E_RNA)
where:
Base-Base interactions energy: -213.071
where: short stacking energy: -79.378
Base-Backbone interact. energy: 1.357
local terms energy: -109.102167
where:
bonds (distance) C4'-P energy: -25.600
bonds (distance) P-C4' energy: -21.300
flat angles C4'-P-C4' energy: -25.243
flat angles P-C4'-P energy: -12.261
tors. eta vs tors. theta energy: -24.699
Dist. restrs. and SS energy: 0.138 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -428.783857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.783857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.045109 (E_RNA)
where:
Base-Base interactions energy: -299.030
where: short stacking energy: -106.651
Base-Backbone interact. energy: -0.896
local terms energy: -129.119890
where:
bonds (distance) C4'-P energy: -24.246
bonds (distance) P-C4' energy: -27.056
flat angles C4'-P-C4' energy: -28.470
flat angles P-C4'-P energy: -19.405
tors. eta vs tors. theta energy: -29.944
Dist. restrs. and SS energy: 0.261 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -404.375309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.375309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.420763 (E_RNA)
where:
Base-Base interactions energy: -271.186
where: short stacking energy: -110.831
Base-Backbone interact. energy: -0.563
local terms energy: -132.672344
where:
bonds (distance) C4'-P energy: -27.364
bonds (distance) P-C4' energy: -28.319
flat angles C4'-P-C4' energy: -28.638
flat angles P-C4'-P energy: -18.156
tors. eta vs tors. theta energy: -30.196
Dist. restrs. and SS energy: 0.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -397.940461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.940461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.531281 (E_RNA)
where:
Base-Base interactions energy: -268.496
where: short stacking energy: -107.689
Base-Backbone interact. energy: -1.102
local terms energy: -128.933109
where:
bonds (distance) C4'-P energy: -25.060
bonds (distance) P-C4' energy: -28.121
flat angles C4'-P-C4' energy: -27.156
flat angles P-C4'-P energy: -17.790
tors. eta vs tors. theta energy: -30.806
Dist. restrs. and SS energy: 0.591 (S_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: 264
Temperature: 1.050000
Total energy: -401.699191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.699191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.941181 (E_RNA)
where:
Base-Base interactions energy: -279.248
where: short stacking energy: -111.092
Base-Backbone interact. energy: -0.540
local terms energy: -122.153080
where:
bonds (distance) C4'-P energy: -25.245
bonds (distance) P-C4' energy: -22.221
flat angles C4'-P-C4' energy: -28.558
flat angles P-C4'-P energy: -9.840
tors. eta vs tors. theta energy: -36.289
Dist. restrs. and SS energy: 0.242 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -375.275659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.275659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.569651 (E_RNA)
where:
Base-Base interactions energy: -255.290
where: short stacking energy: -107.990
Base-Backbone interact. energy: -1.523
local terms energy: -118.756224
where:
bonds (distance) C4'-P energy: -23.690
bonds (distance) P-C4' energy: -26.128
flat angles C4'-P-C4' energy: -27.136
flat angles P-C4'-P energy: -18.679
tors. eta vs tors. theta energy: -23.123
Dist. restrs. and SS energy: 0.294 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -373.707778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.707778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.876625 (E_RNA)
where:
Base-Base interactions energy: -263.148
where: short stacking energy: -107.452
Base-Backbone interact. energy: -0.827
local terms energy: -109.900932
where:
bonds (distance) C4'-P energy: -24.933
bonds (distance) P-C4' energy: -19.686
flat angles C4'-P-C4' energy: -22.166
flat angles P-C4'-P energy: -15.941
tors. eta vs tors. theta energy: -27.175
Dist. restrs. and SS energy: 0.169 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -369.489971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.489971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.953317 (E_RNA)
where:
Base-Base interactions energy: -257.495
where: short stacking energy: -105.988
Base-Backbone interact. energy: -0.497
local terms energy: -111.961692
where:
bonds (distance) C4'-P energy: -20.860
bonds (distance) P-C4' energy: -21.205
flat angles C4'-P-C4' energy: -20.895
flat angles P-C4'-P energy: -18.526
tors. eta vs tors. theta energy: -30.475
Dist. restrs. and SS energy: 0.463 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -344.551592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.551592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.690905 (E_RNA)
where:
Base-Base interactions energy: -228.504
where: short stacking energy: -94.064
Base-Backbone interact. energy: 1.038
local terms energy: -117.224413
where:
bonds (distance) C4'-P energy: -23.906
bonds (distance) P-C4' energy: -27.790
flat angles C4'-P-C4' energy: -22.535
flat angles P-C4'-P energy: -13.202
tors. eta vs tors. theta energy: -29.792
Dist. restrs. and SS energy: 0.139 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -319.831260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.831260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.919599 (E_RNA)
where:
Base-Base interactions energy: -219.606
where: short stacking energy: -76.882
Base-Backbone interact. energy: -0.221
local terms energy: -101.092534
where:
bonds (distance) C4'-P energy: -24.268
bonds (distance) P-C4' energy: -19.230
flat angles C4'-P-C4' energy: -22.137
flat angles P-C4'-P energy: -12.351
tors. eta vs tors. theta energy: -23.106
Dist. restrs. and SS energy: 1.088 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -327.323425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.323425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.848971 (E_RNA)
where:
Base-Base interactions energy: -214.769
where: short stacking energy: -82.817
Base-Backbone interact. energy: -1.102
local terms energy: -111.978355
where:
bonds (distance) C4'-P energy: -25.727
bonds (distance) P-C4' energy: -20.750
flat angles C4'-P-C4' energy: -25.870
flat angles P-C4'-P energy: -14.490
tors. eta vs tors. theta energy: -25.141
Dist. restrs. and SS energy: 0.526 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -433.244249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.244249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.495640 (E_RNA)
where:
Base-Base interactions energy: -297.020
where: short stacking energy: -115.707
Base-Backbone interact. energy: 0.363
local terms energy: -136.838666
where:
bonds (distance) C4'-P energy: -25.817
bonds (distance) P-C4' energy: -28.021
flat angles C4'-P-C4' energy: -31.906
flat angles P-C4'-P energy: -18.870
tors. eta vs tors. theta energy: -32.225
Dist. restrs. and SS energy: 0.251 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -411.770888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.770888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.935928 (E_RNA)
where:
Base-Base interactions energy: -287.944
where: short stacking energy: -111.661
Base-Backbone interact. energy: -1.417
local terms energy: -122.574818
where:
bonds (distance) C4'-P energy: -25.190
bonds (distance) P-C4' energy: -30.372
flat angles C4'-P-C4' energy: -26.117
flat angles P-C4'-P energy: -15.198
tors. eta vs tors. theta energy: -25.698
Dist. restrs. and SS energy: 0.165 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -413.337183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.337183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.403577 (E_RNA)
where:
Base-Base interactions energy: -272.149
where: short stacking energy: -116.784
Base-Backbone interact. energy: -0.645
local terms energy: -140.609877
where:
bonds (distance) C4'-P energy: -25.602
bonds (distance) P-C4' energy: -26.111
flat angles C4'-P-C4' energy: -31.991
flat angles P-C4'-P energy: -21.503
tors. eta vs tors. theta energy: -35.402
Dist. restrs. and SS energy: 0.066 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -391.708142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.708142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.850841 (E_RNA)
where:
Base-Base interactions energy: -267.626
where: short stacking energy: -104.767
Base-Backbone interact. energy: 1.409
local terms energy: -125.633815
where:
bonds (distance) C4'-P energy: -25.742
bonds (distance) P-C4' energy: -27.665
flat angles C4'-P-C4' energy: -26.621
flat angles P-C4'-P energy: -18.172
tors. eta vs tors. theta energy: -27.434
Dist. restrs. and SS energy: 0.143 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -386.077075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.077075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.293869 (E_RNA)
where:
Base-Base interactions energy: -275.345
where: short stacking energy: -110.539
Base-Backbone interact. energy: -0.809
local terms energy: -110.139559
where:
bonds (distance) C4'-P energy: -25.084
bonds (distance) P-C4' energy: -14.936
flat angles C4'-P-C4' energy: -25.337
flat angles P-C4'-P energy: -16.212
tors. eta vs tors. theta energy: -28.570
Dist. restrs. and SS energy: 0.217 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -380.814243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.814243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.499426 (E_RNA)
where:
Base-Base interactions energy: -250.308
where: short stacking energy: -105.824
Base-Backbone interact. energy: -1.371
local terms energy: -129.820975
where:
bonds (distance) C4'-P energy: -29.417
bonds (distance) P-C4' energy: -28.112
flat angles C4'-P-C4' energy: -27.492
flat angles P-C4'-P energy: -13.464
tors. eta vs tors. theta energy: -31.336
Dist. restrs. and SS energy: 0.685 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -377.016819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.016819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.718377 (E_RNA)
where:
Base-Base interactions energy: -254.848
where: short stacking energy: -104.721
Base-Backbone interact. energy: -0.438
local terms energy: -122.431715
where:
bonds (distance) C4'-P energy: -22.804
bonds (distance) P-C4' energy: -26.431
flat angles C4'-P-C4' energy: -26.884
flat angles P-C4'-P energy: -18.508
tors. eta vs tors. theta energy: -27.805
Dist. restrs. and SS energy: 0.702 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -333.477893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.477893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.797849 (E_RNA)
where:
Base-Base interactions energy: -225.754
where: short stacking energy: -86.369
Base-Backbone interact. energy: -0.799
local terms energy: -107.245275
where:
bonds (distance) C4'-P energy: -17.348
bonds (distance) P-C4' energy: -20.339
flat angles C4'-P-C4' energy: -29.983
flat angles P-C4'-P energy: -15.059
tors. eta vs tors. theta energy: -24.517
Dist. restrs. and SS energy: 0.320 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -328.324412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.324412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.711090 (E_RNA)
where:
Base-Base interactions energy: -225.933
where: short stacking energy: -86.331
Base-Backbone interact. energy: -0.277
local terms energy: -102.500854
where:
bonds (distance) C4'-P energy: -19.451
bonds (distance) P-C4' energy: -25.569
flat angles C4'-P-C4' energy: -23.386
flat angles P-C4'-P energy: -13.182
tors. eta vs tors. theta energy: -20.913
Dist. restrs. and SS energy: 0.387 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -342.647399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.647399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.087352 (E_RNA)
where:
Base-Base interactions energy: -238.448
where: short stacking energy: -99.733
Base-Backbone interact. energy: -0.253
local terms energy: -104.386644
where:
bonds (distance) C4'-P energy: -22.515
bonds (distance) P-C4' energy: -23.768
flat angles C4'-P-C4' energy: -20.035
flat angles P-C4'-P energy: -13.549
tors. eta vs tors. theta energy: -24.520
Dist. restrs. and SS energy: 0.440 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -422.073171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.073171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.544739 (E_RNA)
where:
Base-Base interactions energy: -294.894
where: short stacking energy: -117.653
Base-Backbone interact. energy: -1.221
local terms energy: -126.430037
where:
bonds (distance) C4'-P energy: -28.911
bonds (distance) P-C4' energy: -22.749
flat angles C4'-P-C4' energy: -32.591
flat angles P-C4'-P energy: -13.090
tors. eta vs tors. theta energy: -29.089
Dist. restrs. and SS energy: 0.472 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -431.270982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.270982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.607207 (E_RNA)
where:
Base-Base interactions energy: -292.692
where: short stacking energy: -101.923
Base-Backbone interact. energy: -0.702
local terms energy: -138.214115
where:
bonds (distance) C4'-P energy: -29.279
bonds (distance) P-C4' energy: -31.403
flat angles C4'-P-C4' energy: -24.174
flat angles P-C4'-P energy: -21.126
tors. eta vs tors. theta energy: -32.231
Dist. restrs. and SS energy: 0.336 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -405.873653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.873653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.581123 (E_RNA)
where:
Base-Base interactions energy: -273.556
where: short stacking energy: -111.401
Base-Backbone interact. energy: 2.239
local terms energy: -135.263489
where:
bonds (distance) C4'-P energy: -29.188
bonds (distance) P-C4' energy: -29.320
flat angles C4'-P-C4' energy: -25.643
flat angles P-C4'-P energy: -16.537
tors. eta vs tors. theta energy: -34.575
Dist. restrs. and SS energy: 0.707 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -391.693828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.693828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.993373 (E_RNA)
where:
Base-Base interactions energy: -255.707
where: short stacking energy: -106.108
Base-Backbone interact. energy: -1.127
local terms energy: -135.158713
where:
bonds (distance) C4'-P energy: -28.445
bonds (distance) P-C4' energy: -26.766
flat angles C4'-P-C4' energy: -26.139
flat angles P-C4'-P energy: -21.787
tors. eta vs tors. theta energy: -32.022
Dist. restrs. and SS energy: 0.300 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -399.570738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.570738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.615331 (E_RNA)
where:
Base-Base interactions energy: -277.161
where: short stacking energy: -104.581
Base-Backbone interact. energy: 0.574
local terms energy: -123.028770
where:
bonds (distance) C4'-P energy: -23.748
bonds (distance) P-C4' energy: -24.196
flat angles C4'-P-C4' energy: -31.155
flat angles P-C4'-P energy: -15.403
tors. eta vs tors. theta energy: -28.527
Dist. restrs. and SS energy: 0.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -367.807377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.807377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.942675 (E_RNA)
where:
Base-Base interactions energy: -252.642
where: short stacking energy: -101.530
Base-Backbone interact. energy: 0.927
local terms energy: -116.227745
where:
bonds (distance) C4'-P energy: -21.986
bonds (distance) P-C4' energy: -23.522
flat angles C4'-P-C4' energy: -25.340
flat angles P-C4'-P energy: -16.989
tors. eta vs tors. theta energy: -28.390
Dist. restrs. and SS energy: 0.135 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -350.676436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.676436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.964594 (E_RNA)
where:
Base-Base interactions energy: -233.683
where: short stacking energy: -85.817
Base-Backbone interact. energy: -0.461
local terms energy: -116.820629
where:
bonds (distance) C4'-P energy: -23.528
bonds (distance) P-C4' energy: -27.035
flat angles C4'-P-C4' energy: -28.978
flat angles P-C4'-P energy: -16.357
tors. eta vs tors. theta energy: -20.923
Dist. restrs. and SS energy: 0.288 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -348.980547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.980547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.629842 (E_RNA)
where:
Base-Base interactions energy: -232.076
where: short stacking energy: -97.502
Base-Backbone interact. energy: 0.525
local terms energy: -118.078836
where:
bonds (distance) C4'-P energy: -23.969
bonds (distance) P-C4' energy: -25.336
flat angles C4'-P-C4' energy: -25.866
flat angles P-C4'-P energy: -13.431
tors. eta vs tors. theta energy: -29.476
Dist. restrs. and SS energy: 0.649 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -331.955141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.955141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.325897 (E_RNA)
where:
Base-Base interactions energy: -238.095
where: short stacking energy: -88.649
Base-Backbone interact. energy: -0.333
local terms energy: -93.897772
where:
bonds (distance) C4'-P energy: -15.410
bonds (distance) P-C4' energy: -23.049
flat angles C4'-P-C4' energy: -17.832
flat angles P-C4'-P energy: -18.976
tors. eta vs tors. theta energy: -18.631
Dist. restrs. and SS energy: 0.371 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -313.967998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.967998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.109859 (E_RNA)
where:
Base-Base interactions energy: -207.022
where: short stacking energy: -76.340
Base-Backbone interact. energy: -0.498
local terms energy: -106.589858
where:
bonds (distance) C4'-P energy: -21.664
bonds (distance) P-C4' energy: -23.587
flat angles C4'-P-C4' energy: -25.620
flat angles P-C4'-P energy: -14.131
tors. eta vs tors. theta energy: -21.587
Dist. restrs. and SS energy: 0.142 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -412.430547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.430547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.569215 (E_RNA)
where:
Base-Base interactions energy: -280.608
where: short stacking energy: -102.513
Base-Backbone interact. energy: -1.128
local terms energy: -130.833503
where:
bonds (distance) C4'-P energy: -29.892
bonds (distance) P-C4' energy: -28.719
flat angles C4'-P-C4' energy: -30.635
flat angles P-C4'-P energy: -14.380
tors. eta vs tors. theta energy: -27.206
Dist. restrs. and SS energy: 0.139 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -434.282909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.282909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.978302 (E_RNA)
where:
Base-Base interactions energy: -302.423
where: short stacking energy: -113.631
Base-Backbone interact. energy: 1.806
local terms energy: -134.361242
where:
bonds (distance) C4'-P energy: -26.400
bonds (distance) P-C4' energy: -28.500
flat angles C4'-P-C4' energy: -29.642
flat angles P-C4'-P energy: -15.495
tors. eta vs tors. theta energy: -34.324
Dist. restrs. and SS energy: 0.695 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -398.778080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.778080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.814252 (E_RNA)
where:
Base-Base interactions energy: -270.991
where: short stacking energy: -111.000
Base-Backbone interact. energy: -0.057
local terms energy: -127.766054
where:
bonds (distance) C4'-P energy: -30.365
bonds (distance) P-C4' energy: -27.910
flat angles C4'-P-C4' energy: -25.601
flat angles P-C4'-P energy: -13.156
tors. eta vs tors. theta energy: -30.735
Dist. restrs. and SS energy: 0.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -390.084438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.084438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.131419 (E_RNA)
where:
Base-Base interactions energy: -276.143
where: short stacking energy: -108.858
Base-Backbone interact. energy: -0.493
local terms energy: -113.495488
where:
bonds (distance) C4'-P energy: -27.215
bonds (distance) P-C4' energy: -23.745
flat angles C4'-P-C4' energy: -23.821
flat angles P-C4'-P energy: -8.297
tors. eta vs tors. theta energy: -30.417
Dist. restrs. and SS energy: 0.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -377.821231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.821231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.209005 (E_RNA)
where:
Base-Base interactions energy: -246.187
where: short stacking energy: -104.665
Base-Backbone interact. energy: -0.404
local terms energy: -131.617588
where:
bonds (distance) C4'-P energy: -26.117
bonds (distance) P-C4' energy: -27.850
flat angles C4'-P-C4' energy: -28.598
flat angles P-C4'-P energy: -13.941
tors. eta vs tors. theta energy: -35.111
Dist. restrs. and SS energy: 0.388 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -374.587982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.587982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.616402 (E_RNA)
where:
Base-Base interactions energy: -253.690
where: short stacking energy: -96.155
Base-Backbone interact. energy: -0.448
local terms energy: -120.478551
where:
bonds (distance) C4'-P energy: -14.884
bonds (distance) P-C4' energy: -24.872
flat angles C4'-P-C4' energy: -31.046
flat angles P-C4'-P energy: -18.375
tors. eta vs tors. theta energy: -31.302
Dist. restrs. and SS energy: 0.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -337.681208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.681208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.176158 (E_RNA)
where:
Base-Base interactions energy: -218.176
where: short stacking energy: -85.492
Base-Backbone interact. energy: 1.708
local terms energy: -121.708479
where:
bonds (distance) C4'-P energy: -23.632
bonds (distance) P-C4' energy: -27.586
flat angles C4'-P-C4' energy: -24.075
flat angles P-C4'-P energy: -21.660
tors. eta vs tors. theta energy: -24.756
Dist. restrs. and SS energy: 0.495 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -344.760342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.760342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.130392 (E_RNA)
where:
Base-Base interactions energy: -231.788
where: short stacking energy: -93.512
Base-Backbone interact. energy: -0.177
local terms energy: -113.165279
where:
bonds (distance) C4'-P energy: -22.127
bonds (distance) P-C4' energy: -27.670
flat angles C4'-P-C4' energy: -25.099
flat angles P-C4'-P energy: -13.427
tors. eta vs tors. theta energy: -24.842
Dist. restrs. and SS energy: 0.370 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -331.689629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.689629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.095846 (E_RNA)
where:
Base-Base interactions energy: -233.415
where: short stacking energy: -84.063
Base-Backbone interact. energy: -0.086
local terms energy: -98.594410
where:
bonds (distance) C4'-P energy: -21.776
bonds (distance) P-C4' energy: -25.491
flat angles C4'-P-C4' energy: -22.097
flat angles P-C4'-P energy: -4.626
tors. eta vs tors. theta energy: -24.605
Dist. restrs. and SS energy: 0.406 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -317.671099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.671099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.072732 (E_RNA)
where:
Base-Base interactions energy: -215.098
where: short stacking energy: -82.835
Base-Backbone interact. energy: -1.601
local terms energy: -101.374152
where:
bonds (distance) C4'-P energy: -23.907
bonds (distance) P-C4' energy: -25.674
flat angles C4'-P-C4' energy: -17.774
flat angles P-C4'-P energy: -7.226
tors. eta vs tors. theta energy: -26.794
Dist. restrs. and SS energy: 0.402 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -444.912284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.912284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.045593 (E_RNA)
where:
Base-Base interactions energy: -303.998
where: short stacking energy: -113.705
Base-Backbone interact. energy: -0.537
local terms energy: -140.510721
where:
bonds (distance) C4'-P energy: -26.039
bonds (distance) P-C4' energy: -26.565
flat angles C4'-P-C4' energy: -33.914
flat angles P-C4'-P energy: -21.753
tors. eta vs tors. theta energy: -32.241
Dist. restrs. and SS energy: 0.133 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -407.949756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.949756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.003830 (E_RNA)
where:
Base-Base interactions energy: -283.303
where: short stacking energy: -113.738
Base-Backbone interact. energy: -0.599
local terms energy: -124.102063
where:
bonds (distance) C4'-P energy: -26.104
bonds (distance) P-C4' energy: -24.364
flat angles C4'-P-C4' energy: -29.682
flat angles P-C4'-P energy: -16.813
tors. eta vs tors. theta energy: -27.139
Dist. restrs. and SS energy: 0.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -387.744407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.744407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.898884 (E_RNA)
where:
Base-Base interactions energy: -266.981
where: short stacking energy: -105.045
Base-Backbone interact. energy: -0.820
local terms energy: -120.097854
where:
bonds (distance) C4'-P energy: -22.430
bonds (distance) P-C4' energy: -22.840
flat angles C4'-P-C4' energy: -29.634
flat angles P-C4'-P energy: -16.742
tors. eta vs tors. theta energy: -28.453
Dist. restrs. and SS energy: 0.154 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -379.826117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.826117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.959253 (E_RNA)
where:
Base-Base interactions energy: -246.074
where: short stacking energy: -103.005
Base-Backbone interact. energy: -0.795
local terms energy: -133.089634
where:
bonds (distance) C4'-P energy: -21.853
bonds (distance) P-C4' energy: -27.527
flat angles C4'-P-C4' energy: -26.904
flat angles P-C4'-P energy: -25.802
tors. eta vs tors. theta energy: -31.004
Dist. restrs. and SS energy: 0.133 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -385.522006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.522006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.721138 (E_RNA)
where:
Base-Base interactions energy: -256.188
where: short stacking energy: -109.310
Base-Backbone interact. energy: -0.390
local terms energy: -129.143264
where:
bonds (distance) C4'-P energy: -18.000
bonds (distance) P-C4' energy: -28.560
flat angles C4'-P-C4' energy: -31.630
flat angles P-C4'-P energy: -18.488
tors. eta vs tors. theta energy: -32.467
Dist. restrs. and SS energy: 0.199 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -356.074744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.074744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.249173 (E_RNA)
where:
Base-Base interactions energy: -237.051
where: short stacking energy: -93.441
Base-Backbone interact. energy: 1.586
local terms energy: -120.784865
where:
bonds (distance) C4'-P energy: -24.284
bonds (distance) P-C4' energy: -30.551
flat angles C4'-P-C4' energy: -23.149
flat angles P-C4'-P energy: -15.137
tors. eta vs tors. theta energy: -27.663
Dist. restrs. and SS energy: 0.174 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -345.405388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.405388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.622485 (E_RNA)
where:
Base-Base interactions energy: -230.246
where: short stacking energy: -95.262
Base-Backbone interact. energy: -0.592
local terms energy: -114.783726
where:
bonds (distance) C4'-P energy: -19.548
bonds (distance) P-C4' energy: -24.859
flat angles C4'-P-C4' energy: -30.322
flat angles P-C4'-P energy: -13.886
tors. eta vs tors. theta energy: -26.169
Dist. restrs. and SS energy: 0.217 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -369.554917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.554917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.781989 (E_RNA)
where:
Base-Base interactions energy: -250.734
where: short stacking energy: -97.538
Base-Backbone interact. energy: -1.364
local terms energy: -117.684067
where:
bonds (distance) C4'-P energy: -21.161
bonds (distance) P-C4' energy: -25.775
flat angles C4'-P-C4' energy: -27.293
flat angles P-C4'-P energy: -12.701
tors. eta vs tors. theta energy: -30.755
Dist. restrs. and SS energy: 0.227 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -320.814295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.814295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.101082 (E_RNA)
where:
Base-Base interactions energy: -220.322
where: short stacking energy: -82.115
Base-Backbone interact. energy: -0.272
local terms energy: -100.507504
where:
bonds (distance) C4'-P energy: -12.577
bonds (distance) P-C4' energy: -29.703
flat angles C4'-P-C4' energy: -27.281
flat angles P-C4'-P energy: -11.133
tors. eta vs tors. theta energy: -19.814
Dist. restrs. and SS energy: 0.287 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -299.261594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.261594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.559970 (E_RNA)
where:
Base-Base interactions energy: -198.844
where: short stacking energy: -73.635
Base-Backbone interact. energy: 0.593
local terms energy: -101.308598
where:
bonds (distance) C4'-P energy: -25.595
bonds (distance) P-C4' energy: -23.983
flat angles C4'-P-C4' energy: -17.501
flat angles P-C4'-P energy: -20.194
tors. eta vs tors. theta energy: -14.035
Dist. restrs. and SS energy: 0.298 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -445.724019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.724019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.921734 (E_RNA)
where:
Base-Base interactions energy: -311.378
where: short stacking energy: -120.006
Base-Backbone interact. energy: 1.143
local terms energy: -135.686787
where:
bonds (distance) C4'-P energy: -29.259
bonds (distance) P-C4' energy: -27.650
flat angles C4'-P-C4' energy: -25.892
flat angles P-C4'-P energy: -18.703
tors. eta vs tors. theta energy: -34.182
Dist. restrs. and SS energy: 0.198 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -394.343079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.343079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.379132 (E_RNA)
where:
Base-Base interactions energy: -268.357
where: short stacking energy: -111.802
Base-Backbone interact. energy: -0.282
local terms energy: -125.740181
where:
bonds (distance) C4'-P energy: -24.258
bonds (distance) P-C4' energy: -25.292
flat angles C4'-P-C4' energy: -28.221
flat angles P-C4'-P energy: -18.963
tors. eta vs tors. theta energy: -29.006
Dist. restrs. and SS energy: 0.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -376.856941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.856941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.026116 (E_RNA)
where:
Base-Base interactions energy: -257.267
where: short stacking energy: -90.799
Base-Backbone interact. energy: 1.611
local terms energy: -121.369935
where:
bonds (distance) C4'-P energy: -25.411
bonds (distance) P-C4' energy: -29.823
flat angles C4'-P-C4' energy: -28.552
flat angles P-C4'-P energy: -10.442
tors. eta vs tors. theta energy: -27.142
Dist. restrs. and SS energy: 0.169 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -397.159568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.159568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.490124 (E_RNA)
where:
Base-Base interactions energy: -267.649
where: short stacking energy: -119.050
Base-Backbone interact. energy: 0.824
local terms energy: -130.665744
where:
bonds (distance) C4'-P energy: -24.864
bonds (distance) P-C4' energy: -28.170
flat angles C4'-P-C4' energy: -29.688
flat angles P-C4'-P energy: -18.846
tors. eta vs tors. theta energy: -29.097
Dist. restrs. and SS energy: 0.331 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -376.664710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.664710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.024650 (E_RNA)
where:
Base-Base interactions energy: -258.071
where: short stacking energy: -97.540
Base-Backbone interact. energy: -0.813
local terms energy: -118.141399
where:
bonds (distance) C4'-P energy: -23.964
bonds (distance) P-C4' energy: -23.232
flat angles C4'-P-C4' energy: -27.223
flat angles P-C4'-P energy: -15.871
tors. eta vs tors. theta energy: -27.851
Dist. restrs. and SS energy: 0.360 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -359.252188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.252188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.640010 (E_RNA)
where:
Base-Base interactions energy: -232.222
where: short stacking energy: -92.744
Base-Backbone interact. energy: -0.300
local terms energy: -127.118128
where:
bonds (distance) C4'-P energy: -19.432
bonds (distance) P-C4' energy: -30.647
flat angles C4'-P-C4' energy: -30.185
flat angles P-C4'-P energy: -18.887
tors. eta vs tors. theta energy: -27.967
Dist. restrs. and SS energy: 0.388 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -354.868618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.868618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.934708 (E_RNA)
where:
Base-Base interactions energy: -247.569
where: short stacking energy: -107.242
Base-Backbone interact. energy: -0.029
local terms energy: -107.336896
where:
bonds (distance) C4'-P energy: -23.228
bonds (distance) P-C4' energy: -22.812
flat angles C4'-P-C4' energy: -25.848
flat angles P-C4'-P energy: -10.306
tors. eta vs tors. theta energy: -25.142
Dist. restrs. and SS energy: 0.066 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -354.966493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.966493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.381377 (E_RNA)
where:
Base-Base interactions energy: -238.109
where: short stacking energy: -91.822
Base-Backbone interact. energy: 1.646
local terms energy: -118.918988
where:
bonds (distance) C4'-P energy: -28.246
bonds (distance) P-C4' energy: -26.591
flat angles C4'-P-C4' energy: -22.539
flat angles P-C4'-P energy: -18.525
tors. eta vs tors. theta energy: -23.018
Dist. restrs. and SS energy: 0.415 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -311.051543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.051543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.320047 (E_RNA)
where:
Base-Base interactions energy: -220.706
where: short stacking energy: -81.347
Base-Backbone interact. energy: 2.557
local terms energy: -93.170277
where:
bonds (distance) C4'-P energy: -19.168
bonds (distance) P-C4' energy: -15.418
flat angles C4'-P-C4' energy: -15.782
flat angles P-C4'-P energy: -20.039
tors. eta vs tors. theta energy: -22.763
Dist. restrs. and SS energy: 0.269 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -329.664817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.664817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.938724 (E_RNA)
where:
Base-Base interactions energy: -219.931
where: short stacking energy: -84.838
Base-Backbone interact. energy: -0.090
local terms energy: -109.918002
where:
bonds (distance) C4'-P energy: -19.738
bonds (distance) P-C4' energy: -27.024
flat angles C4'-P-C4' energy: -25.246
flat angles P-C4'-P energy: -12.765
tors. eta vs tors. theta energy: -25.144
Dist. restrs. and SS energy: 0.274 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -439.973696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.973696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.180392 (E_RNA)
where:
Base-Base interactions energy: -298.297
where: short stacking energy: -113.340
Base-Backbone interact. energy: 0.229
local terms energy: -142.112397
where:
bonds (distance) C4'-P energy: -28.109
bonds (distance) P-C4' energy: -23.559
flat angles C4'-P-C4' energy: -30.501
flat angles P-C4'-P energy: -23.277
tors. eta vs tors. theta energy: -36.666
Dist. restrs. and SS energy: 0.207 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -405.289007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.289007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.362574 (E_RNA)
where:
Base-Base interactions energy: -274.415
where: short stacking energy: -97.061
Base-Backbone interact. energy: -0.922
local terms energy: -130.025612
where:
bonds (distance) C4'-P energy: -27.798
bonds (distance) P-C4' energy: -24.813
flat angles C4'-P-C4' energy: -26.389
flat angles P-C4'-P energy: -17.364
tors. eta vs tors. theta energy: -33.662
Dist. restrs. and SS energy: 0.074 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -403.828064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.828064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.984162 (E_RNA)
where:
Base-Base interactions energy: -269.620
where: short stacking energy: -105.656
Base-Backbone interact. energy: -0.234
local terms energy: -134.130316
where:
bonds (distance) C4'-P energy: -28.159
bonds (distance) P-C4' energy: -26.560
flat angles C4'-P-C4' energy: -25.852
flat angles P-C4'-P energy: -21.670
tors. eta vs tors. theta energy: -31.888
Dist. restrs. and SS energy: 0.156 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -379.751932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.751932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.535916 (E_RNA)
where:
Base-Base interactions energy: -268.190
where: short stacking energy: -105.345
Base-Backbone interact. energy: -0.260
local terms energy: -112.086099
where:
bonds (distance) C4'-P energy: -25.181
bonds (distance) P-C4' energy: -23.984
flat angles C4'-P-C4' energy: -25.850
flat angles P-C4'-P energy: -9.208
tors. eta vs tors. theta energy: -27.862
Dist. restrs. and SS energy: 0.784 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -367.629830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.629830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.708971 (E_RNA)
where:
Base-Base interactions energy: -244.463
where: short stacking energy: -100.180
Base-Backbone interact. energy: 1.879
local terms energy: -125.124996
where:
bonds (distance) C4'-P energy: -29.317
bonds (distance) P-C4' energy: -26.130
flat angles C4'-P-C4' energy: -24.325
flat angles P-C4'-P energy: -18.471
tors. eta vs tors. theta energy: -26.882
Dist. restrs. and SS energy: 0.079 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -361.845649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.845649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.082015 (E_RNA)
where:
Base-Base interactions energy: -233.189
where: short stacking energy: -93.215
Base-Backbone interact. energy: 1.157
local terms energy: -130.050092
where:
bonds (distance) C4'-P energy: -28.388
bonds (distance) P-C4' energy: -27.288
flat angles C4'-P-C4' energy: -28.146
flat angles P-C4'-P energy: -18.599
tors. eta vs tors. theta energy: -27.628
Dist. restrs. and SS energy: 0.236 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -358.732875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.732875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.817076 (E_RNA)
where:
Base-Base interactions energy: -232.508
where: short stacking energy: -100.037
Base-Backbone interact. energy: -1.173
local terms energy: -125.136209
where:
bonds (distance) C4'-P energy: -29.958
bonds (distance) P-C4' energy: -25.830
flat angles C4'-P-C4' energy: -26.918
flat angles P-C4'-P energy: -16.618
tors. eta vs tors. theta energy: -25.812
Dist. restrs. and SS energy: 0.084 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -355.511739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.511739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.118482 (E_RNA)
where:
Base-Base interactions energy: -240.837
where: short stacking energy: -88.050
Base-Backbone interact. energy: -0.304
local terms energy: -114.977730
where:
bonds (distance) C4'-P energy: -22.178
bonds (distance) P-C4' energy: -27.356
flat angles C4'-P-C4' energy: -16.116
flat angles P-C4'-P energy: -19.107
tors. eta vs tors. theta energy: -30.220
Dist. restrs. and SS energy: 0.607 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -336.913937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.913937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.355819 (E_RNA)
where:
Base-Base interactions energy: -225.205
where: short stacking energy: -89.263
Base-Backbone interact. energy: -2.036
local terms energy: -110.115224
where:
bonds (distance) C4'-P energy: -24.056
bonds (distance) P-C4' energy: -29.684
flat angles C4'-P-C4' energy: -21.228
flat angles P-C4'-P energy: -12.140
tors. eta vs tors. theta energy: -23.006
Dist. restrs. and SS energy: 0.442 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -309.562850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.562850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.200965 (E_RNA)
where:
Base-Base interactions energy: -210.339
where: short stacking energy: -86.798
Base-Backbone interact. energy: -0.876
local terms energy: -98.986349
where:
bonds (distance) C4'-P energy: -20.766
bonds (distance) P-C4' energy: -21.916
flat angles C4'-P-C4' energy: -25.914
flat angles P-C4'-P energy: -10.824
tors. eta vs tors. theta energy: -19.565
Dist. restrs. and SS energy: 0.638 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -445.031601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.031601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.312635 (E_RNA)
where:
Base-Base interactions energy: -310.820
where: short stacking energy: -111.879
Base-Backbone interact. energy: -0.096
local terms energy: -134.397425
where:
bonds (distance) C4'-P energy: -27.796
bonds (distance) P-C4' energy: -21.625
flat angles C4'-P-C4' energy: -32.397
flat angles P-C4'-P energy: -18.306
tors. eta vs tors. theta energy: -34.273
Dist. restrs. and SS energy: 0.281 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -397.740965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.740965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.083080 (E_RNA)
where:
Base-Base interactions energy: -282.983
where: short stacking energy: -113.829
Base-Backbone interact. energy: -0.236
local terms energy: -114.863409
where:
bonds (distance) C4'-P energy: -20.475
bonds (distance) P-C4' energy: -22.091
flat angles C4'-P-C4' energy: -31.649
flat angles P-C4'-P energy: -13.065
tors. eta vs tors. theta energy: -27.584
Dist. restrs. and SS energy: 0.342 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -404.701757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.701757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.104925 (E_RNA)
where:
Base-Base interactions energy: -281.823
where: short stacking energy: -121.259
Base-Backbone interact. energy: -0.670
local terms energy: -122.611830
where:
bonds (distance) C4'-P energy: -20.329
bonds (distance) P-C4' energy: -28.809
flat angles C4'-P-C4' energy: -28.508
flat angles P-C4'-P energy: -8.132
tors. eta vs tors. theta energy: -36.833
Dist. restrs. and SS energy: 0.403 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -377.869668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.869668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.992784 (E_RNA)
where:
Base-Base interactions energy: -262.894
where: short stacking energy: -104.857
Base-Backbone interact. energy: 2.392
local terms energy: -117.491090
where:
bonds (distance) C4'-P energy: -23.106
bonds (distance) P-C4' energy: -29.480
flat angles C4'-P-C4' energy: -18.132
flat angles P-C4'-P energy: -16.529
tors. eta vs tors. theta energy: -30.244
Dist. restrs. and SS energy: 0.123 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -386.737808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.737808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.016692 (E_RNA)
where:
Base-Base interactions energy: -272.141
where: short stacking energy: -104.456
Base-Backbone interact. energy: -0.137
local terms energy: -114.738178
where:
bonds (distance) C4'-P energy: -25.223
bonds (distance) P-C4' energy: -20.785
flat angles C4'-P-C4' energy: -24.783
flat angles P-C4'-P energy: -12.897
tors. eta vs tors. theta energy: -31.050
Dist. restrs. and SS energy: 0.279 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -350.719968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.719968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.931791 (E_RNA)
where:
Base-Base interactions energy: -242.808
where: short stacking energy: -94.716
Base-Backbone interact. energy: 0.474
local terms energy: -108.598035
where:
bonds (distance) C4'-P energy: -20.750
bonds (distance) P-C4' energy: -18.687
flat angles C4'-P-C4' energy: -22.450
flat angles P-C4'-P energy: -20.756
tors. eta vs tors. theta energy: -25.955
Dist. restrs. and SS energy: 0.212 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -358.348120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.348120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.712581 (E_RNA)
where:
Base-Base interactions energy: -244.073
where: short stacking energy: -94.243
Base-Backbone interact. energy: 0.154
local terms energy: -114.793864
where:
bonds (distance) C4'-P energy: -21.989
bonds (distance) P-C4' energy: -24.077
flat angles C4'-P-C4' energy: -27.199
flat angles P-C4'-P energy: -17.367
tors. eta vs tors. theta energy: -24.162
Dist. restrs. and SS energy: 0.364 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -352.173389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.173389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.449568 (E_RNA)
where:
Base-Base interactions energy: -239.643
where: short stacking energy: -93.067
Base-Backbone interact. energy: -0.292
local terms energy: -112.514669
where:
bonds (distance) C4'-P energy: -17.750
bonds (distance) P-C4' energy: -22.895
flat angles C4'-P-C4' energy: -27.892
flat angles P-C4'-P energy: -14.705
tors. eta vs tors. theta energy: -29.273
Dist. restrs. and SS energy: 0.276 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -342.532764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.532764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.733873 (E_RNA)
where:
Base-Base interactions energy: -223.683
where: short stacking energy: -85.303
Base-Backbone interact. energy: 1.171
local terms energy: -121.221486
where:
bonds (distance) C4'-P energy: -24.897
bonds (distance) P-C4' energy: -24.908
flat angles C4'-P-C4' energy: -30.115
flat angles P-C4'-P energy: -16.983
tors. eta vs tors. theta energy: -24.318
Dist. restrs. and SS energy: 1.201 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -324.153886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.153886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.417343 (E_RNA)
where:
Base-Base interactions energy: -210.033
where: short stacking energy: -86.221
Base-Backbone interact. energy: -0.120
local terms energy: -114.264154
where:
bonds (distance) C4'-P energy: -23.521
bonds (distance) P-C4' energy: -26.836
flat angles C4'-P-C4' energy: -23.053
flat angles P-C4'-P energy: -12.408
tors. eta vs tors. theta energy: -28.446
Dist. restrs. and SS energy: 0.263 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -443.034476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.034476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.130255 (E_RNA)
where:
Base-Base interactions energy: -306.442
where: short stacking energy: -119.707
Base-Backbone interact. energy: -1.336
local terms energy: -135.352517
where:
bonds (distance) C4'-P energy: -24.564
bonds (distance) P-C4' energy: -31.037
flat angles C4'-P-C4' energy: -27.220
flat angles P-C4'-P energy: -19.367
tors. eta vs tors. theta energy: -33.164
Dist. restrs. and SS energy: 0.096 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -401.180659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.180659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.554434 (E_RNA)
where:
Base-Base interactions energy: -267.729
where: short stacking energy: -109.677
Base-Backbone interact. energy: -2.127
local terms energy: -131.698510
where:
bonds (distance) C4'-P energy: -31.641
bonds (distance) P-C4' energy: -24.012
flat angles C4'-P-C4' energy: -26.779
flat angles P-C4'-P energy: -19.904
tors. eta vs tors. theta energy: -29.362
Dist. restrs. and SS energy: 0.374 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -401.758654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.758654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.936954 (E_RNA)
where:
Base-Base interactions energy: -265.002
where: short stacking energy: -109.308
Base-Backbone interact. energy: -1.188
local terms energy: -135.746722
where:
bonds (distance) C4'-P energy: -27.562
bonds (distance) P-C4' energy: -23.369
flat angles C4'-P-C4' energy: -27.350
flat angles P-C4'-P energy: -23.136
tors. eta vs tors. theta energy: -34.331
Dist. restrs. and SS energy: 0.178 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -382.236660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.236660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.346018 (E_RNA)
where:
Base-Base interactions energy: -252.031
where: short stacking energy: -100.345
Base-Backbone interact. energy: -0.248
local terms energy: -130.066781
where:
bonds (distance) C4'-P energy: -24.113
bonds (distance) P-C4' energy: -29.625
flat angles C4'-P-C4' energy: -27.911
flat angles P-C4'-P energy: -16.471
tors. eta vs tors. theta energy: -31.946
Dist. restrs. and SS energy: 0.109 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -382.867887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.867887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.020055 (E_RNA)
where:
Base-Base interactions energy: -253.315
where: short stacking energy: -108.248
Base-Backbone interact. energy: -0.336
local terms energy: -129.369411
where:
bonds (distance) C4'-P energy: -20.851
bonds (distance) P-C4' energy: -28.185
flat angles C4'-P-C4' energy: -28.458
flat angles P-C4'-P energy: -17.502
tors. eta vs tors. theta energy: -34.373
Dist. restrs. and SS energy: 0.152 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -364.910228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.910228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.193363 (E_RNA)
where:
Base-Base interactions energy: -236.809
where: short stacking energy: -93.706
Base-Backbone interact. energy: -1.004
local terms energy: -127.380427
where:
bonds (distance) C4'-P energy: -24.915
bonds (distance) P-C4' energy: -27.321
flat angles C4'-P-C4' energy: -27.177
flat angles P-C4'-P energy: -17.402
tors. eta vs tors. theta energy: -30.566
Dist. restrs. and SS energy: 0.283 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -366.362669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.362669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.861154 (E_RNA)
where:
Base-Base interactions energy: -256.870
where: short stacking energy: -104.108
Base-Backbone interact. energy: -0.235
local terms energy: -109.756650
where:
bonds (distance) C4'-P energy: -17.553
bonds (distance) P-C4' energy: -28.154
flat angles C4'-P-C4' energy: -26.002
flat angles P-C4'-P energy: -13.276
tors. eta vs tors. theta energy: -24.771
Dist. restrs. and SS energy: 0.498 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -328.018148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.018148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.233005 (E_RNA)
where:
Base-Base interactions energy: -227.747
where: short stacking energy: -89.436
Base-Backbone interact. energy: 0.409
local terms energy: -100.895049
where:
bonds (distance) C4'-P energy: -17.585
bonds (distance) P-C4' energy: -24.355
flat angles C4'-P-C4' energy: -31.215
flat angles P-C4'-P energy: -9.154
tors. eta vs tors. theta energy: -18.587
Dist. restrs. and SS energy: 0.215 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -360.851044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.851044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.973222 (E_RNA)
where:
Base-Base interactions energy: -246.590
where: short stacking energy: -100.299
Base-Backbone interact. energy: 0.480
local terms energy: -114.864057
where:
bonds (distance) C4'-P energy: -21.999
bonds (distance) P-C4' energy: -23.610
flat angles C4'-P-C4' energy: -22.868
flat angles P-C4'-P energy: -14.154
tors. eta vs tors. theta energy: -32.233
Dist. restrs. and SS energy: 0.122 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -307.838166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.838166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.693530 (E_RNA)
where:
Base-Base interactions energy: -200.012
where: short stacking energy: -78.181
Base-Backbone interact. energy: -0.121
local terms energy: -108.561041
where:
bonds (distance) C4'-P energy: -29.019
bonds (distance) P-C4' energy: -26.128
flat angles C4'-P-C4' energy: -21.196
flat angles P-C4'-P energy: -12.121
tors. eta vs tors. theta energy: -20.097
Dist. restrs. and SS energy: 0.855 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -436.840917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.840917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.112371 (E_RNA)
where:
Base-Base interactions energy: -303.319
where: short stacking energy: -119.405
Base-Backbone interact. energy: -0.179
local terms energy: -133.614720
where:
bonds (distance) C4'-P energy: -20.495
bonds (distance) P-C4' energy: -26.309
flat angles C4'-P-C4' energy: -31.094
flat angles P-C4'-P energy: -23.319
tors. eta vs tors. theta energy: -32.398
Dist. restrs. and SS energy: 0.271 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -406.940531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.940531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.032026 (E_RNA)
where:
Base-Base interactions energy: -270.673
where: short stacking energy: -102.977
Base-Backbone interact. energy: -0.241
local terms energy: -136.118169
where:
bonds (distance) C4'-P energy: -27.227
bonds (distance) P-C4' energy: -30.699
flat angles C4'-P-C4' energy: -32.583
flat angles P-C4'-P energy: -18.353
tors. eta vs tors. theta energy: -27.257
Dist. restrs. and SS energy: 0.091 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -393.337054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.337054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.774585 (E_RNA)
where:
Base-Base interactions energy: -260.252
where: short stacking energy: -105.234
Base-Backbone interact. energy: -0.174
local terms energy: -133.348382
where:
bonds (distance) C4'-P energy: -33.283
bonds (distance) P-C4' energy: -24.412
flat angles C4'-P-C4' energy: -28.491
flat angles P-C4'-P energy: -20.171
tors. eta vs tors. theta energy: -26.991
Dist. restrs. and SS energy: 0.438 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -372.861288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.861288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.227834 (E_RNA)
where:
Base-Base interactions energy: -242.860
where: short stacking energy: -102.645
Base-Backbone interact. energy: 0.422
local terms energy: -130.789528
where:
bonds (distance) C4'-P energy: -28.712
bonds (distance) P-C4' energy: -24.257
flat angles C4'-P-C4' energy: -28.017
flat angles P-C4'-P energy: -20.641
tors. eta vs tors. theta energy: -29.162
Dist. restrs. and SS energy: 0.367 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -383.865884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.865884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.084883 (E_RNA)
where:
Base-Base interactions energy: -268.407
where: short stacking energy: -104.987
Base-Backbone interact. energy: 0.051
local terms energy: -115.728653
where:
bonds (distance) C4'-P energy: -26.468
bonds (distance) P-C4' energy: -22.195
flat angles C4'-P-C4' energy: -26.008
flat angles P-C4'-P energy: -12.798
tors. eta vs tors. theta energy: -28.260
Dist. restrs. and SS energy: 0.219 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -360.620980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.620980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.771217 (E_RNA)
where:
Base-Base interactions energy: -235.569
where: short stacking energy: -94.088
Base-Backbone interact. energy: 2.196
local terms energy: -127.398545
where:
bonds (distance) C4'-P energy: -27.642
bonds (distance) P-C4' energy: -26.697
flat angles C4'-P-C4' energy: -26.962
flat angles P-C4'-P energy: -15.888
tors. eta vs tors. theta energy: -30.210
Dist. restrs. and SS energy: 0.150 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -357.139341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.139341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.362827 (E_RNA)
where:
Base-Base interactions energy: -235.591
where: short stacking energy: -92.782
Base-Backbone interact. energy: -0.986
local terms energy: -120.786510
where:
bonds (distance) C4'-P energy: -23.008
bonds (distance) P-C4' energy: -27.366
flat angles C4'-P-C4' energy: -24.477
flat angles P-C4'-P energy: -19.676
tors. eta vs tors. theta energy: -26.259
Dist. restrs. and SS energy: 0.223 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -360.407886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.407886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.663382 (E_RNA)
where:
Base-Base interactions energy: -243.378
where: short stacking energy: -103.055
Base-Backbone interact. energy: -0.831
local terms energy: -116.454401
where:
bonds (distance) C4'-P energy: -18.906
bonds (distance) P-C4' energy: -29.860
flat angles C4'-P-C4' energy: -26.735
flat angles P-C4'-P energy: -12.615
tors. eta vs tors. theta energy: -28.339
Dist. restrs. and SS energy: 0.255 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -337.955738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.955738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.651487 (E_RNA)
where:
Base-Base interactions energy: -215.411
where: short stacking energy: -77.901
Base-Backbone interact. energy: -0.049
local terms energy: -123.191178
where:
bonds (distance) C4'-P energy: -31.584
bonds (distance) P-C4' energy: -19.587
flat angles C4'-P-C4' energy: -27.423
flat angles P-C4'-P energy: -17.500
tors. eta vs tors. theta energy: -27.097
Dist. restrs. and SS energy: 0.696 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -320.180675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.180675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.961663 (E_RNA)
where:
Base-Base interactions energy: -205.539
where: short stacking energy: -79.278
Base-Backbone interact. energy: -0.809
local terms energy: -114.613916
where:
bonds (distance) C4'-P energy: -21.778
bonds (distance) P-C4' energy: -25.840
flat angles C4'-P-C4' energy: -20.248
flat angles P-C4'-P energy: -21.561
tors. eta vs tors. theta energy: -25.188
Dist. restrs. and SS energy: 0.781 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -442.602744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.602744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.860481 (E_RNA)
where:
Base-Base interactions energy: -310.976
where: short stacking energy: -124.326
Base-Backbone interact. energy: 0.071
local terms energy: -131.955824
where:
bonds (distance) C4'-P energy: -26.147
bonds (distance) P-C4' energy: -29.316
flat angles C4'-P-C4' energy: -28.203
flat angles P-C4'-P energy: -13.574
tors. eta vs tors. theta energy: -34.715
Dist. restrs. and SS energy: 0.258 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -405.896221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.896221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.099902 (E_RNA)
where:
Base-Base interactions energy: -266.355
where: short stacking energy: -110.308
Base-Backbone interact. energy: -0.239
local terms energy: -139.505623
where:
bonds (distance) C4'-P energy: -27.583
bonds (distance) P-C4' energy: -31.413
flat angles C4'-P-C4' energy: -31.826
flat angles P-C4'-P energy: -18.051
tors. eta vs tors. theta energy: -30.633
Dist. restrs. and SS energy: 0.204 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -410.451438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.451438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.616753 (E_RNA)
where:
Base-Base interactions energy: -283.473
where: short stacking energy: -117.239
Base-Backbone interact. energy: -0.586
local terms energy: -126.556863
where:
bonds (distance) C4'-P energy: -24.023
bonds (distance) P-C4' energy: -25.438
flat angles C4'-P-C4' energy: -27.930
flat angles P-C4'-P energy: -15.910
tors. eta vs tors. theta energy: -33.257
Dist. restrs. and SS energy: 0.165 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -378.548032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.548032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.768695 (E_RNA)
where:
Base-Base interactions energy: -264.005
where: short stacking energy: -105.376
Base-Backbone interact. energy: -0.500
local terms energy: -114.263678
where:
bonds (distance) C4'-P energy: -24.985
bonds (distance) P-C4' energy: -24.192
flat angles C4'-P-C4' energy: -25.253
flat angles P-C4'-P energy: -15.818
tors. eta vs tors. theta energy: -24.015
Dist. restrs. and SS energy: 0.221 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -382.215277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.215277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.349838 (E_RNA)
where:
Base-Base interactions energy: -256.100
where: short stacking energy: -97.934
Base-Backbone interact. energy: -0.713
local terms energy: -125.536811
where:
bonds (distance) C4'-P energy: -27.963
bonds (distance) P-C4' energy: -30.440
flat angles C4'-P-C4' energy: -21.336
flat angles P-C4'-P energy: -15.263
tors. eta vs tors. theta energy: -30.536
Dist. restrs. and SS energy: 0.135 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -359.523775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.523775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.727268 (E_RNA)
where:
Base-Base interactions energy: -235.168
where: short stacking energy: -97.124
Base-Backbone interact. energy: -0.254
local terms energy: -124.304613
where:
bonds (distance) C4'-P energy: -25.445
bonds (distance) P-C4' energy: -24.712
flat angles C4'-P-C4' energy: -27.776
flat angles P-C4'-P energy: -16.171
tors. eta vs tors. theta energy: -30.200
Dist. restrs. and SS energy: 0.203 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -374.010176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.010176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.159562 (E_RNA)
where:
Base-Base interactions energy: -263.900
where: short stacking energy: -108.307
Base-Backbone interact. energy: -0.439
local terms energy: -109.820491
where:
bonds (distance) C4'-P energy: -16.914
bonds (distance) P-C4' energy: -25.814
flat angles C4'-P-C4' energy: -22.799
flat angles P-C4'-P energy: -12.508
tors. eta vs tors. theta energy: -31.785
Dist. restrs. and SS energy: 0.149 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -340.000158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.000158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.124698 (E_RNA)
where:
Base-Base interactions energy: -235.627
where: short stacking energy: -93.775
Base-Backbone interact. energy: -1.125
local terms energy: -103.372945
where:
bonds (distance) C4'-P energy: -17.546
bonds (distance) P-C4' energy: -27.265
flat angles C4'-P-C4' energy: -18.395
flat angles P-C4'-P energy: -13.142
tors. eta vs tors. theta energy: -27.024
Dist. restrs. and SS energy: 0.125 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -329.424701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.424701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.581293 (E_RNA)
where:
Base-Base interactions energy: -216.861
where: short stacking energy: -92.173
Base-Backbone interact. energy: 2.402
local terms energy: -115.121996
where:
bonds (distance) C4'-P energy: -19.738
bonds (distance) P-C4' energy: -26.800
flat angles C4'-P-C4' energy: -26.769
flat angles P-C4'-P energy: -16.712
tors. eta vs tors. theta energy: -25.103
Dist. restrs. and SS energy: 0.157 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -240.403856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.403856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.882978 (E_RNA)
where:
Base-Base interactions energy: -163.081
where: short stacking energy: -69.840
Base-Backbone interact. energy: -0.043
local terms energy: -86.759207
where:
bonds (distance) C4'-P energy: -19.739
bonds (distance) P-C4' energy: -24.305
flat angles C4'-P-C4' energy: -18.874
flat angles P-C4'-P energy: -10.980
tors. eta vs tors. theta energy: -12.861
Dist. restrs. and SS energy: 9.479 (S_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: 275
Temperature: 0.900000
Total energy: -444.093646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.093646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.247165 (E_RNA)
where:
Base-Base interactions energy: -308.830
where: short stacking energy: -123.441
Base-Backbone interact. energy: -0.449
local terms energy: -134.968496
where:
bonds (distance) C4'-P energy: -27.893
bonds (distance) P-C4' energy: -29.588
flat angles C4'-P-C4' energy: -25.068
flat angles P-C4'-P energy: -19.395
tors. eta vs tors. theta energy: -33.024
Dist. restrs. and SS energy: 0.154 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -415.970086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.970086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.160158 (E_RNA)
where:
Base-Base interactions energy: -281.622
where: short stacking energy: -122.441
Base-Backbone interact. energy: -0.576
local terms energy: -133.961916
where:
bonds (distance) C4'-P energy: -26.727
bonds (distance) P-C4' energy: -28.417
flat angles C4'-P-C4' energy: -26.831
flat angles P-C4'-P energy: -22.253
tors. eta vs tors. theta energy: -29.733
Dist. restrs. and SS energy: 0.190 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -397.950590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.950590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.091369 (E_RNA)
where:
Base-Base interactions energy: -269.918
where: short stacking energy: -115.961
Base-Backbone interact. energy: -0.487
local terms energy: -127.686137
where:
bonds (distance) C4'-P energy: -22.540
bonds (distance) P-C4' energy: -29.521
flat angles C4'-P-C4' energy: -28.062
flat angles P-C4'-P energy: -12.461
tors. eta vs tors. theta energy: -35.102
Dist. restrs. and SS energy: 0.141 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -391.123468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.123468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.725502 (E_RNA)
where:
Base-Base interactions energy: -254.826
where: short stacking energy: -107.241
Base-Backbone interact. energy: -0.165
local terms energy: -136.734495
where:
bonds (distance) C4'-P energy: -26.247
bonds (distance) P-C4' energy: -28.271
flat angles C4'-P-C4' energy: -33.033
flat angles P-C4'-P energy: -19.478
tors. eta vs tors. theta energy: -29.705
Dist. restrs. and SS energy: 0.602 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -390.222703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.222703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.862707 (E_RNA)
where:
Base-Base interactions energy: -260.033
where: short stacking energy: -108.692
Base-Backbone interact. energy: -0.415
local terms energy: -130.414813
where:
bonds (distance) C4'-P energy: -28.324
bonds (distance) P-C4' energy: -27.133
flat angles C4'-P-C4' energy: -31.281
flat angles P-C4'-P energy: -13.802
tors. eta vs tors. theta energy: -29.875
Dist. restrs. and SS energy: 0.640 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -377.221956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.221956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.301215 (E_RNA)
where:
Base-Base interactions energy: -246.427
where: short stacking energy: -97.311
Base-Backbone interact. energy: 0.497
local terms energy: -131.370547
where:
bonds (distance) C4'-P energy: -28.398
bonds (distance) P-C4' energy: -25.242
flat angles C4'-P-C4' energy: -27.569
flat angles P-C4'-P energy: -18.189
tors. eta vs tors. theta energy: -31.972
Dist. restrs. and SS energy: 0.079 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -348.357520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.357520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.011426 (E_RNA)
where:
Base-Base interactions energy: -229.991
where: short stacking energy: -101.214
Base-Backbone interact. energy: -1.183
local terms energy: -117.836770
where:
bonds (distance) C4'-P energy: -28.366
bonds (distance) P-C4' energy: -21.097
flat angles C4'-P-C4' energy: -31.375
flat angles P-C4'-P energy: -11.270
tors. eta vs tors. theta energy: -25.729
Dist. restrs. and SS energy: 0.654 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -335.887830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.887830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.001772 (E_RNA)
where:
Base-Base interactions energy: -235.421
where: short stacking energy: -87.422
Base-Backbone interact. energy: 0.907
local terms energy: -101.487747
where:
bonds (distance) C4'-P energy: -23.967
bonds (distance) P-C4' energy: -26.583
flat angles C4'-P-C4' energy: -15.605
flat angles P-C4'-P energy: -9.092
tors. eta vs tors. theta energy: -26.242
Dist. restrs. and SS energy: 0.114 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -310.512754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.512754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.747246 (E_RNA)
where:
Base-Base interactions energy: -213.894
where: short stacking energy: -77.366
Base-Backbone interact. energy: -0.956
local terms energy: -95.896997
where:
bonds (distance) C4'-P energy: -22.569
bonds (distance) P-C4' energy: -24.792
flat angles C4'-P-C4' energy: -28.684
flat angles P-C4'-P energy: -8.221
tors. eta vs tors. theta energy: -11.631
Dist. restrs. and SS energy: 0.234 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -276.830732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.830732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.166202 (E_RNA)
where:
Base-Base interactions energy: -183.608
where: short stacking energy: -82.618
Base-Backbone interact. energy: -0.302
local terms energy: -102.255794
where:
bonds (distance) C4'-P energy: -19.736
bonds (distance) P-C4' energy: -24.410
flat angles C4'-P-C4' energy: -24.015
flat angles P-C4'-P energy: -8.399
tors. eta vs tors. theta energy: -25.695
Dist. restrs. and SS energy: 9.335 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -430.976151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.976151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.114126 (E_RNA)
where:
Base-Base interactions energy: -302.451
where: short stacking energy: -116.724
Base-Backbone interact. energy: -0.870
local terms energy: -127.793935
where:
bonds (distance) C4'-P energy: -18.590
bonds (distance) P-C4' energy: -27.436
flat angles C4'-P-C4' energy: -29.830
flat angles P-C4'-P energy: -22.744
tors. eta vs tors. theta energy: -29.193
Dist. restrs. and SS energy: 0.138 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -406.125828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.125828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.510382 (E_RNA)
where:
Base-Base interactions energy: -276.585
where: short stacking energy: -113.392
Base-Backbone interact. energy: -0.216
local terms energy: -129.708939
where:
bonds (distance) C4'-P energy: -25.048
bonds (distance) P-C4' energy: -25.058
flat angles C4'-P-C4' energy: -30.639
flat angles P-C4'-P energy: -12.156
tors. eta vs tors. theta energy: -36.808
Dist. restrs. and SS energy: 0.385 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -396.453318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.453318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.730842 (E_RNA)
where:
Base-Base interactions energy: -266.059
where: short stacking energy: -116.032
Base-Backbone interact. energy: -0.267
local terms energy: -130.405638
where:
bonds (distance) C4'-P energy: -24.041
bonds (distance) P-C4' energy: -26.373
flat angles C4'-P-C4' energy: -29.039
flat angles P-C4'-P energy: -18.850
tors. eta vs tors. theta energy: -32.103
Dist. restrs. and SS energy: 0.278 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -381.728477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.728477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.070152 (E_RNA)
where:
Base-Base interactions energy: -256.865
where: short stacking energy: -104.661
Base-Backbone interact. energy: -0.832
local terms energy: -124.373303
where:
bonds (distance) C4'-P energy: -27.769
bonds (distance) P-C4' energy: -25.241
flat angles C4'-P-C4' energy: -26.210
flat angles P-C4'-P energy: -15.126
tors. eta vs tors. theta energy: -30.027
Dist. restrs. and SS energy: 0.342 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -373.032218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.032218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.647319 (E_RNA)
where:
Base-Base interactions energy: -248.942
where: short stacking energy: -104.390
Base-Backbone interact. energy: 2.342
local terms energy: -127.046706
where:
bonds (distance) C4'-P energy: -22.317
bonds (distance) P-C4' energy: -25.333
flat angles C4'-P-C4' energy: -30.401
flat angles P-C4'-P energy: -21.489
tors. eta vs tors. theta energy: -27.506
Dist. restrs. and SS energy: 0.615 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -378.839138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.839138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.083307 (E_RNA)
where:
Base-Base interactions energy: -256.975
where: short stacking energy: -93.734
Base-Backbone interact. energy: -0.304
local terms energy: -121.804416
where:
bonds (distance) C4'-P energy: -24.957
bonds (distance) P-C4' energy: -27.747
flat angles C4'-P-C4' energy: -21.271
flat angles P-C4'-P energy: -22.115
tors. eta vs tors. theta energy: -25.715
Dist. restrs. and SS energy: 0.244 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -355.471317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.471317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.687532 (E_RNA)
where:
Base-Base interactions energy: -241.406
where: short stacking energy: -92.340
Base-Backbone interact. energy: 1.399
local terms energy: -115.680471
where:
bonds (distance) C4'-P energy: -21.191
bonds (distance) P-C4' energy: -24.943
flat angles C4'-P-C4' energy: -22.041
flat angles P-C4'-P energy: -23.745
tors. eta vs tors. theta energy: -23.760
Dist. restrs. and SS energy: 0.216 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -349.187898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.187898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.417765 (E_RNA)
where:
Base-Base interactions energy: -238.956
where: short stacking energy: -98.176
Base-Backbone interact. energy: -0.383
local terms energy: -110.078675
where:
bonds (distance) C4'-P energy: -19.887
bonds (distance) P-C4' energy: -22.407
flat angles C4'-P-C4' energy: -29.981
flat angles P-C4'-P energy: -13.323
tors. eta vs tors. theta energy: -24.480
Dist. restrs. and SS energy: 0.230 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -311.194369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.194369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.564157 (E_RNA)
where:
Base-Base interactions energy: -204.047
where: short stacking energy: -77.278
Base-Backbone interact. energy: -0.267
local terms energy: -107.250576
where:
bonds (distance) C4'-P energy: -21.987
bonds (distance) P-C4' energy: -21.636
flat angles C4'-P-C4' energy: -24.873
flat angles P-C4'-P energy: -15.363
tors. eta vs tors. theta energy: -23.392
Dist. restrs. and SS energy: 0.370 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -285.099577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.099577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.456988 (E_RNA)
where:
Base-Base interactions energy: -208.476
where: short stacking energy: -81.873
Base-Backbone interact. energy: -0.591
local terms energy: -76.389264
where:
bonds (distance) C4'-P energy: -16.175
bonds (distance) P-C4' energy: -14.123
flat angles C4'-P-C4' energy: -13.812
flat angles P-C4'-P energy: -13.774
tors. eta vs tors. theta energy: -18.505
Dist. restrs. and SS energy: 0.357 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -433.909498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.909498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.238062 (E_RNA)
where:
Base-Base interactions energy: -299.068
where: short stacking energy: -115.451
Base-Backbone interact. energy: -0.773
local terms energy: -134.396847
where:
bonds (distance) C4'-P energy: -24.312
bonds (distance) P-C4' energy: -28.960
flat angles C4'-P-C4' energy: -28.119
flat angles P-C4'-P energy: -21.658
tors. eta vs tors. theta energy: -31.348
Dist. restrs. and SS energy: 0.329 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -397.934562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.934562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.218298 (E_RNA)
where:
Base-Base interactions energy: -261.007
where: short stacking energy: -115.221
Base-Backbone interact. energy: -0.824
local terms energy: -136.387597
where:
bonds (distance) C4'-P energy: -28.953
bonds (distance) P-C4' energy: -30.374
flat angles C4'-P-C4' energy: -26.306
flat angles P-C4'-P energy: -11.627
tors. eta vs tors. theta energy: -39.128
Dist. restrs. and SS energy: 0.284 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -390.904954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.904954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.959661 (E_RNA)
where:
Base-Base interactions energy: -267.692
where: short stacking energy: -102.054
Base-Backbone interact. energy: -1.372
local terms energy: -121.895464
where:
bonds (distance) C4'-P energy: -27.517
bonds (distance) P-C4' energy: -23.922
flat angles C4'-P-C4' energy: -26.250
flat angles P-C4'-P energy: -19.459
tors. eta vs tors. theta energy: -24.748
Dist. restrs. and SS energy: 0.055 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -374.321226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.321226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.441542 (E_RNA)
where:
Base-Base interactions energy: -239.643
where: short stacking energy: -99.005
Base-Backbone interact. energy: -1.839
local terms energy: -132.959542
where:
bonds (distance) C4'-P energy: -24.102
bonds (distance) P-C4' energy: -27.917
flat angles C4'-P-C4' energy: -30.683
flat angles P-C4'-P energy: -20.513
tors. eta vs tors. theta energy: -29.745
Dist. restrs. and SS energy: 0.120 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -386.452688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.452688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.943755 (E_RNA)
where:
Base-Base interactions energy: -272.139
where: short stacking energy: -108.855
Base-Backbone interact. energy: 0.599
local terms energy: -115.402903
where:
bonds (distance) C4'-P energy: -25.728
bonds (distance) P-C4' energy: -25.896
flat angles C4'-P-C4' energy: -22.541
flat angles P-C4'-P energy: -17.200
tors. eta vs tors. theta energy: -24.038
Dist. restrs. and SS energy: 0.491 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -367.198814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.198814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.505137 (E_RNA)
where:
Base-Base interactions energy: -247.774
where: short stacking energy: -110.855
Base-Backbone interact. energy: -1.130
local terms energy: -118.601222
where:
bonds (distance) C4'-P energy: -21.311
bonds (distance) P-C4' energy: -26.180
flat angles C4'-P-C4' energy: -27.842
flat angles P-C4'-P energy: -14.719
tors. eta vs tors. theta energy: -28.548
Dist. restrs. and SS energy: 0.306 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -379.514200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.514200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.588509 (E_RNA)
where:
Base-Base interactions energy: -256.171
where: short stacking energy: -102.602
Base-Backbone interact. energy: -0.847
local terms energy: -122.570316
where:
bonds (distance) C4'-P energy: -27.382
bonds (distance) P-C4' energy: -24.764
flat angles C4'-P-C4' energy: -28.820
flat angles P-C4'-P energy: -16.898
tors. eta vs tors. theta energy: -24.706
Dist. restrs. and SS energy: 0.074 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -326.114160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.114160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.544365 (E_RNA)
where:
Base-Base interactions energy: -217.077
where: short stacking energy: -73.915
Base-Backbone interact. energy: -0.831
local terms energy: -108.636185
where:
bonds (distance) C4'-P energy: -22.849
bonds (distance) P-C4' energy: -27.105
flat angles C4'-P-C4' energy: -26.955
flat angles P-C4'-P energy: -14.725
tors. eta vs tors. theta energy: -17.002
Dist. restrs. and SS energy: 0.430 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -337.697102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.697102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.826548 (E_RNA)
where:
Base-Base interactions energy: -218.569
where: short stacking energy: -91.282
Base-Backbone interact. energy: 1.220
local terms energy: -120.477958
where:
bonds (distance) C4'-P energy: -25.623
bonds (distance) P-C4' energy: -29.562
flat angles C4'-P-C4' energy: -26.837
flat angles P-C4'-P energy: -14.565
tors. eta vs tors. theta energy: -23.890
Dist. restrs. and SS energy: 0.129 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -302.957556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.957556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.169369 (E_RNA)
where:
Base-Base interactions energy: -197.858
where: short stacking energy: -69.380
Base-Backbone interact. energy: -0.342
local terms energy: -104.968852
where:
bonds (distance) C4'-P energy: -16.179
bonds (distance) P-C4' energy: -26.843
flat angles C4'-P-C4' energy: -27.201
flat angles P-C4'-P energy: -15.999
tors. eta vs tors. theta energy: -18.747
Dist. restrs. and SS energy: 0.212 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -437.148019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.148019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.272115 (E_RNA)
where:
Base-Base interactions energy: -310.885
where: short stacking energy: -118.122
Base-Backbone interact. energy: 0.324
local terms energy: -126.710906
where:
bonds (distance) C4'-P energy: -26.046
bonds (distance) P-C4' energy: -25.473
flat angles C4'-P-C4' energy: -27.210
flat angles P-C4'-P energy: -11.948
tors. eta vs tors. theta energy: -36.033
Dist. restrs. and SS energy: 0.124 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -416.879524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.879524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.268775 (E_RNA)
where:
Base-Base interactions energy: -280.139
where: short stacking energy: -115.074
Base-Backbone interact. energy: -0.122
local terms energy: -137.007678
where:
bonds (distance) C4'-P energy: -26.035
bonds (distance) P-C4' energy: -28.978
flat angles C4'-P-C4' energy: -29.573
flat angles P-C4'-P energy: -16.165
tors. eta vs tors. theta energy: -36.257
Dist. restrs. and SS energy: 0.389 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -388.393901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.393901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.594265 (E_RNA)
where:
Base-Base interactions energy: -262.396
where: short stacking energy: -107.659
Base-Backbone interact. energy: -0.094
local terms energy: -126.104451
where:
bonds (distance) C4'-P energy: -25.427
bonds (distance) P-C4' energy: -26.504
flat angles C4'-P-C4' energy: -22.316
flat angles P-C4'-P energy: -16.280
tors. eta vs tors. theta energy: -35.577
Dist. restrs. and SS energy: 0.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -378.901650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.901650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.229091 (E_RNA)
where:
Base-Base interactions energy: -256.328
where: short stacking energy: -104.114
Base-Backbone interact. energy: -0.469
local terms energy: -122.432523
where:
bonds (distance) C4'-P energy: -26.493
bonds (distance) P-C4' energy: -26.049
flat angles C4'-P-C4' energy: -26.866
flat angles P-C4'-P energy: -14.287
tors. eta vs tors. theta energy: -28.737
Dist. restrs. and SS energy: 0.327 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -393.142390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.142390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.410712 (E_RNA)
where:
Base-Base interactions energy: -274.655
where: short stacking energy: -106.744
Base-Backbone interact. energy: 0.848
local terms energy: -119.604033
where:
bonds (distance) C4'-P energy: -24.097
bonds (distance) P-C4' energy: -28.847
flat angles C4'-P-C4' energy: -24.708
flat angles P-C4'-P energy: -9.989
tors. eta vs tors. theta energy: -31.962
Dist. restrs. and SS energy: 0.268 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -373.683287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.683287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.293932 (E_RNA)
where:
Base-Base interactions energy: -252.407
where: short stacking energy: -105.629
Base-Backbone interact. energy: -0.512
local terms energy: -121.374810
where:
bonds (distance) C4'-P energy: -24.166
bonds (distance) P-C4' energy: -24.700
flat angles C4'-P-C4' energy: -24.948
flat angles P-C4'-P energy: -14.209
tors. eta vs tors. theta energy: -33.353
Dist. restrs. and SS energy: 0.611 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -357.071782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.071782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.838135 (E_RNA)
where:
Base-Base interactions energy: -242.656
where: short stacking energy: -89.967
Base-Backbone interact. energy: -0.279
local terms energy: -114.903149
where:
bonds (distance) C4'-P energy: -20.349
bonds (distance) P-C4' energy: -25.586
flat angles C4'-P-C4' energy: -26.627
flat angles P-C4'-P energy: -17.010
tors. eta vs tors. theta energy: -25.331
Dist. restrs. and SS energy: 0.766 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -347.073688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.073688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.456878 (E_RNA)
where:
Base-Base interactions energy: -234.262
where: short stacking energy: -98.043
Base-Backbone interact. energy: -0.130
local terms energy: -113.064683
where:
bonds (distance) C4'-P energy: -22.807
bonds (distance) P-C4' energy: -20.107
flat angles C4'-P-C4' energy: -22.437
flat angles P-C4'-P energy: -20.032
tors. eta vs tors. theta energy: -27.681
Dist. restrs. and SS energy: 0.383 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -337.561114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.561114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.893704 (E_RNA)
where:
Base-Base interactions energy: -219.322
where: short stacking energy: -82.427
Base-Backbone interact. energy: -0.482
local terms energy: -118.089956
where:
bonds (distance) C4'-P energy: -28.336
bonds (distance) P-C4' energy: -22.831
flat angles C4'-P-C4' energy: -24.118
flat angles P-C4'-P energy: -15.901
tors. eta vs tors. theta energy: -26.904
Dist. restrs. and SS energy: 0.333 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -302.065251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.065251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.315371 (E_RNA)
where:
Base-Base interactions energy: -208.389
where: short stacking energy: -81.891
Base-Backbone interact. energy: 1.017
local terms energy: -94.943042
where:
bonds (distance) C4'-P energy: -24.550
bonds (distance) P-C4' energy: -17.579
flat angles C4'-P-C4' energy: -16.338
flat angles P-C4'-P energy: -15.847
tors. eta vs tors. theta energy: -20.630
Dist. restrs. and SS energy: 0.250 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -432.592203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.592203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.040290 (E_RNA)
where:
Base-Base interactions energy: -299.286
where: short stacking energy: -121.194
Base-Backbone interact. energy: 0.036
local terms energy: -133.790471
where:
bonds (distance) C4'-P energy: -28.708
bonds (distance) P-C4' energy: -26.738
flat angles C4'-P-C4' energy: -27.352
flat angles P-C4'-P energy: -14.582
tors. eta vs tors. theta energy: -36.410
Dist. restrs. and SS energy: 0.448 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -412.483848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.483848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.115796 (E_RNA)
where:
Base-Base interactions energy: -271.970
where: short stacking energy: -116.420
Base-Backbone interact. energy: -0.302
local terms energy: -140.843136
where:
bonds (distance) C4'-P energy: -29.132
bonds (distance) P-C4' energy: -31.967
flat angles C4'-P-C4' energy: -29.034
flat angles P-C4'-P energy: -16.921
tors. eta vs tors. theta energy: -33.787
Dist. restrs. and SS energy: 0.632 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -384.925642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.925642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.306817 (E_RNA)
where:
Base-Base interactions energy: -261.116
where: short stacking energy: -96.208
Base-Backbone interact. energy: -1.114
local terms energy: -123.076613
where:
bonds (distance) C4'-P energy: -26.153
bonds (distance) P-C4' energy: -25.890
flat angles C4'-P-C4' energy: -26.919
flat angles P-C4'-P energy: -17.491
tors. eta vs tors. theta energy: -26.623
Dist. restrs. and SS energy: 0.381 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -397.123372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.123372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.595658 (E_RNA)
where:
Base-Base interactions energy: -261.881
where: short stacking energy: -105.075
Base-Backbone interact. energy: -0.809
local terms energy: -134.905720
where:
bonds (distance) C4'-P energy: -27.219
bonds (distance) P-C4' energy: -28.478
flat angles C4'-P-C4' energy: -26.261
flat angles P-C4'-P energy: -20.567
tors. eta vs tors. theta energy: -32.382
Dist. restrs. and SS energy: 0.472 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -380.764156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.764156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.009580 (E_RNA)
where:
Base-Base interactions energy: -257.802
where: short stacking energy: -108.099
Base-Backbone interact. energy: -0.434
local terms energy: -122.773004
where:
bonds (distance) C4'-P energy: -27.509
bonds (distance) P-C4' energy: -24.662
flat angles C4'-P-C4' energy: -29.442
flat angles P-C4'-P energy: -14.586
tors. eta vs tors. theta energy: -26.573
Dist. restrs. and SS energy: 0.245 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -359.812481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.812481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.935853 (E_RNA)
where:
Base-Base interactions energy: -242.807
where: short stacking energy: -93.910
Base-Backbone interact. energy: -0.493
local terms energy: -116.635426
where:
bonds (distance) C4'-P energy: -21.585
bonds (distance) P-C4' energy: -25.066
flat angles C4'-P-C4' energy: -25.772
flat angles P-C4'-P energy: -16.871
tors. eta vs tors. theta energy: -27.341
Dist. restrs. and SS energy: 0.123 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -374.260979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.260979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.270275 (E_RNA)
where:
Base-Base interactions energy: -251.232
where: short stacking energy: -98.022
Base-Backbone interact. energy: 0.228
local terms energy: -123.266254
where:
bonds (distance) C4'-P energy: -23.049
bonds (distance) P-C4' energy: -28.624
flat angles C4'-P-C4' energy: -29.643
flat angles P-C4'-P energy: -15.776
tors. eta vs tors. theta energy: -26.173
Dist. restrs. and SS energy: 0.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -340.878496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.878496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.487226 (E_RNA)
where:
Base-Base interactions energy: -226.529
where: short stacking energy: -88.394
Base-Backbone interact. energy: -1.215
local terms energy: -113.743340
where:
bonds (distance) C4'-P energy: -23.231
bonds (distance) P-C4' energy: -21.805
flat angles C4'-P-C4' energy: -27.115
flat angles P-C4'-P energy: -15.039
tors. eta vs tors. theta energy: -26.554
Dist. restrs. and SS energy: 0.609 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -321.040178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.040178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.253752 (E_RNA)
where:
Base-Base interactions energy: -217.166
where: short stacking energy: -79.607
Base-Backbone interact. energy: 0.802
local terms energy: -104.889049
where:
bonds (distance) C4'-P energy: -18.589
bonds (distance) P-C4' energy: -22.000
flat angles C4'-P-C4' energy: -23.187
flat angles P-C4'-P energy: -19.849
tors. eta vs tors. theta energy: -21.264
Dist. restrs. and SS energy: 0.214 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -319.278462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.278462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.099643 (E_RNA)
where:
Base-Base interactions energy: -213.944
where: short stacking energy: -93.190
Base-Backbone interact. energy: -0.217
local terms energy: -105.939283
where:
bonds (distance) C4'-P energy: -25.828
bonds (distance) P-C4' energy: -25.254
flat angles C4'-P-C4' energy: -24.439
flat angles P-C4'-P energy: -9.846
tors. eta vs tors. theta energy: -20.573
Dist. restrs. and SS energy: 0.821 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -447.784554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.784554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.139255 (E_RNA)
where:
Base-Base interactions energy: -311.688
where: short stacking energy: -123.529
Base-Backbone interact. energy: -2.109
local terms energy: -134.341809
where:
bonds (distance) C4'-P energy: -18.923
bonds (distance) P-C4' energy: -27.378
flat angles C4'-P-C4' energy: -31.754
flat angles P-C4'-P energy: -19.649
tors. eta vs tors. theta energy: -36.639
Dist. restrs. and SS energy: 0.355 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -395.123039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.123039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.321908 (E_RNA)
where:
Base-Base interactions energy: -267.225
where: short stacking energy: -104.818
Base-Backbone interact. energy: 0.184
local terms energy: -128.281353
where:
bonds (distance) C4'-P energy: -26.644
bonds (distance) P-C4' energy: -23.878
flat angles C4'-P-C4' energy: -29.013
flat angles P-C4'-P energy: -20.149
tors. eta vs tors. theta energy: -28.598
Dist. restrs. and SS energy: 0.199 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -385.316033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.316033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.451155 (E_RNA)
where:
Base-Base interactions energy: -255.863
where: short stacking energy: -101.579
Base-Backbone interact. energy: -0.209
local terms energy: -129.379555
where:
bonds (distance) C4'-P energy: -25.655
bonds (distance) P-C4' energy: -24.714
flat angles C4'-P-C4' energy: -26.083
flat angles P-C4'-P energy: -24.340
tors. eta vs tors. theta energy: -28.587
Dist. restrs. and SS energy: 0.135 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -398.434533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.434533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.600184 (E_RNA)
where:
Base-Base interactions energy: -268.444
where: short stacking energy: -109.314
Base-Backbone interact. energy: -0.781
local terms energy: -129.374998
where:
bonds (distance) C4'-P energy: -25.095
bonds (distance) P-C4' energy: -25.850
flat angles C4'-P-C4' energy: -29.417
flat angles P-C4'-P energy: -20.536
tors. eta vs tors. theta energy: -28.477
Dist. restrs. and SS energy: 0.166 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -363.043280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.043280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.358794 (E_RNA)
where:
Base-Base interactions energy: -240.263
where: short stacking energy: -98.673
Base-Backbone interact. energy: -0.288
local terms energy: -122.806929
where:
bonds (distance) C4'-P energy: -25.561
bonds (distance) P-C4' energy: -24.534
flat angles C4'-P-C4' energy: -30.247
flat angles P-C4'-P energy: -19.647
tors. eta vs tors. theta energy: -22.819
Dist. restrs. and SS energy: 0.316 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -372.784120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.784120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.834191 (E_RNA)
where:
Base-Base interactions energy: -254.624
where: short stacking energy: -99.050
Base-Backbone interact. energy: -0.296
local terms energy: -117.914049
where:
bonds (distance) C4'-P energy: -22.590
bonds (distance) P-C4' energy: -25.960
flat angles C4'-P-C4' energy: -29.180
flat angles P-C4'-P energy: -10.564
tors. eta vs tors. theta energy: -29.620
Dist. restrs. and SS energy: 0.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -381.911803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.911803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.004573 (E_RNA)
where:
Base-Base interactions energy: -258.009
where: short stacking energy: -107.528
Base-Backbone interact. energy: -1.871
local terms energy: -122.124859
where:
bonds (distance) C4'-P energy: -22.033
bonds (distance) P-C4' energy: -28.603
flat angles C4'-P-C4' energy: -23.604
flat angles P-C4'-P energy: -20.479
tors. eta vs tors. theta energy: -27.406
Dist. restrs. and SS energy: 0.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -350.076871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.076871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.235694 (E_RNA)
where:
Base-Base interactions energy: -229.494
where: short stacking energy: -93.770
Base-Backbone interact. energy: -0.003
local terms energy: -120.739170
where:
bonds (distance) C4'-P energy: -25.012
bonds (distance) P-C4' energy: -27.871
flat angles C4'-P-C4' energy: -26.913
flat angles P-C4'-P energy: -11.287
tors. eta vs tors. theta energy: -29.656
Dist. restrs. and SS energy: 0.159 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -325.808180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.808180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.372012 (E_RNA)
where:
Base-Base interactions energy: -216.687
where: short stacking energy: -86.890
Base-Backbone interact. energy: -0.302
local terms energy: -109.383780
where:
bonds (distance) C4'-P energy: -23.458
bonds (distance) P-C4' energy: -20.317
flat angles C4'-P-C4' energy: -26.988
flat angles P-C4'-P energy: -16.518
tors. eta vs tors. theta energy: -22.103
Dist. restrs. and SS energy: 0.564 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -307.498896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.498896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.871945 (E_RNA)
where:
Base-Base interactions energy: -199.939
where: short stacking energy: -75.513
Base-Backbone interact. energy: -0.130
local terms energy: -107.802998
where:
bonds (distance) C4'-P energy: -20.920
bonds (distance) P-C4' energy: -25.880
flat angles C4'-P-C4' energy: -24.897
flat angles P-C4'-P energy: -13.428
tors. eta vs tors. theta energy: -22.678
Dist. restrs. and SS energy: 0.373 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -439.295733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.295733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.323298 (E_RNA)
where:
Base-Base interactions energy: -304.648
where: short stacking energy: -123.864
Base-Backbone interact. energy: -0.298
local terms energy: -134.376975
where:
bonds (distance) C4'-P energy: -21.911
bonds (distance) P-C4' energy: -27.591
flat angles C4'-P-C4' energy: -29.765
flat angles P-C4'-P energy: -18.815
tors. eta vs tors. theta energy: -36.295
Dist. restrs. and SS energy: 0.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -419.466738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.466738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.647705 (E_RNA)
where:
Base-Base interactions energy: -288.617
where: short stacking energy: -110.336
Base-Backbone interact. energy: -0.288
local terms energy: -130.742756
where:
bonds (distance) C4'-P energy: -21.730
bonds (distance) P-C4' energy: -23.536
flat angles C4'-P-C4' energy: -30.555
flat angles P-C4'-P energy: -20.767
tors. eta vs tors. theta energy: -34.155
Dist. restrs. and SS energy: 0.181 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -406.578200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.578200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.715284 (E_RNA)
where:
Base-Base interactions energy: -285.417
where: short stacking energy: -113.532
Base-Backbone interact. energy: -0.698
local terms energy: -120.599812
where:
bonds (distance) C4'-P energy: -18.654
bonds (distance) P-C4' energy: -24.985
flat angles C4'-P-C4' energy: -27.787
flat angles P-C4'-P energy: -17.599
tors. eta vs tors. theta energy: -31.574
Dist. restrs. and SS energy: 0.137 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -398.749141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.749141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.073148 (E_RNA)
where:
Base-Base interactions energy: -263.977
where: short stacking energy: -99.026
Base-Backbone interact. energy: -1.110
local terms energy: -133.986558
where:
bonds (distance) C4'-P energy: -27.865
bonds (distance) P-C4' energy: -26.583
flat angles C4'-P-C4' energy: -27.191
flat angles P-C4'-P energy: -19.290
tors. eta vs tors. theta energy: -33.057
Dist. restrs. and SS energy: 0.324 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -399.676664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.676664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.871310 (E_RNA)
where:
Base-Base interactions energy: -273.530
where: short stacking energy: -121.847
Base-Backbone interact. energy: -1.853
local terms energy: -124.488199
where:
bonds (distance) C4'-P energy: -19.848
bonds (distance) P-C4' energy: -24.193
flat angles C4'-P-C4' energy: -27.425
flat angles P-C4'-P energy: -17.814
tors. eta vs tors. theta energy: -35.209
Dist. restrs. and SS energy: 0.195 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -364.511199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.511199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.904849 (E_RNA)
where:
Base-Base interactions energy: -253.878
where: short stacking energy: -106.206
Base-Backbone interact. energy: -2.305
local terms energy: -108.722219
where:
bonds (distance) C4'-P energy: -18.333
bonds (distance) P-C4' energy: -15.498
flat angles C4'-P-C4' energy: -29.165
flat angles P-C4'-P energy: -15.526
tors. eta vs tors. theta energy: -30.202
Dist. restrs. and SS energy: 0.394 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -362.170937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.170937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.330951 (E_RNA)
where:
Base-Base interactions energy: -245.367
where: short stacking energy: -95.163
Base-Backbone interact. energy: 3.854
local terms energy: -120.817979
where:
bonds (distance) C4'-P energy: -23.631
bonds (distance) P-C4' energy: -25.315
flat angles C4'-P-C4' energy: -29.740
flat angles P-C4'-P energy: -15.728
tors. eta vs tors. theta energy: -26.405
Dist. restrs. and SS energy: 0.160 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -338.596589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.596589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.003257 (E_RNA)
where:
Base-Base interactions energy: -219.289
where: short stacking energy: -85.955
Base-Backbone interact. energy: -1.416
local terms energy: -118.298260
where:
bonds (distance) C4'-P energy: -27.119
bonds (distance) P-C4' energy: -19.139
flat angles C4'-P-C4' energy: -26.025
flat angles P-C4'-P energy: -22.099
tors. eta vs tors. theta energy: -23.917
Dist. restrs. and SS energy: 0.407 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -359.672683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.672683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.223362 (E_RNA)
where:
Base-Base interactions energy: -248.232
where: short stacking energy: -112.106
Base-Backbone interact. energy: -1.187
local terms energy: -110.804670
where:
bonds (distance) C4'-P energy: -25.392
bonds (distance) P-C4' energy: -18.780
flat angles C4'-P-C4' energy: -21.931
flat angles P-C4'-P energy: -13.312
tors. eta vs tors. theta energy: -31.389
Dist. restrs. and SS energy: 0.551 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -297.888657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.888657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.709157 (E_RNA)
where:
Base-Base interactions energy: -205.855
where: short stacking energy: -72.217
Base-Backbone interact. energy: 0.110
local terms energy: -92.963933
where:
bonds (distance) C4'-P energy: -16.683
bonds (distance) P-C4' energy: -18.769
flat angles C4'-P-C4' energy: -26.283
flat angles P-C4'-P energy: -10.998
tors. eta vs tors. theta energy: -20.231
Dist. restrs. and SS energy: 0.821 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -421.661738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.661738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.718327 (E_RNA)
where:
Base-Base interactions energy: -285.005
where: short stacking energy: -123.154
Base-Backbone interact. energy: -0.157
local terms energy: -136.556263
where:
bonds (distance) C4'-P energy: -30.460
bonds (distance) P-C4' energy: -29.026
flat angles C4'-P-C4' energy: -28.707
flat angles P-C4'-P energy: -16.538
tors. eta vs tors. theta energy: -31.825
Dist. restrs. and SS energy: 0.057 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -427.393343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.393343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.459110 (E_RNA)
where:
Base-Base interactions energy: -302.567
where: short stacking energy: -115.181
Base-Backbone interact. energy: -0.217
local terms energy: -124.675098
where:
bonds (distance) C4'-P energy: -27.186
bonds (distance) P-C4' energy: -24.684
flat angles C4'-P-C4' energy: -23.482
flat angles P-C4'-P energy: -19.053
tors. eta vs tors. theta energy: -30.270
Dist. restrs. and SS energy: 0.066 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -415.605848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.605848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.720293 (E_RNA)
where:
Base-Base interactions energy: -288.268
where: short stacking energy: -114.807
Base-Backbone interact. energy: -0.771
local terms energy: -126.680921
where:
bonds (distance) C4'-P energy: -25.653
bonds (distance) P-C4' energy: -27.700
flat angles C4'-P-C4' energy: -26.515
flat angles P-C4'-P energy: -18.010
tors. eta vs tors. theta energy: -28.803
Dist. restrs. and SS energy: 0.114 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -401.755449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.755449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.427993 (E_RNA)
where:
Base-Base interactions energy: -272.434
where: short stacking energy: -114.283
Base-Backbone interact. energy: 0.966
local terms energy: -130.960680
where:
bonds (distance) C4'-P energy: -24.060
bonds (distance) P-C4' energy: -23.760
flat angles C4'-P-C4' energy: -29.738
flat angles P-C4'-P energy: -16.751
tors. eta vs tors. theta energy: -36.652
Dist. restrs. and SS energy: 0.673 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -364.040952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.040952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.297274 (E_RNA)
where:
Base-Base interactions energy: -247.923
where: short stacking energy: -92.672
Base-Backbone interact. energy: -0.814
local terms energy: -115.560194
where:
bonds (distance) C4'-P energy: -22.714
bonds (distance) P-C4' energy: -23.433
flat angles C4'-P-C4' energy: -25.705
flat angles P-C4'-P energy: -18.065
tors. eta vs tors. theta energy: -25.644
Dist. restrs. and SS energy: 0.256 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -375.221831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.221831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.395697 (E_RNA)
where:
Base-Base interactions energy: -243.390
where: short stacking energy: -108.609
Base-Backbone interact. energy: -0.715
local terms energy: -131.291397
where:
bonds (distance) C4'-P energy: -28.598
bonds (distance) P-C4' energy: -26.448
flat angles C4'-P-C4' energy: -25.827
flat angles P-C4'-P energy: -18.065
tors. eta vs tors. theta energy: -32.353
Dist. restrs. and SS energy: 0.174 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -370.061869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.061869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.526708 (E_RNA)
where:
Base-Base interactions energy: -253.747
where: short stacking energy: -110.538
Base-Backbone interact. energy: -0.632
local terms energy: -116.147924
where:
bonds (distance) C4'-P energy: -19.778
bonds (distance) P-C4' energy: -19.965
flat angles C4'-P-C4' energy: -27.240
flat angles P-C4'-P energy: -19.758
tors. eta vs tors. theta energy: -29.408
Dist. restrs. and SS energy: 0.465 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -345.462339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.462339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.571928 (E_RNA)
where:
Base-Base interactions energy: -236.761
where: short stacking energy: -98.917
Base-Backbone interact. energy: -0.618
local terms energy: -108.192884
where:
bonds (distance) C4'-P energy: -19.916
bonds (distance) P-C4' energy: -21.055
flat angles C4'-P-C4' energy: -18.614
flat angles P-C4'-P energy: -20.587
tors. eta vs tors. theta energy: -28.021
Dist. restrs. and SS energy: 0.110 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -333.071884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.071884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.450478 (E_RNA)
where:
Base-Base interactions energy: -221.454
where: short stacking energy: -92.374
Base-Backbone interact. energy: -0.996
local terms energy: -111.000286
where:
bonds (distance) C4'-P energy: -21.977
bonds (distance) P-C4' energy: -23.502
flat angles C4'-P-C4' energy: -25.977
flat angles P-C4'-P energy: -12.303
tors. eta vs tors. theta energy: -27.242
Dist. restrs. and SS energy: 0.379 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -342.223872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.223872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.386002 (E_RNA)
where:
Base-Base interactions energy: -229.522
where: short stacking energy: -90.796
Base-Backbone interact. energy: -0.561
local terms energy: -112.302953
where:
bonds (distance) C4'-P energy: -20.486
bonds (distance) P-C4' energy: -24.298
flat angles C4'-P-C4' energy: -26.895
flat angles P-C4'-P energy: -11.641
tors. eta vs tors. theta energy: -28.982
Dist. restrs. and SS energy: 0.162 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -414.302032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.302032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.416989 (E_RNA)
where:
Base-Base interactions energy: -270.706
where: short stacking energy: -115.186
Base-Backbone interact. energy: -0.262
local terms energy: -143.448106
where:
bonds (distance) C4'-P energy: -31.776
bonds (distance) P-C4' energy: -28.462
flat angles C4'-P-C4' energy: -29.745
flat angles P-C4'-P energy: -22.925
tors. eta vs tors. theta energy: -30.540
Dist. restrs. and SS energy: 0.115 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -428.677367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.677367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.906172 (E_RNA)
where:
Base-Base interactions energy: -294.237
where: short stacking energy: -110.859
Base-Backbone interact. energy: 2.177
local terms energy: -136.847040
where:
bonds (distance) C4'-P energy: -30.157
bonds (distance) P-C4' energy: -27.169
flat angles C4'-P-C4' energy: -23.360
flat angles P-C4'-P energy: -21.789
tors. eta vs tors. theta energy: -34.372
Dist. restrs. and SS energy: 0.229 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -411.761947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.761947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.867143 (E_RNA)
where:
Base-Base interactions energy: -285.402
where: short stacking energy: -113.975
Base-Backbone interact. energy: -0.107
local terms energy: -126.358070
where:
bonds (distance) C4'-P energy: -23.170
bonds (distance) P-C4' energy: -23.383
flat angles C4'-P-C4' energy: -27.176
flat angles P-C4'-P energy: -20.455
tors. eta vs tors. theta energy: -32.175
Dist. restrs. and SS energy: 0.105 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -386.670866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.670866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.042017 (E_RNA)
where:
Base-Base interactions energy: -254.791
where: short stacking energy: -121.172
Base-Backbone interact. energy: -0.123
local terms energy: -132.127489
where:
bonds (distance) C4'-P energy: -25.777
bonds (distance) P-C4' energy: -24.340
flat angles C4'-P-C4' energy: -30.800
flat angles P-C4'-P energy: -18.942
tors. eta vs tors. theta energy: -32.269
Dist. restrs. and SS energy: 0.371 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -389.837568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.837568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.245481 (E_RNA)
where:
Base-Base interactions energy: -268.557
where: short stacking energy: -102.447
Base-Backbone interact. energy: -0.338
local terms energy: -121.350584
where:
bonds (distance) C4'-P energy: -24.609
bonds (distance) P-C4' energy: -24.332
flat angles C4'-P-C4' energy: -24.952
flat angles P-C4'-P energy: -14.514
tors. eta vs tors. theta energy: -32.943
Dist. restrs. and SS energy: 0.408 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -366.227723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.227723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.354667 (E_RNA)
where:
Base-Base interactions energy: -253.651
where: short stacking energy: -107.978
Base-Backbone interact. energy: -0.303
local terms energy: -112.400723
where:
bonds (distance) C4'-P energy: -22.658
bonds (distance) P-C4' energy: -17.717
flat angles C4'-P-C4' energy: -25.064
flat angles P-C4'-P energy: -11.061
tors. eta vs tors. theta energy: -35.902
Dist. restrs. and SS energy: 0.127 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -357.414412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.414412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.611098 (E_RNA)
where:
Base-Base interactions energy: -239.456
where: short stacking energy: -97.177
Base-Backbone interact. energy: -0.144
local terms energy: -118.010504
where:
bonds (distance) C4'-P energy: -26.582
bonds (distance) P-C4' energy: -26.664
flat angles C4'-P-C4' energy: -23.959
flat angles P-C4'-P energy: -17.852
tors. eta vs tors. theta energy: -22.953
Dist. restrs. and SS energy: 0.197 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -335.081379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.081379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.366628 (E_RNA)
where:
Base-Base interactions energy: -223.100
where: short stacking energy: -78.252
Base-Backbone interact. energy: -0.956
local terms energy: -111.309908
where:
bonds (distance) C4'-P energy: -24.656
bonds (distance) P-C4' energy: -28.913
flat angles C4'-P-C4' energy: -24.334
flat angles P-C4'-P energy: -16.279
tors. eta vs tors. theta energy: -17.127
Dist. restrs. and SS energy: 0.285 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -352.810225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.810225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.212127 (E_RNA)
where:
Base-Base interactions energy: -239.808
where: short stacking energy: -97.994
Base-Backbone interact. energy: -0.604
local terms energy: -112.800165
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -25.872
flat angles C4'-P-C4' energy: -23.364
flat angles P-C4'-P energy: -14.028
tors. eta vs tors. theta energy: -32.938
Dist. restrs. and SS energy: 0.402 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -303.385943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.385943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.942984 (E_RNA)
where:
Base-Base interactions energy: -217.549
where: short stacking energy: -88.305
Base-Backbone interact. energy: -0.498
local terms energy: -85.895686
where:
bonds (distance) C4'-P energy: -10.735
bonds (distance) P-C4' energy: -24.955
flat angles C4'-P-C4' energy: -22.017
flat angles P-C4'-P energy: -12.381
tors. eta vs tors. theta energy: -15.808
Dist. restrs. and SS energy: 0.557 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -442.921879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.921879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.973015 (E_RNA)
where:
Base-Base interactions energy: -304.513
where: short stacking energy: -113.492
Base-Backbone interact. energy: -0.511
local terms energy: -137.948716
where:
bonds (distance) C4'-P energy: -24.341
bonds (distance) P-C4' energy: -31.398
flat angles C4'-P-C4' energy: -28.640
flat angles P-C4'-P energy: -19.743
tors. eta vs tors. theta energy: -33.827
Dist. restrs. and SS energy: 0.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -414.469559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.469559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.485336 (E_RNA)
where:
Base-Base interactions energy: -279.430
where: short stacking energy: -107.644
Base-Backbone interact. energy: -1.004
local terms energy: -134.051658
where:
bonds (distance) C4'-P energy: -28.357
bonds (distance) P-C4' energy: -27.753
flat angles C4'-P-C4' energy: -32.234
flat angles P-C4'-P energy: -16.331
tors. eta vs tors. theta energy: -29.376
Dist. restrs. and SS energy: 0.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -415.787462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.787462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.164180 (E_RNA)
where:
Base-Base interactions energy: -293.866
where: short stacking energy: -116.092
Base-Backbone interact. energy: -1.498
local terms energy: -120.800011
where:
bonds (distance) C4'-P energy: -18.598
bonds (distance) P-C4' energy: -22.854
flat angles C4'-P-C4' energy: -30.358
flat angles P-C4'-P energy: -12.395
tors. eta vs tors. theta energy: -36.594
Dist. restrs. and SS energy: 0.377 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -385.248978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.248978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.400761 (E_RNA)
where:
Base-Base interactions energy: -259.094
where: short stacking energy: -108.763
Base-Backbone interact. energy: 0.252
local terms energy: -126.558966
where:
bonds (distance) C4'-P energy: -31.294
bonds (distance) P-C4' energy: -27.470
flat angles C4'-P-C4' energy: -25.946
flat angles P-C4'-P energy: -12.292
tors. eta vs tors. theta energy: -29.557
Dist. restrs. and SS energy: 0.152 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -367.890943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.890943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.975431 (E_RNA)
where:
Base-Base interactions energy: -244.434
where: short stacking energy: -104.978
Base-Backbone interact. energy: -0.469
local terms energy: -123.071963
where:
bonds (distance) C4'-P energy: -22.813
bonds (distance) P-C4' energy: -27.756
flat angles C4'-P-C4' energy: -25.801
flat angles P-C4'-P energy: -16.129
tors. eta vs tors. theta energy: -30.573
Dist. restrs. and SS energy: 0.084 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -382.125248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.125248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.434184 (E_RNA)
where:
Base-Base interactions energy: -268.020
where: short stacking energy: -106.999
Base-Backbone interact. energy: -0.421
local terms energy: -113.992468
where:
bonds (distance) C4'-P energy: -20.605
bonds (distance) P-C4' energy: -23.191
flat angles C4'-P-C4' energy: -25.867
flat angles P-C4'-P energy: -15.987
tors. eta vs tors. theta energy: -28.342
Dist. restrs. and SS energy: 0.309 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -337.297877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.297877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.069806 (E_RNA)
where:
Base-Base interactions energy: -228.467
where: short stacking energy: -97.455
Base-Backbone interact. energy: -0.213
local terms energy: -109.389865
where:
bonds (distance) C4'-P energy: -21.057
bonds (distance) P-C4' energy: -22.780
flat angles C4'-P-C4' energy: -22.783
flat angles P-C4'-P energy: -17.536
tors. eta vs tors. theta energy: -25.234
Dist. restrs. and SS energy: 0.772 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -351.115422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.115422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.263499 (E_RNA)
where:
Base-Base interactions energy: -230.709
where: short stacking energy: -90.291
Base-Backbone interact. energy: -2.231
local terms energy: -118.323297
where:
bonds (distance) C4'-P energy: -20.852
bonds (distance) P-C4' energy: -22.860
flat angles C4'-P-C4' energy: -30.832
flat angles P-C4'-P energy: -19.831
tors. eta vs tors. theta energy: -23.948
Dist. restrs. and SS energy: 0.148 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -377.201692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.201692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.250770 (E_RNA)
where:
Base-Base interactions energy: -256.047
where: short stacking energy: -100.349
Base-Backbone interact. energy: -0.314
local terms energy: -120.889354
where:
bonds (distance) C4'-P energy: -28.962
bonds (distance) P-C4' energy: -26.681
flat angles C4'-P-C4' energy: -22.900
flat angles P-C4'-P energy: -9.592
tors. eta vs tors. theta energy: -32.754
Dist. restrs. and SS energy: 0.049 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -311.956338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.956338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.491877 (E_RNA)
where:
Base-Base interactions energy: -204.262
where: short stacking energy: -73.142
Base-Backbone interact. energy: -0.473
local terms energy: -107.757687
where:
bonds (distance) C4'-P energy: -18.612
bonds (distance) P-C4' energy: -23.851
flat angles C4'-P-C4' energy: -27.758
flat angles P-C4'-P energy: -21.741
tors. eta vs tors. theta energy: -15.795
Dist. restrs. and SS energy: 0.536 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -450.189643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.189643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.320153 (E_RNA)
where:
Base-Base interactions energy: -315.513
where: short stacking energy: -115.625
Base-Backbone interact. energy: -1.918
local terms energy: -132.888648
where:
bonds (distance) C4'-P energy: -28.817
bonds (distance) P-C4' energy: -23.873
flat angles C4'-P-C4' energy: -25.900
flat angles P-C4'-P energy: -18.543
tors. eta vs tors. theta energy: -35.755
Dist. restrs. and SS energy: 0.131 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -419.518973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.518973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.988337 (E_RNA)
where:
Base-Base interactions energy: -291.108
where: short stacking energy: -111.804
Base-Backbone interact. energy: 0.488
local terms energy: -129.368499
where:
bonds (distance) C4'-P energy: -28.671
bonds (distance) P-C4' energy: -25.866
flat angles C4'-P-C4' energy: -29.098
flat angles P-C4'-P energy: -14.579
tors. eta vs tors. theta energy: -31.156
Dist. restrs. and SS energy: 0.469 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -382.508330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.508330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.882973 (E_RNA)
where:
Base-Base interactions energy: -254.978
where: short stacking energy: -96.778
Base-Backbone interact. energy: -0.361
local terms energy: -127.544361
where:
bonds (distance) C4'-P energy: -30.881
bonds (distance) P-C4' energy: -23.960
flat angles C4'-P-C4' energy: -29.355
flat angles P-C4'-P energy: -18.670
tors. eta vs tors. theta energy: -24.678
Dist. restrs. and SS energy: 0.375 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -405.974135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.974135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.014208 (E_RNA)
where:
Base-Base interactions energy: -264.582
where: short stacking energy: -108.091
Base-Backbone interact. energy: -0.084
local terms energy: -141.347885
where:
bonds (distance) C4'-P energy: -30.137
bonds (distance) P-C4' energy: -29.206
flat angles C4'-P-C4' energy: -27.971
flat angles P-C4'-P energy: -17.697
tors. eta vs tors. theta energy: -36.337
Dist. restrs. and SS energy: 0.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -393.879059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.879059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.105110 (E_RNA)
where:
Base-Base interactions energy: -274.585
where: short stacking energy: -100.454
Base-Backbone interact. energy: -0.713
local terms energy: -118.806535
where:
bonds (distance) C4'-P energy: -17.741
bonds (distance) P-C4' energy: -27.531
flat angles C4'-P-C4' energy: -30.182
flat angles P-C4'-P energy: -14.727
tors. eta vs tors. theta energy: -28.626
Dist. restrs. and SS energy: 0.226 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -346.622370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.622370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.926328 (E_RNA)
where:
Base-Base interactions energy: -230.023
where: short stacking energy: -94.017
Base-Backbone interact. energy: -0.080
local terms energy: -116.823102
where:
bonds (distance) C4'-P energy: -25.945
bonds (distance) P-C4' energy: -28.269
flat angles C4'-P-C4' energy: -20.131
flat angles P-C4'-P energy: -19.801
tors. eta vs tors. theta energy: -22.676
Dist. restrs. and SS energy: 0.304 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -352.365234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.365234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.566989 (E_RNA)
where:
Base-Base interactions energy: -240.854
where: short stacking energy: -90.279
Base-Backbone interact. energy: -1.411
local terms energy: -110.301619
where:
bonds (distance) C4'-P energy: -23.588
bonds (distance) P-C4' energy: -21.837
flat angles C4'-P-C4' energy: -23.587
flat angles P-C4'-P energy: -16.692
tors. eta vs tors. theta energy: -24.598
Dist. restrs. and SS energy: 0.202 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -372.129925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.129925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.491608 (E_RNA)
where:
Base-Base interactions energy: -254.047
where: short stacking energy: -101.203
Base-Backbone interact. energy: 0.790
local terms energy: -119.235067
where:
bonds (distance) C4'-P energy: -22.124
bonds (distance) P-C4' energy: -18.706
flat angles C4'-P-C4' energy: -29.839
flat angles P-C4'-P energy: -20.781
tors. eta vs tors. theta energy: -27.785
Dist. restrs. and SS energy: 0.362 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -329.413401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.413401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.673347 (E_RNA)
where:
Base-Base interactions energy: -225.081
where: short stacking energy: -94.282
Base-Backbone interact. energy: -0.745
local terms energy: -103.847593
where:
bonds (distance) C4'-P energy: -23.543
bonds (distance) P-C4' energy: -27.143
flat angles C4'-P-C4' energy: -21.515
flat angles P-C4'-P energy: -11.346
tors. eta vs tors. theta energy: -20.301
Dist. restrs. and SS energy: 0.260 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -309.133207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.133207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.332988 (E_RNA)
where:
Base-Base interactions energy: -210.069
where: short stacking energy: -83.384
Base-Backbone interact. energy: -0.324
local terms energy: -98.939965
where:
bonds (distance) C4'-P energy: -22.152
bonds (distance) P-C4' energy: -27.532
flat angles C4'-P-C4' energy: -19.516
flat angles P-C4'-P energy: -7.533
tors. eta vs tors. theta energy: -22.206
Dist. restrs. and SS energy: 0.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -441.859497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.859497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.049250 (E_RNA)
where:
Base-Base interactions energy: -305.403
where: short stacking energy: -116.123
Base-Backbone interact. energy: -0.270
local terms energy: -136.375871
where:
bonds (distance) C4'-P energy: -23.057
bonds (distance) P-C4' energy: -28.268
flat angles C4'-P-C4' energy: -30.385
flat angles P-C4'-P energy: -18.912
tors. eta vs tors. theta energy: -35.754
Dist. restrs. and SS energy: 0.190 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -421.816022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.816022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.965735 (E_RNA)
where:
Base-Base interactions energy: -292.565
where: short stacking energy: -113.877
Base-Backbone interact. energy: -0.034
local terms energy: -129.366567
where:
bonds (distance) C4'-P energy: -31.068
bonds (distance) P-C4' energy: -26.710
flat angles C4'-P-C4' energy: -28.208
flat angles P-C4'-P energy: -9.739
tors. eta vs tors. theta energy: -33.641
Dist. restrs. and SS energy: 0.150 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -409.557944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.557944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.075833 (E_RNA)
where:
Base-Base interactions energy: -277.614
where: short stacking energy: -115.701
Base-Backbone interact. energy: -0.426
local terms energy: -132.035905
where:
bonds (distance) C4'-P energy: -26.209
bonds (distance) P-C4' energy: -30.034
flat angles C4'-P-C4' energy: -29.401
flat angles P-C4'-P energy: -11.896
tors. eta vs tors. theta energy: -34.496
Dist. restrs. and SS energy: 0.518 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -385.556453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.556453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.285518 (E_RNA)
where:
Base-Base interactions energy: -260.618
where: short stacking energy: -88.793
Base-Backbone interact. energy: 2.077
local terms energy: -127.745022
where:
bonds (distance) C4'-P energy: -24.450
bonds (distance) P-C4' energy: -27.574
flat angles C4'-P-C4' energy: -32.720
flat angles P-C4'-P energy: -16.605
tors. eta vs tors. theta energy: -26.397
Dist. restrs. and SS energy: 0.729 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -400.808526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.808526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.934221 (E_RNA)
where:
Base-Base interactions energy: -278.591
where: short stacking energy: -96.075
Base-Backbone interact. energy: -0.926
local terms energy: -121.417899
where:
bonds (distance) C4'-P energy: -24.802
bonds (distance) P-C4' energy: -22.624
flat angles C4'-P-C4' energy: -21.985
flat angles P-C4'-P energy: -23.121
tors. eta vs tors. theta energy: -28.886
Dist. restrs. and SS energy: 0.126 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -354.525347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.525347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.544150 (E_RNA)
where:
Base-Base interactions energy: -236.153
where: short stacking energy: -97.158
Base-Backbone interact. energy: -1.438
local terms energy: -116.952943
where:
bonds (distance) C4'-P energy: -23.700
bonds (distance) P-C4' energy: -26.303
flat angles C4'-P-C4' energy: -24.772
flat angles P-C4'-P energy: -16.266
tors. eta vs tors. theta energy: -25.912
Dist. restrs. and SS energy: 0.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -351.399545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.399545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.532820 (E_RNA)
where:
Base-Base interactions energy: -247.883
where: short stacking energy: -89.804
Base-Backbone interact. energy: -0.177
local terms energy: -103.472974
where:
bonds (distance) C4'-P energy: -21.642
bonds (distance) P-C4' energy: -22.099
flat angles C4'-P-C4' energy: -23.517
flat angles P-C4'-P energy: -14.647
tors. eta vs tors. theta energy: -21.567
Dist. restrs. and SS energy: 0.133 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -346.185460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.185460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.215126 (E_RNA)
where:
Base-Base interactions energy: -235.618
where: short stacking energy: -83.300
Base-Backbone interact. energy: -0.530
local terms energy: -110.067085
where:
bonds (distance) C4'-P energy: -26.444
bonds (distance) P-C4' energy: -20.904
flat angles C4'-P-C4' energy: -28.663
flat angles P-C4'-P energy: -10.388
tors. eta vs tors. theta energy: -23.668
Dist. restrs. and SS energy: 0.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -327.039482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.039482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.772316 (E_RNA)
where:
Base-Base interactions energy: -224.168
where: short stacking energy: -83.679
Base-Backbone interact. energy: -0.671
local terms energy: -102.933120
where:
bonds (distance) C4'-P energy: -20.716
bonds (distance) P-C4' energy: -21.057
flat angles C4'-P-C4' energy: -25.329
flat angles P-C4'-P energy: -15.544
tors. eta vs tors. theta energy: -20.287
Dist. restrs. and SS energy: 0.733 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -317.536075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.536075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.823410 (E_RNA)
where:
Base-Base interactions energy: -218.583
where: short stacking energy: -84.989
Base-Backbone interact. energy: -0.127
local terms energy: -99.113276
where:
bonds (distance) C4'-P energy: -19.364
bonds (distance) P-C4' energy: -23.971
flat angles C4'-P-C4' energy: -25.428
flat angles P-C4'-P energy: -15.625
tors. eta vs tors. theta energy: -14.725
Dist. restrs. and SS energy: 0.287 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -436.419334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.419334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.577275 (E_RNA)
where:
Base-Base interactions energy: -300.618
where: short stacking energy: -114.377
Base-Backbone interact. energy: -0.835
local terms energy: -135.123951
where:
bonds (distance) C4'-P energy: -18.892
bonds (distance) P-C4' energy: -28.400
flat angles C4'-P-C4' energy: -31.560
flat angles P-C4'-P energy: -23.434
tors. eta vs tors. theta energy: -32.838
Dist. restrs. and SS energy: 0.158 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -404.194750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.194750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.465980 (E_RNA)
where:
Base-Base interactions energy: -274.071
where: short stacking energy: -116.713
Base-Backbone interact. energy: -1.356
local terms energy: -129.039620
where:
bonds (distance) C4'-P energy: -22.385
bonds (distance) P-C4' energy: -27.360
flat angles C4'-P-C4' energy: -30.324
flat angles P-C4'-P energy: -21.295
tors. eta vs tors. theta energy: -27.677
Dist. restrs. and SS energy: 0.271 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -402.255213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.255213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.457355 (E_RNA)
where:
Base-Base interactions energy: -276.359
where: short stacking energy: -108.482
Base-Backbone interact. energy: -0.868
local terms energy: -125.229888
where:
bonds (distance) C4'-P energy: -24.324
bonds (distance) P-C4' energy: -27.352
flat angles C4'-P-C4' energy: -25.866
flat angles P-C4'-P energy: -19.324
tors. eta vs tors. theta energy: -28.364
Dist. restrs. and SS energy: 0.202 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -373.782920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.782920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.925177 (E_RNA)
where:
Base-Base interactions energy: -245.922
where: short stacking energy: -100.108
Base-Backbone interact. energy: -0.654
local terms energy: -128.349533
where:
bonds (distance) C4'-P energy: -26.706
bonds (distance) P-C4' energy: -24.651
flat angles C4'-P-C4' energy: -29.677
flat angles P-C4'-P energy: -19.036
tors. eta vs tors. theta energy: -28.280
Dist. restrs. and SS energy: 1.142 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -387.063235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.063235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.204144 (E_RNA)
where:
Base-Base interactions energy: -259.661
where: short stacking energy: -96.484
Base-Backbone interact. energy: 1.331
local terms energy: -128.873904
where:
bonds (distance) C4'-P energy: -25.306
bonds (distance) P-C4' energy: -22.913
flat angles C4'-P-C4' energy: -28.512
flat angles P-C4'-P energy: -22.127
tors. eta vs tors. theta energy: -30.017
Dist. restrs. and SS energy: 0.141 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -375.716247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.716247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.963941 (E_RNA)
where:
Base-Base interactions energy: -253.235
where: short stacking energy: -108.715
Base-Backbone interact. energy: 2.368
local terms energy: -125.097715
where:
bonds (distance) C4'-P energy: -25.649
bonds (distance) P-C4' energy: -26.180
flat angles C4'-P-C4' energy: -26.216
flat angles P-C4'-P energy: -21.787
tors. eta vs tors. theta energy: -25.266
Dist. restrs. and SS energy: 0.248 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -341.620381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.620381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.646576 (E_RNA)
where:
Base-Base interactions energy: -238.417
where: short stacking energy: -94.584
Base-Backbone interact. energy: 0.476
local terms energy: -103.705398
where:
bonds (distance) C4'-P energy: -26.093
bonds (distance) P-C4' energy: -26.197
flat angles C4'-P-C4' energy: -20.614
flat angles P-C4'-P energy: -11.937
tors. eta vs tors. theta energy: -18.865
Dist. restrs. and SS energy: 0.026 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -307.731959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.731959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.009865 (E_RNA)
where:
Base-Base interactions energy: -209.983
where: short stacking energy: -77.994
Base-Backbone interact. energy: -0.089
local terms energy: -97.938420
where:
bonds (distance) C4'-P energy: -24.950
bonds (distance) P-C4' energy: -18.081
flat angles C4'-P-C4' energy: -23.063
flat angles P-C4'-P energy: -12.187
tors. eta vs tors. theta energy: -19.657
Dist. restrs. and SS energy: 0.278 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -321.768692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.768692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.260459 (E_RNA)
where:
Base-Base interactions energy: -210.207
where: short stacking energy: -86.049
Base-Backbone interact. energy: -0.367
local terms energy: -111.686712
where:
bonds (distance) C4'-P energy: -22.685
bonds (distance) P-C4' energy: -28.413
flat angles C4'-P-C4' energy: -19.671
flat angles P-C4'-P energy: -12.361
tors. eta vs tors. theta energy: -28.556
Dist. restrs. and SS energy: 0.492 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -286.965811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.965811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.434718 (E_RNA)
where:
Base-Base interactions energy: -193.321
where: short stacking energy: -73.133
Base-Backbone interact. energy: -0.639
local terms energy: -96.474259
where:
bonds (distance) C4'-P energy: -16.624
bonds (distance) P-C4' energy: -28.203
flat angles C4'-P-C4' energy: -24.996
flat angles P-C4'-P energy: -9.675
tors. eta vs tors. theta energy: -16.975
Dist. restrs. and SS energy: 3.469 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -435.222060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.222060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.455733 (E_RNA)
where:
Base-Base interactions energy: -304.764
where: short stacking energy: -104.292
Base-Backbone interact. energy: -0.287
local terms energy: -130.405162
where:
bonds (distance) C4'-P energy: -26.298
bonds (distance) P-C4' energy: -24.091
flat angles C4'-P-C4' energy: -31.805
flat angles P-C4'-P energy: -13.027
tors. eta vs tors. theta energy: -35.184
Dist. restrs. and SS energy: 0.234 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -404.583757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.583757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.925753 (E_RNA)
where:
Base-Base interactions energy: -271.591
where: short stacking energy: -111.832
Base-Backbone interact. energy: -0.303
local terms energy: -133.031402
where:
bonds (distance) C4'-P energy: -26.440
bonds (distance) P-C4' energy: -31.884
flat angles C4'-P-C4' energy: -27.533
flat angles P-C4'-P energy: -19.125
tors. eta vs tors. theta energy: -28.050
Dist. restrs. and SS energy: 0.342 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -394.560474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.560474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.755411 (E_RNA)
where:
Base-Base interactions energy: -267.673
where: short stacking energy: -118.446
Base-Backbone interact. energy: -0.195
local terms energy: -126.887613
where:
bonds (distance) C4'-P energy: -29.379
bonds (distance) P-C4' energy: -22.868
flat angles C4'-P-C4' energy: -30.490
flat angles P-C4'-P energy: -12.548
tors. eta vs tors. theta energy: -31.603
Dist. restrs. and SS energy: 0.195 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -370.746164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.746164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.981177 (E_RNA)
where:
Base-Base interactions energy: -245.678
where: short stacking energy: -104.480
Base-Backbone interact. energy: -0.090
local terms energy: -125.213816
where:
bonds (distance) C4'-P energy: -27.267
bonds (distance) P-C4' energy: -26.631
flat angles C4'-P-C4' energy: -26.658
flat angles P-C4'-P energy: -18.265
tors. eta vs tors. theta energy: -26.393
Dist. restrs. and SS energy: 0.235 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -368.667985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.667985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.752799 (E_RNA)
where:
Base-Base interactions energy: -250.595
where: short stacking energy: -103.804
Base-Backbone interact. energy: -0.793
local terms energy: -117.365358
where:
bonds (distance) C4'-P energy: -19.222
bonds (distance) P-C4' energy: -25.791
flat angles C4'-P-C4' energy: -24.353
flat angles P-C4'-P energy: -20.994
tors. eta vs tors. theta energy: -27.004
Dist. restrs. and SS energy: 0.085 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -385.863138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.863138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.172793 (E_RNA)
where:
Base-Base interactions energy: -269.049
where: short stacking energy: -107.400
Base-Backbone interact. energy: -1.151
local terms energy: -115.973101
where:
bonds (distance) C4'-P energy: -19.957
bonds (distance) P-C4' energy: -24.427
flat angles C4'-P-C4' energy: -28.224
flat angles P-C4'-P energy: -14.023
tors. eta vs tors. theta energy: -29.341
Dist. restrs. and SS energy: 0.310 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -357.189971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.189971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.370580 (E_RNA)
where:
Base-Base interactions energy: -240.458
where: short stacking energy: -84.403
Base-Backbone interact. energy: -0.564
local terms energy: -116.348460
where:
bonds (distance) C4'-P energy: -27.493
bonds (distance) P-C4' energy: -24.682
flat angles C4'-P-C4' energy: -26.453
flat angles P-C4'-P energy: -17.552
tors. eta vs tors. theta energy: -20.170
Dist. restrs. and SS energy: 0.181 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -330.397264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.397264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.467791 (E_RNA)
where:
Base-Base interactions energy: -211.769
where: short stacking energy: -85.067
Base-Backbone interact. energy: -0.002
local terms energy: -118.697551
where:
bonds (distance) C4'-P energy: -28.966
bonds (distance) P-C4' energy: -22.685
flat angles C4'-P-C4' energy: -29.365
flat angles P-C4'-P energy: -17.015
tors. eta vs tors. theta energy: -20.667
Dist. restrs. and SS energy: 0.071 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -336.364905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.364905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.910440 (E_RNA)
where:
Base-Base interactions energy: -225.685
where: short stacking energy: -95.071
Base-Backbone interact. energy: -0.393
local terms energy: -110.833054
where:
bonds (distance) C4'-P energy: -18.852
bonds (distance) P-C4' energy: -24.399
flat angles C4'-P-C4' energy: -28.532
flat angles P-C4'-P energy: -15.908
tors. eta vs tors. theta energy: -23.143
Dist. restrs. and SS energy: 0.546 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -312.108078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.108078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.377861 (E_RNA)
where:
Base-Base interactions energy: -199.923
where: short stacking energy: -72.166
Base-Backbone interact. energy: -0.144
local terms energy: -112.311172
where:
bonds (distance) C4'-P energy: -22.462
bonds (distance) P-C4' energy: -22.878
flat angles C4'-P-C4' energy: -28.048
flat angles P-C4'-P energy: -16.658
tors. eta vs tors. theta energy: -22.266
Dist. restrs. and SS energy: 0.270 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -431.793386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.793386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.192609 (E_RNA)
where:
Base-Base interactions energy: -302.495
where: short stacking energy: -113.280
Base-Backbone interact. energy: -0.345
local terms energy: -129.351825
where:
bonds (distance) C4'-P energy: -28.530
bonds (distance) P-C4' energy: -29.768
flat angles C4'-P-C4' energy: -26.900
flat angles P-C4'-P energy: -14.922
tors. eta vs tors. theta energy: -29.232
Dist. restrs. and SS energy: 0.399 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -410.155288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.155288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.410951 (E_RNA)
where:
Base-Base interactions energy: -276.490
where: short stacking energy: -121.728
Base-Backbone interact. energy: -0.608
local terms energy: -133.312923
where:
bonds (distance) C4'-P energy: -27.125
bonds (distance) P-C4' energy: -27.059
flat angles C4'-P-C4' energy: -30.120
flat angles P-C4'-P energy: -18.445
tors. eta vs tors. theta energy: -30.564
Dist. restrs. and SS energy: 0.256 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -408.100152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.100152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.524726 (E_RNA)
where:
Base-Base interactions energy: -269.503
where: short stacking energy: -118.242
Base-Backbone interact. energy: 0.494
local terms energy: -139.515094
where:
bonds (distance) C4'-P energy: -31.006
bonds (distance) P-C4' energy: -28.515
flat angles C4'-P-C4' energy: -29.727
flat angles P-C4'-P energy: -17.023
tors. eta vs tors. theta energy: -33.244
Dist. restrs. and SS energy: 0.425 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -378.533538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.533538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.897065 (E_RNA)
where:
Base-Base interactions energy: -249.150
where: short stacking energy: -104.066
Base-Backbone interact. energy: -1.218
local terms energy: -128.529058
where:
bonds (distance) C4'-P energy: -26.781
bonds (distance) P-C4' energy: -25.815
flat angles C4'-P-C4' energy: -28.014
flat angles P-C4'-P energy: -16.676
tors. eta vs tors. theta energy: -31.244
Dist. restrs. and SS energy: 0.364 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -361.067775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.067775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.462881 (E_RNA)
where:
Base-Base interactions energy: -236.040
where: short stacking energy: -104.981
Base-Backbone interact. energy: -0.288
local terms energy: -125.134340
where:
bonds (distance) C4'-P energy: -26.857
bonds (distance) P-C4' energy: -31.465
flat angles C4'-P-C4' energy: -23.937
flat angles P-C4'-P energy: -13.990
tors. eta vs tors. theta energy: -28.885
Dist. restrs. and SS energy: 0.395 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -368.853163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.853163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.902812 (E_RNA)
where:
Base-Base interactions energy: -249.718
where: short stacking energy: -106.384
Base-Backbone interact. energy: -0.122
local terms energy: -119.063162
where:
bonds (distance) C4'-P energy: -20.333
bonds (distance) P-C4' energy: -32.894
flat angles C4'-P-C4' energy: -19.906
flat angles P-C4'-P energy: -16.421
tors. eta vs tors. theta energy: -29.509
Dist. restrs. and SS energy: 0.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -358.010980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.010980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.200992 (E_RNA)
where:
Base-Base interactions energy: -243.318
where: short stacking energy: -100.846
Base-Backbone interact. energy: -0.655
local terms energy: -114.227893
where:
bonds (distance) C4'-P energy: -21.311
bonds (distance) P-C4' energy: -24.646
flat angles C4'-P-C4' energy: -22.719
flat angles P-C4'-P energy: -20.407
tors. eta vs tors. theta energy: -25.145
Dist. restrs. and SS energy: 0.190 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -345.884470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.884470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.685463 (E_RNA)
where:
Base-Base interactions energy: -235.401
where: short stacking energy: -85.103
Base-Backbone interact. energy: 0.111
local terms energy: -111.395056
where:
bonds (distance) C4'-P energy: -23.372
bonds (distance) P-C4' energy: -19.914
flat angles C4'-P-C4' energy: -25.563
flat angles P-C4'-P energy: -15.685
tors. eta vs tors. theta energy: -26.862
Dist. restrs. and SS energy: 0.801 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -332.938176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.938176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.135878 (E_RNA)
where:
Base-Base interactions energy: -229.486
where: short stacking energy: -91.181
Base-Backbone interact. energy: -0.307
local terms energy: -103.343399
where:
bonds (distance) C4'-P energy: -18.375
bonds (distance) P-C4' energy: -26.054
flat angles C4'-P-C4' energy: -25.850
flat angles P-C4'-P energy: -8.191
tors. eta vs tors. theta energy: -24.872
Dist. restrs. and SS energy: 0.198 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -313.208997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.208997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.391629 (E_RNA)
where:
Base-Base interactions energy: -204.775
where: short stacking energy: -73.597
Base-Backbone interact. energy: 0.202
local terms energy: -108.819032
where:
bonds (distance) C4'-P energy: -15.816
bonds (distance) P-C4' energy: -27.721
flat angles C4'-P-C4' energy: -23.039
flat angles P-C4'-P energy: -20.345
tors. eta vs tors. theta energy: -21.898
Dist. restrs. and SS energy: 0.183 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -434.795199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.795199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.906576 (E_RNA)
where:
Base-Base interactions energy: -281.648
where: short stacking energy: -113.163
Base-Backbone interact. energy: -0.473
local terms energy: -152.785968
where:
bonds (distance) C4'-P energy: -31.816
bonds (distance) P-C4' energy: -29.838
flat angles C4'-P-C4' energy: -32.585
flat angles P-C4'-P energy: -24.991
tors. eta vs tors. theta energy: -33.555
Dist. restrs. and SS energy: 0.111 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -418.967547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.967547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.238733 (E_RNA)
where:
Base-Base interactions energy: -284.105
where: short stacking energy: -124.748
Base-Backbone interact. energy: -0.415
local terms energy: -134.719241
where:
bonds (distance) C4'-P energy: -30.459
bonds (distance) P-C4' energy: -25.519
flat angles C4'-P-C4' energy: -29.186
flat angles P-C4'-P energy: -17.167
tors. eta vs tors. theta energy: -32.388
Dist. restrs. and SS energy: 0.271 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -404.840518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.840518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.888701 (E_RNA)
where:
Base-Base interactions energy: -275.185
where: short stacking energy: -108.372
Base-Backbone interact. energy: -1.311
local terms energy: -128.392696
where:
bonds (distance) C4'-P energy: -26.291
bonds (distance) P-C4' energy: -26.747
flat angles C4'-P-C4' energy: -29.084
flat angles P-C4'-P energy: -16.362
tors. eta vs tors. theta energy: -29.909
Dist. restrs. and SS energy: 0.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -378.892260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.892260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.901092 (E_RNA)
where:
Base-Base interactions energy: -255.522
where: short stacking energy: -102.061
Base-Backbone interact. energy: -0.189
local terms energy: -123.190354
where:
bonds (distance) C4'-P energy: -26.607
bonds (distance) P-C4' energy: -24.388
flat angles C4'-P-C4' energy: -31.503
flat angles P-C4'-P energy: -14.336
tors. eta vs tors. theta energy: -26.355
Dist. restrs. and SS energy: 0.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -359.864662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.864662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.043360 (E_RNA)
where:
Base-Base interactions energy: -249.282
where: short stacking energy: -95.702
Base-Backbone interact. energy: -0.055
local terms energy: -110.707112
where:
bonds (distance) C4'-P energy: -27.177
bonds (distance) P-C4' energy: -26.913
flat angles C4'-P-C4' energy: -25.023
flat angles P-C4'-P energy: -9.500
tors. eta vs tors. theta energy: -22.094
Dist. restrs. and SS energy: 0.179 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -357.300196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.300196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.908826 (E_RNA)
where:
Base-Base interactions energy: -251.426
where: short stacking energy: -97.961
Base-Backbone interact. energy: -0.387
local terms energy: -106.095720
where:
bonds (distance) C4'-P energy: -20.427
bonds (distance) P-C4' energy: -18.956
flat angles C4'-P-C4' energy: -25.310
flat angles P-C4'-P energy: -19.046
tors. eta vs tors. theta energy: -22.357
Dist. restrs. and SS energy: 0.609 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -375.920475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.920475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.119859 (E_RNA)
where:
Base-Base interactions energy: -268.693
where: short stacking energy: -102.453
Base-Backbone interact. energy: -0.889
local terms energy: -106.537272
where:
bonds (distance) C4'-P energy: -22.488
bonds (distance) P-C4' energy: -20.330
flat angles C4'-P-C4' energy: -22.718
flat angles P-C4'-P energy: -15.237
tors. eta vs tors. theta energy: -25.764
Dist. restrs. and SS energy: 0.199 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -346.685401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.685401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.073510 (E_RNA)
where:
Base-Base interactions energy: -235.669
where: short stacking energy: -95.336
Base-Backbone interact. energy: -1.064
local terms energy: -110.340251
where:
bonds (distance) C4'-P energy: -22.178
bonds (distance) P-C4' energy: -25.822
flat angles C4'-P-C4' energy: -24.215
flat angles P-C4'-P energy: -7.871
tors. eta vs tors. theta energy: -30.254
Dist. restrs. and SS energy: 0.388 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -343.491709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.491709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.507828 (E_RNA)
where:
Base-Base interactions energy: -229.666
where: short stacking energy: -81.324
Base-Backbone interact. energy: -0.501
local terms energy: -113.340650
where:
bonds (distance) C4'-P energy: -23.276
bonds (distance) P-C4' energy: -26.945
flat angles C4'-P-C4' energy: -24.169
flat angles P-C4'-P energy: -16.081
tors. eta vs tors. theta energy: -22.869
Dist. restrs. and SS energy: 0.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -317.622722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.622722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.521864 (E_RNA)
where:
Base-Base interactions energy: -204.066
where: short stacking energy: -91.677
Base-Backbone interact. energy: -0.533
local terms energy: -113.922428
where:
bonds (distance) C4'-P energy: -18.500
bonds (distance) P-C4' energy: -28.121
flat angles C4'-P-C4' energy: -27.799
flat angles P-C4'-P energy: -13.521
tors. eta vs tors. theta energy: -25.982
Dist. restrs. and SS energy: 0.899 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -437.606505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.606505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.767215 (E_RNA)
where:
Base-Base interactions energy: -296.812
where: short stacking energy: -108.565
Base-Backbone interact. energy: -0.301
local terms energy: -140.654187
where:
bonds (distance) C4'-P energy: -30.030
bonds (distance) P-C4' energy: -27.994
flat angles C4'-P-C4' energy: -28.947
flat angles P-C4'-P energy: -17.847
tors. eta vs tors. theta energy: -35.836
Dist. restrs. and SS energy: 0.161 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -409.057291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.057291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.369938 (E_RNA)
where:
Base-Base interactions energy: -282.398
where: short stacking energy: -111.974
Base-Backbone interact. energy: -0.176
local terms energy: -126.795924
where:
bonds (distance) C4'-P energy: -23.809
bonds (distance) P-C4' energy: -21.239
flat angles C4'-P-C4' energy: -28.923
flat angles P-C4'-P energy: -16.401
tors. eta vs tors. theta energy: -36.424
Dist. restrs. and SS energy: 0.313 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -399.772556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.772556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.074967 (E_RNA)
where:
Base-Base interactions energy: -269.491
where: short stacking energy: -106.191
Base-Backbone interact. energy: -0.236
local terms energy: -130.347440
where:
bonds (distance) C4'-P energy: -25.879
bonds (distance) P-C4' energy: -22.904
flat angles C4'-P-C4' energy: -31.352
flat angles P-C4'-P energy: -15.523
tors. eta vs tors. theta energy: -34.688
Dist. restrs. and SS energy: 0.302 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -377.141964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.141964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.721142 (E_RNA)
where:
Base-Base interactions energy: -264.849
where: short stacking energy: -99.266
Base-Backbone interact. energy: 0.716
local terms energy: -113.587747
where:
bonds (distance) C4'-P energy: -23.547
bonds (distance) P-C4' energy: -23.794
flat angles C4'-P-C4' energy: -20.068
flat angles P-C4'-P energy: -21.175
tors. eta vs tors. theta energy: -25.003
Dist. restrs. and SS energy: 0.579 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -352.686476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.686476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.859919 (E_RNA)
where:
Base-Base interactions energy: -245.590
where: short stacking energy: -85.161
Base-Backbone interact. energy: -0.486
local terms energy: -106.783495
where:
bonds (distance) C4'-P energy: -23.947
bonds (distance) P-C4' energy: -24.273
flat angles C4'-P-C4' energy: -21.124
flat angles P-C4'-P energy: -15.309
tors. eta vs tors. theta energy: -22.131
Dist. restrs. and SS energy: 0.173 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -377.079528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.079528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.313700 (E_RNA)
where:
Base-Base interactions energy: -251.481
where: short stacking energy: -104.055
Base-Backbone interact. energy: -0.513
local terms energy: -126.319668
where:
bonds (distance) C4'-P energy: -28.488
bonds (distance) P-C4' energy: -24.325
flat angles C4'-P-C4' energy: -28.576
flat angles P-C4'-P energy: -16.817
tors. eta vs tors. theta energy: -28.113
Dist. restrs. and SS energy: 1.234 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -348.785610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.785610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.124126 (E_RNA)
where:
Base-Base interactions energy: -246.231
where: short stacking energy: -97.523
Base-Backbone interact. energy: -1.440
local terms energy: -101.452289
where:
bonds (distance) C4'-P energy: -24.871
bonds (distance) P-C4' energy: -19.551
flat angles C4'-P-C4' energy: -15.359
flat angles P-C4'-P energy: -19.589
tors. eta vs tors. theta energy: -22.082
Dist. restrs. and SS energy: 0.339 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -351.527409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.527409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.050671 (E_RNA)
where:
Base-Base interactions energy: -237.551
where: short stacking energy: -90.067
Base-Backbone interact. energy: -0.245
local terms energy: -114.254469
where:
bonds (distance) C4'-P energy: -22.304
bonds (distance) P-C4' energy: -28.132
flat angles C4'-P-C4' energy: -20.102
flat angles P-C4'-P energy: -16.823
tors. eta vs tors. theta energy: -26.893
Dist. restrs. and SS energy: 0.523 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -325.270093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.270093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.687741 (E_RNA)
where:
Base-Base interactions energy: -222.169
where: short stacking energy: -88.234
Base-Backbone interact. energy: -0.472
local terms energy: -103.046519
where:
bonds (distance) C4'-P energy: -21.046
bonds (distance) P-C4' energy: -26.726
flat angles C4'-P-C4' energy: -24.682
flat angles P-C4'-P energy: -15.463
tors. eta vs tors. theta energy: -15.130
Dist. restrs. and SS energy: 0.418 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -317.378979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.378979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.238565 (E_RNA)
where:
Base-Base interactions energy: -215.165
where: short stacking energy: -72.956
Base-Backbone interact. energy: -0.626
local terms energy: -102.447614
where:
bonds (distance) C4'-P energy: -25.501
bonds (distance) P-C4' energy: -25.773
flat angles C4'-P-C4' energy: -28.476
flat angles P-C4'-P energy: -8.212
tors. eta vs tors. theta energy: -14.486
Dist. restrs. and SS energy: 0.860 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -431.279292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.279292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.462049 (E_RNA)
where:
Base-Base interactions energy: -289.321
where: short stacking energy: -110.382
Base-Backbone interact. energy: -0.326
local terms energy: -141.814119
where:
bonds (distance) C4'-P energy: -33.469
bonds (distance) P-C4' energy: -26.451
flat angles C4'-P-C4' energy: -30.382
flat angles P-C4'-P energy: -19.072
tors. eta vs tors. theta energy: -32.439
Dist. restrs. and SS energy: 0.183 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -414.413550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.413550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.437506 (E_RNA)
where:
Base-Base interactions energy: -292.838
where: short stacking energy: -99.712
Base-Backbone interact. energy: -1.682
local terms energy: -119.917413
where:
bonds (distance) C4'-P energy: -26.957
bonds (distance) P-C4' energy: -21.886
flat angles C4'-P-C4' energy: -28.371
flat angles P-C4'-P energy: -18.109
tors. eta vs tors. theta energy: -24.594
Dist. restrs. and SS energy: 0.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -407.726885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.726885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.983262 (E_RNA)
where:
Base-Base interactions energy: -273.264
where: short stacking energy: -116.053
Base-Backbone interact. energy: -0.302
local terms energy: -134.416671
where:
bonds (distance) C4'-P energy: -26.924
bonds (distance) P-C4' energy: -30.009
flat angles C4'-P-C4' energy: -28.847
flat angles P-C4'-P energy: -16.006
tors. eta vs tors. theta energy: -32.631
Dist. restrs. and SS energy: 0.256 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -388.710716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.710716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.812946 (E_RNA)
where:
Base-Base interactions energy: -252.057
where: short stacking energy: -107.887
Base-Backbone interact. energy: 2.809
local terms energy: -139.564410
where:
bonds (distance) C4'-P energy: -29.561
bonds (distance) P-C4' energy: -24.620
flat angles C4'-P-C4' energy: -31.551
flat angles P-C4'-P energy: -17.210
tors. eta vs tors. theta energy: -36.623
Dist. restrs. and SS energy: 0.102 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -371.073746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.073746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.287510 (E_RNA)
where:
Base-Base interactions energy: -247.553
where: short stacking energy: -98.214
Base-Backbone interact. energy: -1.282
local terms energy: -123.452909
where:
bonds (distance) C4'-P energy: -22.060
bonds (distance) P-C4' energy: -22.017
flat angles C4'-P-C4' energy: -29.904
flat angles P-C4'-P energy: -19.527
tors. eta vs tors. theta energy: -29.944
Dist. restrs. and SS energy: 1.214 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -348.530843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.530843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.940763 (E_RNA)
where:
Base-Base interactions energy: -223.485
where: short stacking energy: -78.702
Base-Backbone interact. energy: -1.058
local terms energy: -124.397742
where:
bonds (distance) C4'-P energy: -22.283
bonds (distance) P-C4' energy: -26.285
flat angles C4'-P-C4' energy: -32.260
flat angles P-C4'-P energy: -18.317
tors. eta vs tors. theta energy: -25.253
Dist. restrs. and SS energy: 0.410 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -339.638254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.638254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.782731 (E_RNA)
where:
Base-Base interactions energy: -226.327
where: short stacking energy: -93.648
Base-Backbone interact. energy: -0.608
local terms energy: -112.847343
where:
bonds (distance) C4'-P energy: -20.037
bonds (distance) P-C4' energy: -26.769
flat angles C4'-P-C4' energy: -23.129
flat angles P-C4'-P energy: -12.523
tors. eta vs tors. theta energy: -30.390
Dist. restrs. and SS energy: 0.144 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -361.332011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.332011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.436200 (E_RNA)
where:
Base-Base interactions energy: -249.178
where: short stacking energy: -100.672
Base-Backbone interact. energy: -0.143
local terms energy: -112.114970
where:
bonds (distance) C4'-P energy: -21.820
bonds (distance) P-C4' energy: -25.389
flat angles C4'-P-C4' energy: -21.758
flat angles P-C4'-P energy: -16.391
tors. eta vs tors. theta energy: -26.756
Dist. restrs. and SS energy: 0.104 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -327.150615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.150615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.732776 (E_RNA)
where:
Base-Base interactions energy: -221.622
where: short stacking energy: -95.610
Base-Backbone interact. energy: -0.742
local terms energy: -105.368506
where:
bonds (distance) C4'-P energy: -18.770
bonds (distance) P-C4' energy: -18.222
flat angles C4'-P-C4' energy: -27.352
flat angles P-C4'-P energy: -18.507
tors. eta vs tors. theta energy: -22.517
Dist. restrs. and SS energy: 0.582 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -301.186881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.186881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.371290 (E_RNA)
where:
Base-Base interactions energy: -209.467
where: short stacking energy: -70.708
Base-Backbone interact. energy: 0.877
local terms energy: -92.780955
where:
bonds (distance) C4'-P energy: -17.982
bonds (distance) P-C4' energy: -28.613
flat angles C4'-P-C4' energy: -17.980
flat angles P-C4'-P energy: -9.174
tors. eta vs tors. theta energy: -19.032
Dist. restrs. and SS energy: 0.184 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -439.504490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.504490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.513941 (E_RNA)
where:
Base-Base interactions energy: -300.522
where: short stacking energy: -120.248
Base-Backbone interact. energy: -0.358
local terms energy: -138.633870
where:
bonds (distance) C4'-P energy: -27.961
bonds (distance) P-C4' energy: -28.101
flat angles C4'-P-C4' energy: -31.263
flat angles P-C4'-P energy: -18.522
tors. eta vs tors. theta energy: -32.788
Dist. restrs. and SS energy: 0.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -419.286268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.286268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.880857 (E_RNA)
where:
Base-Base interactions energy: -281.502
where: short stacking energy: -111.328
Base-Backbone interact. energy: -0.143
local terms energy: -138.236489
where:
bonds (distance) C4'-P energy: -27.821
bonds (distance) P-C4' energy: -29.835
flat angles C4'-P-C4' energy: -28.695
flat angles P-C4'-P energy: -19.890
tors. eta vs tors. theta energy: -31.995
Dist. restrs. and SS energy: 0.595 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -402.984646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.984646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.060416 (E_RNA)
where:
Base-Base interactions energy: -270.178
where: short stacking energy: -121.586
Base-Backbone interact. energy: -2.021
local terms energy: -130.861042
where:
bonds (distance) C4'-P energy: -22.226
bonds (distance) P-C4' energy: -27.919
flat angles C4'-P-C4' energy: -28.276
flat angles P-C4'-P energy: -17.505
tors. eta vs tors. theta energy: -34.935
Dist. restrs. and SS energy: 0.076 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -394.702690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.702690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.008298 (E_RNA)
where:
Base-Base interactions energy: -259.907
where: short stacking energy: -106.529
Base-Backbone interact. energy: -2.074
local terms energy: -133.027224
where:
bonds (distance) C4'-P energy: -23.074
bonds (distance) P-C4' energy: -30.112
flat angles C4'-P-C4' energy: -27.696
flat angles P-C4'-P energy: -20.717
tors. eta vs tors. theta energy: -31.429
Dist. restrs. and SS energy: 0.306 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -368.422155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.422155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.094702 (E_RNA)
where:
Base-Base interactions energy: -241.001
where: short stacking energy: -108.891
Base-Backbone interact. energy: -0.503
local terms energy: -127.590027
where:
bonds (distance) C4'-P energy: -23.535
bonds (distance) P-C4' energy: -24.919
flat angles C4'-P-C4' energy: -28.606
flat angles P-C4'-P energy: -21.420
tors. eta vs tors. theta energy: -29.110
Dist. restrs. and SS energy: 0.673 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -352.043858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.043858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.133950 (E_RNA)
where:
Base-Base interactions energy: -235.255
where: short stacking energy: -90.131
Base-Backbone interact. energy: 1.985
local terms energy: -118.863826
where:
bonds (distance) C4'-P energy: -23.071
bonds (distance) P-C4' energy: -26.680
flat angles C4'-P-C4' energy: -22.602
flat angles P-C4'-P energy: -18.544
tors. eta vs tors. theta energy: -27.967
Dist. restrs. and SS energy: 0.090 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -349.802152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.802152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.889995 (E_RNA)
where:
Base-Base interactions energy: -232.764
where: short stacking energy: -91.582
Base-Backbone interact. energy: -0.677
local terms energy: -116.448572
where:
bonds (distance) C4'-P energy: -23.409
bonds (distance) P-C4' energy: -23.252
flat angles C4'-P-C4' energy: -28.802
flat angles P-C4'-P energy: -13.682
tors. eta vs tors. theta energy: -27.305
Dist. restrs. and SS energy: 0.088 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -339.121667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.121667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.451131 (E_RNA)
where:
Base-Base interactions energy: -225.097
where: short stacking energy: -91.305
Base-Backbone interact. energy: -1.319
local terms energy: -113.035741
where:
bonds (distance) C4'-P energy: -23.530
bonds (distance) P-C4' energy: -23.184
flat angles C4'-P-C4' energy: -28.349
flat angles P-C4'-P energy: -11.183
tors. eta vs tors. theta energy: -26.789
Dist. restrs. and SS energy: 0.329 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -328.710511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.710511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.101704 (E_RNA)
where:
Base-Base interactions energy: -221.721
where: short stacking energy: -92.041
Base-Backbone interact. energy: -0.505
local terms energy: -106.875428
where:
bonds (distance) C4'-P energy: -26.017
bonds (distance) P-C4' energy: -20.039
flat angles C4'-P-C4' energy: -23.354
flat angles P-C4'-P energy: -12.239
tors. eta vs tors. theta energy: -25.226
Dist. restrs. and SS energy: 0.391 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -330.655561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.655561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.939725 (E_RNA)
where:
Base-Base interactions energy: -217.884
where: short stacking energy: -89.670
Base-Backbone interact. energy: 0.220
local terms energy: -113.275542
where:
bonds (distance) C4'-P energy: -23.904
bonds (distance) P-C4' energy: -23.360
flat angles C4'-P-C4' energy: -28.305
flat angles P-C4'-P energy: -19.848
tors. eta vs tors. theta energy: -17.859
Dist. restrs. and SS energy: 0.284 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -454.569080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.569080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.839182 (E_RNA)
where:
Base-Base interactions energy: -322.865
where: short stacking energy: -121.172
Base-Backbone interact. energy: -0.282
local terms energy: -131.692004
where:
bonds (distance) C4'-P energy: -23.666
bonds (distance) P-C4' energy: -29.769
flat angles C4'-P-C4' energy: -31.319
flat angles P-C4'-P energy: -12.779
tors. eta vs tors. theta energy: -34.159
Dist. restrs. and SS energy: 0.270 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -401.697862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.697862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.962609 (E_RNA)
where:
Base-Base interactions energy: -269.862
where: short stacking energy: -118.893
Base-Backbone interact. energy: -0.326
local terms energy: -131.775397
where:
bonds (distance) C4'-P energy: -18.506
bonds (distance) P-C4' energy: -24.992
flat angles C4'-P-C4' energy: -29.119
flat angles P-C4'-P energy: -23.451
tors. eta vs tors. theta energy: -35.706
Dist. restrs. and SS energy: 0.265 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -395.467033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.467033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.892418 (E_RNA)
where:
Base-Base interactions energy: -273.523
where: short stacking energy: -104.828
Base-Backbone interact. energy: -0.551
local terms energy: -121.818379
where:
bonds (distance) C4'-P energy: -22.880
bonds (distance) P-C4' energy: -26.971
flat angles C4'-P-C4' energy: -23.575
flat angles P-C4'-P energy: -18.537
tors. eta vs tors. theta energy: -29.855
Dist. restrs. and SS energy: 0.425 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -389.825496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.825496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.961130 (E_RNA)
where:
Base-Base interactions energy: -259.247
where: short stacking energy: -111.835
Base-Backbone interact. energy: -0.350
local terms energy: -130.363931
where:
bonds (distance) C4'-P energy: -21.167
bonds (distance) P-C4' energy: -24.448
flat angles C4'-P-C4' energy: -30.464
flat angles P-C4'-P energy: -17.524
tors. eta vs tors. theta energy: -36.760
Dist. restrs. and SS energy: 0.136 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -356.867668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.867668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.042957 (E_RNA)
where:
Base-Base interactions energy: -246.479
where: short stacking energy: -106.169
Base-Backbone interact. energy: -0.150
local terms energy: -110.413071
where:
bonds (distance) C4'-P energy: -25.608
bonds (distance) P-C4' energy: -19.930
flat angles C4'-P-C4' energy: -25.393
flat angles P-C4'-P energy: -14.827
tors. eta vs tors. theta energy: -24.655
Dist. restrs. and SS energy: 0.175 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -359.222623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.222623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.546325 (E_RNA)
where:
Base-Base interactions energy: -242.630
where: short stacking energy: -96.360
Base-Backbone interact. energy: -0.037
local terms energy: -116.879107
where:
bonds (distance) C4'-P energy: -27.503
bonds (distance) P-C4' energy: -22.343
flat angles C4'-P-C4' energy: -25.360
flat angles P-C4'-P energy: -15.601
tors. eta vs tors. theta energy: -26.073
Dist. restrs. and SS energy: 0.324 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -361.276636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.276636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.651250 (E_RNA)
where:
Base-Base interactions energy: -245.169
where: short stacking energy: -102.646
Base-Backbone interact. energy: -0.980
local terms energy: -115.502643
where:
bonds (distance) C4'-P energy: -26.197
bonds (distance) P-C4' energy: -18.699
flat angles C4'-P-C4' energy: -23.752
flat angles P-C4'-P energy: -20.433
tors. eta vs tors. theta energy: -26.422
Dist. restrs. and SS energy: 0.375 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -354.811491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.811491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.082574 (E_RNA)
where:
Base-Base interactions energy: -236.468
where: short stacking energy: -97.265
Base-Backbone interact. energy: -2.858
local terms energy: -115.756227
where:
bonds (distance) C4'-P energy: -18.454
bonds (distance) P-C4' energy: -22.816
flat angles C4'-P-C4' energy: -24.802
flat angles P-C4'-P energy: -19.166
tors. eta vs tors. theta energy: -30.518
Dist. restrs. and SS energy: 0.271 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -336.594303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.594303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.686093 (E_RNA)
where:
Base-Base interactions energy: -225.364
where: short stacking energy: -90.724
Base-Backbone interact. energy: -0.524
local terms energy: -110.798152
where:
bonds (distance) C4'-P energy: -21.538
bonds (distance) P-C4' energy: -23.614
flat angles C4'-P-C4' energy: -26.265
flat angles P-C4'-P energy: -12.906
tors. eta vs tors. theta energy: -26.475
Dist. restrs. and SS energy: 0.092 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -307.169541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.169541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.473641 (E_RNA)
where:
Base-Base interactions energy: -220.683
where: short stacking energy: -74.091
Base-Backbone interact. energy: -0.243
local terms energy: -86.547162
where:
bonds (distance) C4'-P energy: -17.382
bonds (distance) P-C4' energy: -23.609
flat angles C4'-P-C4' energy: -22.229
flat angles P-C4'-P energy: -7.908
tors. eta vs tors. theta energy: -15.419
Dist. restrs. and SS energy: 0.304 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -447.627179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.627179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.151530 (E_RNA)
where:
Base-Base interactions energy: -310.248
where: short stacking energy: -123.502
Base-Backbone interact. energy: -0.636
local terms energy: -137.267227
where:
bonds (distance) C4'-P energy: -27.608
bonds (distance) P-C4' energy: -30.586
flat angles C4'-P-C4' energy: -29.530
flat angles P-C4'-P energy: -18.120
tors. eta vs tors. theta energy: -31.422
Dist. restrs. and SS energy: 0.524 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -408.147421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.147421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.390768 (E_RNA)
where:
Base-Base interactions energy: -274.670
where: short stacking energy: -108.293
Base-Backbone interact. energy: -0.292
local terms energy: -133.428362
where:
bonds (distance) C4'-P energy: -21.522
bonds (distance) P-C4' energy: -28.818
flat angles C4'-P-C4' energy: -26.954
flat angles P-C4'-P energy: -22.079
tors. eta vs tors. theta energy: -34.055
Dist. restrs. and SS energy: 0.243 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -405.109524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.109524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.206336 (E_RNA)
where:
Base-Base interactions energy: -274.330
where: short stacking energy: -117.800
Base-Backbone interact. energy: -0.341
local terms energy: -130.535695
where:
bonds (distance) C4'-P energy: -25.278
bonds (distance) P-C4' energy: -24.915
flat angles C4'-P-C4' energy: -29.490
flat angles P-C4'-P energy: -17.561
tors. eta vs tors. theta energy: -33.292
Dist. restrs. and SS energy: 0.097 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -380.964452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.964452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.353741 (E_RNA)
where:
Base-Base interactions energy: -258.341
where: short stacking energy: -106.909
Base-Backbone interact. energy: -0.480
local terms energy: -122.532120
where:
bonds (distance) C4'-P energy: -19.849
bonds (distance) P-C4' energy: -28.901
flat angles C4'-P-C4' energy: -28.183
flat angles P-C4'-P energy: -17.151
tors. eta vs tors. theta energy: -28.448
Dist. restrs. and SS energy: 0.389 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -380.961841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.961841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.021650 (E_RNA)
where:
Base-Base interactions energy: -250.665
where: short stacking energy: -106.777
Base-Backbone interact. energy: -1.171
local terms energy: -129.185705
where:
bonds (distance) C4'-P energy: -24.411
bonds (distance) P-C4' energy: -29.020
flat angles C4'-P-C4' energy: -28.343
flat angles P-C4'-P energy: -16.404
tors. eta vs tors. theta energy: -31.008
Dist. restrs. and SS energy: 0.060 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -361.162265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.162265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.407585 (E_RNA)
where:
Base-Base interactions energy: -227.349
where: short stacking energy: -85.897
Base-Backbone interact. energy: -1.834
local terms energy: -132.224749
where:
bonds (distance) C4'-P energy: -29.758
bonds (distance) P-C4' energy: -31.480
flat angles C4'-P-C4' energy: -28.183
flat angles P-C4'-P energy: -14.488
tors. eta vs tors. theta energy: -28.316
Dist. restrs. and SS energy: 0.245 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -345.824812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.824812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.358803 (E_RNA)
where:
Base-Base interactions energy: -224.234
where: short stacking energy: -91.575
Base-Backbone interact. energy: -1.191
local terms energy: -120.933264
where:
bonds (distance) C4'-P energy: -28.320
bonds (distance) P-C4' energy: -24.606
flat angles C4'-P-C4' energy: -23.465
flat angles P-C4'-P energy: -18.717
tors. eta vs tors. theta energy: -25.826
Dist. restrs. and SS energy: 0.534 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -357.754187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.754187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.941020 (E_RNA)
where:
Base-Base interactions energy: -244.741
where: short stacking energy: -90.503
Base-Backbone interact. energy: -3.217
local terms energy: -109.982872
where:
bonds (distance) C4'-P energy: -19.600
bonds (distance) P-C4' energy: -26.917
flat angles C4'-P-C4' energy: -25.539
flat angles P-C4'-P energy: -18.761
tors. eta vs tors. theta energy: -19.167
Dist. restrs. and SS energy: 0.187 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -333.653268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.653268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.938559 (E_RNA)
where:
Base-Base interactions energy: -226.428
where: short stacking energy: -74.161
Base-Backbone interact. energy: -1.261
local terms energy: -106.249888
where:
bonds (distance) C4'-P energy: -25.453
bonds (distance) P-C4' energy: -17.530
flat angles C4'-P-C4' energy: -26.700
flat angles P-C4'-P energy: -14.987
tors. eta vs tors. theta energy: -21.580
Dist. restrs. and SS energy: 0.285 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -307.468427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.468427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.518525 (E_RNA)
where:
Base-Base interactions energy: -203.017
where: short stacking energy: -72.666
Base-Backbone interact. energy: 0.938
local terms energy: -105.438880
where:
bonds (distance) C4'-P energy: -20.098
bonds (distance) P-C4' energy: -23.859
flat angles C4'-P-C4' energy: -29.792
flat angles P-C4'-P energy: -17.168
tors. eta vs tors. theta energy: -14.521
Dist. restrs. and SS energy: 0.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -448.570655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.570655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.111383 (E_RNA)
where:
Base-Base interactions energy: -316.520
where: short stacking energy: -119.029
Base-Backbone interact. energy: -0.406
local terms energy: -132.185242
where:
bonds (distance) C4'-P energy: -23.751
bonds (distance) P-C4' energy: -27.351
flat angles C4'-P-C4' energy: -27.583
flat angles P-C4'-P energy: -17.920
tors. eta vs tors. theta energy: -35.579
Dist. restrs. and SS energy: 0.541 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -407.639703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.639703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.753148 (E_RNA)
where:
Base-Base interactions energy: -275.442
where: short stacking energy: -101.997
Base-Backbone interact. energy: 0.102
local terms energy: -132.413830
where:
bonds (distance) C4'-P energy: -24.909
bonds (distance) P-C4' energy: -27.547
flat angles C4'-P-C4' energy: -26.942
flat angles P-C4'-P energy: -22.644
tors. eta vs tors. theta energy: -30.372
Dist. restrs. and SS energy: 0.113 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -386.510852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.510852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.689906 (E_RNA)
where:
Base-Base interactions energy: -258.802
where: short stacking energy: -108.460
Base-Backbone interact. energy: -0.284
local terms energy: -127.603988
where:
bonds (distance) C4'-P energy: -23.374
bonds (distance) P-C4' energy: -27.456
flat angles C4'-P-C4' energy: -29.998
flat angles P-C4'-P energy: -12.852
tors. eta vs tors. theta energy: -33.925
Dist. restrs. and SS energy: 0.179 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -380.053436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.053436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.321145 (E_RNA)
where:
Base-Base interactions energy: -254.990
where: short stacking energy: -116.043
Base-Backbone interact. energy: -0.064
local terms energy: -125.266779
where:
bonds (distance) C4'-P energy: -23.981
bonds (distance) P-C4' energy: -20.942
flat angles C4'-P-C4' energy: -31.352
flat angles P-C4'-P energy: -15.341
tors. eta vs tors. theta energy: -33.650
Dist. restrs. and SS energy: 0.268 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -369.957996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.957996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.278151 (E_RNA)
where:
Base-Base interactions energy: -255.477
where: short stacking energy: -99.269
Base-Backbone interact. energy: -0.202
local terms energy: -114.598601
where:
bonds (distance) C4'-P energy: -21.956
bonds (distance) P-C4' energy: -26.130
flat angles C4'-P-C4' energy: -26.825
flat angles P-C4'-P energy: -11.074
tors. eta vs tors. theta energy: -28.614
Dist. restrs. and SS energy: 0.320 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -371.548293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.548293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.744609 (E_RNA)
where:
Base-Base interactions energy: -255.528
where: short stacking energy: -95.371
Base-Backbone interact. energy: -0.333
local terms energy: -115.883188
where:
bonds (distance) C4'-P energy: -21.805
bonds (distance) P-C4' energy: -23.787
flat angles C4'-P-C4' energy: -23.735
flat angles P-C4'-P energy: -23.918
tors. eta vs tors. theta energy: -22.638
Dist. restrs. and SS energy: 0.196 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -340.394274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.394274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.800151 (E_RNA)
where:
Base-Base interactions energy: -230.914
where: short stacking energy: -97.359
Base-Backbone interact. energy: -0.541
local terms energy: -109.344802
where:
bonds (distance) C4'-P energy: -23.945
bonds (distance) P-C4' energy: -22.161
flat angles C4'-P-C4' energy: -27.429
flat angles P-C4'-P energy: -8.039
tors. eta vs tors. theta energy: -27.771
Dist. restrs. and SS energy: 0.406 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -332.043950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.043950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.261286 (E_RNA)
where:
Base-Base interactions energy: -218.939
where: short stacking energy: -83.011
Base-Backbone interact. energy: -0.096
local terms energy: -113.226451
where:
bonds (distance) C4'-P energy: -24.143
bonds (distance) P-C4' energy: -30.127
flat angles C4'-P-C4' energy: -25.916
flat angles P-C4'-P energy: -14.571
tors. eta vs tors. theta energy: -18.470
Dist. restrs. and SS energy: 0.217 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -326.380089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.380089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.628495 (E_RNA)
where:
Base-Base interactions energy: -233.161
where: short stacking energy: -81.059
Base-Backbone interact. energy: -0.267
local terms energy: -93.200950
where:
bonds (distance) C4'-P energy: -19.795
bonds (distance) P-C4' energy: -24.537
flat angles C4'-P-C4' energy: -23.111
flat angles P-C4'-P energy: -12.188
tors. eta vs tors. theta energy: -13.571
Dist. restrs. and SS energy: 0.248 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -321.425161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.425161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.038614 (E_RNA)
where:
Base-Base interactions energy: -209.554
where: short stacking energy: -66.070
Base-Backbone interact. energy: -0.286
local terms energy: -112.198498
where:
bonds (distance) C4'-P energy: -26.532
bonds (distance) P-C4' energy: -18.308
flat angles C4'-P-C4' energy: -28.949
flat angles P-C4'-P energy: -17.839
tors. eta vs tors. theta energy: -20.570
Dist. restrs. and SS energy: 0.613 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -448.574668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.574668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.682278 (E_RNA)
where:
Base-Base interactions energy: -322.237
where: short stacking energy: -122.935
Base-Backbone interact. energy: 0.222
local terms energy: -126.666915
where:
bonds (distance) C4'-P energy: -26.784
bonds (distance) P-C4' energy: -26.500
flat angles C4'-P-C4' energy: -28.001
flat angles P-C4'-P energy: -16.748
tors. eta vs tors. theta energy: -28.635
Dist. restrs. and SS energy: 0.108 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -404.296371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.296371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.355768 (E_RNA)
where:
Base-Base interactions energy: -277.188
where: short stacking energy: -109.069
Base-Backbone interact. energy: -0.616
local terms energy: -126.552382
where:
bonds (distance) C4'-P energy: -26.048
bonds (distance) P-C4' energy: -27.447
flat angles C4'-P-C4' energy: -29.527
flat angles P-C4'-P energy: -11.467
tors. eta vs tors. theta energy: -32.063
Dist. restrs. and SS energy: 0.059 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -385.882367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.882367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.992288 (E_RNA)
where:
Base-Base interactions energy: -257.256
where: short stacking energy: -111.911
Base-Backbone interact. energy: 2.735
local terms energy: -131.471461
where:
bonds (distance) C4'-P energy: -24.036
bonds (distance) P-C4' energy: -23.588
flat angles C4'-P-C4' energy: -29.311
flat angles P-C4'-P energy: -20.432
tors. eta vs tors. theta energy: -34.104
Dist. restrs. and SS energy: 0.110 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -370.934434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.934434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.646440 (E_RNA)
where:
Base-Base interactions energy: -245.665
where: short stacking energy: -95.723
Base-Backbone interact. energy: -0.868
local terms energy: -125.113801
where:
bonds (distance) C4'-P energy: -29.747
bonds (distance) P-C4' energy: -26.513
flat angles C4'-P-C4' energy: -26.083
flat angles P-C4'-P energy: -20.423
tors. eta vs tors. theta energy: -22.348
Dist. restrs. and SS energy: 0.712 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -376.322143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.322143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.622831 (E_RNA)
where:
Base-Base interactions energy: -245.630
where: short stacking energy: -105.796
Base-Backbone interact. energy: -0.316
local terms energy: -130.676972
where:
bonds (distance) C4'-P energy: -23.837
bonds (distance) P-C4' energy: -25.015
flat angles C4'-P-C4' energy: -24.844
flat angles P-C4'-P energy: -22.383
tors. eta vs tors. theta energy: -34.599
Dist. restrs. and SS energy: 0.301 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -371.449839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.449839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.632853 (E_RNA)
where:
Base-Base interactions energy: -251.509
where: short stacking energy: -100.675
Base-Backbone interact. energy: 0.229
local terms energy: -120.352469
where:
bonds (distance) C4'-P energy: -16.027
bonds (distance) P-C4' energy: -24.852
flat angles C4'-P-C4' energy: -29.018
flat angles P-C4'-P energy: -19.365
tors. eta vs tors. theta energy: -31.091
Dist. restrs. and SS energy: 0.183 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -334.236495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.236495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.326795 (E_RNA)
where:
Base-Base interactions energy: -223.519
where: short stacking energy: -85.671
Base-Backbone interact. energy: 1.065
local terms energy: -111.872168
where:
bonds (distance) C4'-P energy: -19.442
bonds (distance) P-C4' energy: -24.749
flat angles C4'-P-C4' energy: -26.121
flat angles P-C4'-P energy: -18.874
tors. eta vs tors. theta energy: -22.687
Dist. restrs. and SS energy: 0.090 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -331.219776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.219776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.310478 (E_RNA)
where:
Base-Base interactions energy: -227.441
where: short stacking energy: -90.354
Base-Backbone interact. energy: -0.470
local terms energy: -103.398633
where:
bonds (distance) C4'-P energy: -25.240
bonds (distance) P-C4' energy: -24.531
flat angles C4'-P-C4' energy: -19.904
flat angles P-C4'-P energy: -14.160
tors. eta vs tors. theta energy: -19.563
Dist. restrs. and SS energy: 0.091 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -323.298759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.298759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.605204 (E_RNA)
where:
Base-Base interactions energy: -227.240
where: short stacking energy: -90.177
Base-Backbone interact. energy: -0.348
local terms energy: -96.016878
where:
bonds (distance) C4'-P energy: -25.860
bonds (distance) P-C4' energy: -19.971
flat angles C4'-P-C4' energy: -21.016
flat angles P-C4'-P energy: -7.738
tors. eta vs tors. theta energy: -21.431
Dist. restrs. and SS energy: 0.306 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -313.733515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.733515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.953956 (E_RNA)
where:
Base-Base interactions energy: -205.535
where: short stacking energy: -79.839
Base-Backbone interact. energy: -0.585
local terms energy: -107.833441
where:
bonds (distance) C4'-P energy: -17.157
bonds (distance) P-C4' energy: -25.825
flat angles C4'-P-C4' energy: -21.834
flat angles P-C4'-P energy: -18.746
tors. eta vs tors. theta energy: -24.271
Dist. restrs. and SS energy: 0.220 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -442.257690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.257690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.801300 (E_RNA)
where:
Base-Base interactions energy: -306.993
where: short stacking energy: -115.928
Base-Backbone interact. energy: -0.383
local terms energy: -135.425073
where:
bonds (distance) C4'-P energy: -28.605
bonds (distance) P-C4' energy: -23.035
flat angles C4'-P-C4' energy: -27.865
flat angles P-C4'-P energy: -20.759
tors. eta vs tors. theta energy: -35.160
Dist. restrs. and SS energy: 0.544 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -411.382991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.382991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.598223 (E_RNA)
where:
Base-Base interactions energy: -273.319
where: short stacking energy: -110.772
Base-Backbone interact. energy: 0.633
local terms energy: -138.912896
where:
bonds (distance) C4'-P energy: -27.969
bonds (distance) P-C4' energy: -28.276
flat angles C4'-P-C4' energy: -28.567
flat angles P-C4'-P energy: -16.446
tors. eta vs tors. theta energy: -37.654
Dist. restrs. and SS energy: 0.215 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -382.627188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.627188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.706828 (E_RNA)
where:
Base-Base interactions energy: -269.521
where: short stacking energy: -119.781
Base-Backbone interact. energy: -0.049
local terms energy: -113.136293
where:
bonds (distance) C4'-P energy: -15.033
bonds (distance) P-C4' energy: -26.358
flat angles C4'-P-C4' energy: -20.329
flat angles P-C4'-P energy: -18.361
tors. eta vs tors. theta energy: -33.056
Dist. restrs. and SS energy: 0.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -370.301356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.301356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.727902 (E_RNA)
where:
Base-Base interactions energy: -235.853
where: short stacking energy: -85.432
Base-Backbone interact. energy: -1.573
local terms energy: -133.301805
where:
bonds (distance) C4'-P energy: -30.725
bonds (distance) P-C4' energy: -29.400
flat angles C4'-P-C4' energy: -29.431
flat angles P-C4'-P energy: -20.191
tors. eta vs tors. theta energy: -23.554
Dist. restrs. and SS energy: 0.427 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -388.615866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.615866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.854997 (E_RNA)
where:
Base-Base interactions energy: -259.574
where: short stacking energy: -99.846
Base-Backbone interact. energy: -2.687
local terms energy: -126.594634
where:
bonds (distance) C4'-P energy: -27.989
bonds (distance) P-C4' energy: -24.393
flat angles C4'-P-C4' energy: -30.217
flat angles P-C4'-P energy: -15.909
tors. eta vs tors. theta energy: -28.087
Dist. restrs. and SS energy: 0.239 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -357.133287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.133287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.327233 (E_RNA)
where:
Base-Base interactions energy: -234.166
where: short stacking energy: -95.107
Base-Backbone interact. energy: -0.186
local terms energy: -122.975077
where:
bonds (distance) C4'-P energy: -24.313
bonds (distance) P-C4' energy: -26.380
flat angles C4'-P-C4' energy: -27.684
flat angles P-C4'-P energy: -16.560
tors. eta vs tors. theta energy: -28.038
Dist. restrs. and SS energy: 0.194 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -342.069531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.069531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.383884 (E_RNA)
where:
Base-Base interactions energy: -219.972
where: short stacking energy: -92.811
Base-Backbone interact. energy: -0.288
local terms energy: -122.123150
where:
bonds (distance) C4'-P energy: -23.865
bonds (distance) P-C4' energy: -26.147
flat angles C4'-P-C4' energy: -28.266
flat angles P-C4'-P energy: -20.910
tors. eta vs tors. theta energy: -22.935
Dist. restrs. and SS energy: 0.314 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -332.064104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.064104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.193215 (E_RNA)
where:
Base-Base interactions energy: -227.516
where: short stacking energy: -97.505
Base-Backbone interact. energy: -0.450
local terms energy: -104.226562
where:
bonds (distance) C4'-P energy: -18.130
bonds (distance) P-C4' energy: -25.435
flat angles C4'-P-C4' energy: -22.284
flat angles P-C4'-P energy: -10.740
tors. eta vs tors. theta energy: -27.637
Dist. restrs. and SS energy: 0.129 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -322.041339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.041339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.191729 (E_RNA)
where:
Base-Base interactions energy: -215.563
where: short stacking energy: -72.715
Base-Backbone interact. energy: 0.456
local terms energy: -107.084092
where:
bonds (distance) C4'-P energy: -18.933
bonds (distance) P-C4' energy: -31.511
flat angles C4'-P-C4' energy: -22.172
flat angles P-C4'-P energy: -14.626
tors. eta vs tors. theta energy: -19.842
Dist. restrs. and SS energy: 0.150 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -325.790467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.790467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.157916 (E_RNA)
where:
Base-Base interactions energy: -219.533
where: short stacking energy: -91.234
Base-Backbone interact. energy: 0.008
local terms energy: -106.633056
where:
bonds (distance) C4'-P energy: -20.486
bonds (distance) P-C4' energy: -21.416
flat angles C4'-P-C4' energy: -23.602
flat angles P-C4'-P energy: -17.102
tors. eta vs tors. theta energy: -24.028
Dist. restrs. and SS energy: 0.367 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -448.335807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.335807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.421787 (E_RNA)
where:
Base-Base interactions energy: -308.683
where: short stacking energy: -120.319
Base-Backbone interact. energy: -0.509
local terms energy: -139.229631
where:
bonds (distance) C4'-P energy: -32.698
bonds (distance) P-C4' energy: -28.446
flat angles C4'-P-C4' energy: -29.198
flat angles P-C4'-P energy: -17.300
tors. eta vs tors. theta energy: -31.587
Dist. restrs. and SS energy: 0.086 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -401.582676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.582676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.875531 (E_RNA)
where:
Base-Base interactions energy: -271.240
where: short stacking energy: -110.406
Base-Backbone interact. energy: 0.184
local terms energy: -130.819560
where:
bonds (distance) C4'-P energy: -27.753
bonds (distance) P-C4' energy: -28.993
flat angles C4'-P-C4' energy: -30.261
flat angles P-C4'-P energy: -15.877
tors. eta vs tors. theta energy: -27.936
Dist. restrs. and SS energy: 0.293 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -416.271011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.271011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.380227 (E_RNA)
where:
Base-Base interactions energy: -283.821
where: short stacking energy: -110.938
Base-Backbone interact. energy: -0.345
local terms energy: -132.214635
where:
bonds (distance) C4'-P energy: -26.934
bonds (distance) P-C4' energy: -27.803
flat angles C4'-P-C4' energy: -24.046
flat angles P-C4'-P energy: -20.934
tors. eta vs tors. theta energy: -32.498
Dist. restrs. and SS energy: 0.109 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -380.919251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.919251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.941467 (E_RNA)
where:
Base-Base interactions energy: -247.948
where: short stacking energy: -116.201
Base-Backbone interact. energy: -0.194
local terms energy: -133.799908
where:
bonds (distance) C4'-P energy: -22.420
bonds (distance) P-C4' energy: -28.427
flat angles C4'-P-C4' energy: -30.892
flat angles P-C4'-P energy: -21.405
tors. eta vs tors. theta energy: -30.655
Dist. restrs. and SS energy: 1.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -355.656524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.656524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.915605 (E_RNA)
where:
Base-Base interactions energy: -234.430
where: short stacking energy: -92.805
Base-Backbone interact. energy: -1.655
local terms energy: -119.830532
where:
bonds (distance) C4'-P energy: -28.384
bonds (distance) P-C4' energy: -26.417
flat angles C4'-P-C4' energy: -24.167
flat angles P-C4'-P energy: -18.002
tors. eta vs tors. theta energy: -22.860
Dist. restrs. and SS energy: 0.259 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -360.989254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.989254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.744458 (E_RNA)
where:
Base-Base interactions energy: -248.869
where: short stacking energy: -100.208
Base-Backbone interact. energy: 2.315
local terms energy: -115.190242
where:
bonds (distance) C4'-P energy: -21.386
bonds (distance) P-C4' energy: -28.021
flat angles C4'-P-C4' energy: -24.071
flat angles P-C4'-P energy: -17.000
tors. eta vs tors. theta energy: -24.713
Dist. restrs. and SS energy: 0.755 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -354.059450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.059450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.378786 (E_RNA)
where:
Base-Base interactions energy: -244.377
where: short stacking energy: -92.124
Base-Backbone interact. energy: -1.229
local terms energy: -108.773080
where:
bonds (distance) C4'-P energy: -25.120
bonds (distance) P-C4' energy: -28.656
flat angles C4'-P-C4' energy: -26.306
flat angles P-C4'-P energy: -13.299
tors. eta vs tors. theta energy: -15.391
Dist. restrs. and SS energy: 0.319 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -341.197889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.197889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.580048 (E_RNA)
where:
Base-Base interactions energy: -229.859
where: short stacking energy: -90.463
Base-Backbone interact. energy: -0.040
local terms energy: -111.680592
where:
bonds (distance) C4'-P energy: -18.947
bonds (distance) P-C4' energy: -23.141
flat angles C4'-P-C4' energy: -28.300
flat angles P-C4'-P energy: -13.251
tors. eta vs tors. theta energy: -28.041
Dist. restrs. and SS energy: 0.382 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -335.365004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.365004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.797996 (E_RNA)
where:
Base-Base interactions energy: -225.787
where: short stacking energy: -80.270
Base-Backbone interact. energy: -0.519
local terms energy: -109.491447
where:
bonds (distance) C4'-P energy: -24.403
bonds (distance) P-C4' energy: -20.766
flat angles C4'-P-C4' energy: -28.804
flat angles P-C4'-P energy: -10.477
tors. eta vs tors. theta energy: -25.041
Dist. restrs. and SS energy: 0.433 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -329.531475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.531475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.040456 (E_RNA)
where:
Base-Base interactions energy: -223.995
where: short stacking energy: -89.129
Base-Backbone interact. energy: -0.764
local terms energy: -105.281282
where:
bonds (distance) C4'-P energy: -18.926
bonds (distance) P-C4' energy: -25.023
flat angles C4'-P-C4' energy: -21.022
flat angles P-C4'-P energy: -15.600
tors. eta vs tors. theta energy: -24.711
Dist. restrs. and SS energy: 0.509 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -417.665230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.665230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.731909 (E_RNA)
where:
Base-Base interactions energy: -287.364
where: short stacking energy: -118.112
Base-Backbone interact. energy: 1.463
local terms energy: -131.831504
where:
bonds (distance) C4'-P energy: -23.421
bonds (distance) P-C4' energy: -26.301
flat angles C4'-P-C4' energy: -27.848
flat angles P-C4'-P energy: -19.069
tors. eta vs tors. theta energy: -35.192
Dist. restrs. and SS energy: 0.067 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -441.906334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.906334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.395511 (E_RNA)
where:
Base-Base interactions energy: -301.198
where: short stacking energy: -114.961
Base-Backbone interact. energy: -0.502
local terms energy: -140.695420
where:
bonds (distance) C4'-P energy: -30.419
bonds (distance) P-C4' energy: -31.846
flat angles C4'-P-C4' energy: -27.475
flat angles P-C4'-P energy: -17.658
tors. eta vs tors. theta energy: -33.297
Dist. restrs. and SS energy: 0.489 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -393.138846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.138846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.306974 (E_RNA)
where:
Base-Base interactions energy: -263.438
where: short stacking energy: -112.685
Base-Backbone interact. energy: 0.417
local terms energy: -130.285350
where:
bonds (distance) C4'-P energy: -26.138
bonds (distance) P-C4' energy: -27.563
flat angles C4'-P-C4' energy: -27.370
flat angles P-C4'-P energy: -20.785
tors. eta vs tors. theta energy: -28.429
Dist. restrs. and SS energy: 0.168 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -379.939762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.939762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.193985 (E_RNA)
where:
Base-Base interactions energy: -254.056
where: short stacking energy: -99.749
Base-Backbone interact. energy: -0.102
local terms energy: -126.036028
where:
bonds (distance) C4'-P energy: -26.295
bonds (distance) P-C4' energy: -28.884
flat angles C4'-P-C4' energy: -24.453
flat angles P-C4'-P energy: -15.248
tors. eta vs tors. theta energy: -31.156
Dist. restrs. and SS energy: 0.254 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -367.619089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.619089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.840377 (E_RNA)
where:
Base-Base interactions energy: -240.616
where: short stacking energy: -94.385
Base-Backbone interact. energy: -0.538
local terms energy: -126.685812
where:
bonds (distance) C4'-P energy: -27.280
bonds (distance) P-C4' energy: -28.944
flat angles C4'-P-C4' energy: -30.268
flat angles P-C4'-P energy: -13.164
tors. eta vs tors. theta energy: -27.029
Dist. restrs. and SS energy: 0.221 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -349.739728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.739728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.951023 (E_RNA)
where:
Base-Base interactions energy: -237.155
where: short stacking energy: -91.092
Base-Backbone interact. energy: 0.384
local terms energy: -113.180881
where:
bonds (distance) C4'-P energy: -20.250
bonds (distance) P-C4' energy: -25.747
flat angles C4'-P-C4' energy: -26.877
flat angles P-C4'-P energy: -15.458
tors. eta vs tors. theta energy: -24.849
Dist. restrs. and SS energy: 0.211 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -349.792035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.792035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.844691 (E_RNA)
where:
Base-Base interactions energy: -238.602
where: short stacking energy: -100.216
Base-Backbone interact. energy: 1.470
local terms energy: -112.712408
where:
bonds (distance) C4'-P energy: -17.420
bonds (distance) P-C4' energy: -23.194
flat angles C4'-P-C4' energy: -32.320
flat angles P-C4'-P energy: -14.510
tors. eta vs tors. theta energy: -25.268
Dist. restrs. and SS energy: 0.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -335.923437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.923437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.969536 (E_RNA)
where:
Base-Base interactions energy: -226.287
where: short stacking energy: -84.175
Base-Backbone interact. energy: -0.716
local terms energy: -108.967180
where:
bonds (distance) C4'-P energy: -20.473
bonds (distance) P-C4' energy: -23.830
flat angles C4'-P-C4' energy: -26.644
flat angles P-C4'-P energy: -10.243
tors. eta vs tors. theta energy: -27.777
Dist. restrs. and SS energy: 0.046 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -342.810603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.810603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.396768 (E_RNA)
where:
Base-Base interactions energy: -223.921
where: short stacking energy: -86.288
Base-Backbone interact. energy: -0.623
local terms energy: -118.852210
where:
bonds (distance) C4'-P energy: -28.951
bonds (distance) P-C4' energy: -25.062
flat angles C4'-P-C4' energy: -23.479
flat angles P-C4'-P energy: -16.466
tors. eta vs tors. theta energy: -24.894
Dist. restrs. and SS energy: 0.586 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -329.148925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.148925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.261288 (E_RNA)
where:
Base-Base interactions energy: -226.693
where: short stacking energy: -85.259
Base-Backbone interact. energy: 1.068
local terms energy: -103.636064
where:
bonds (distance) C4'-P energy: -18.876
bonds (distance) P-C4' energy: -20.239
flat angles C4'-P-C4' energy: -24.360
flat angles P-C4'-P energy: -19.314
tors. eta vs tors. theta energy: -20.846
Dist. restrs. and SS energy: 0.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -395.427287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.427287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.840523 (E_RNA)
where:
Base-Base interactions energy: -259.088
where: short stacking energy: -115.793
Base-Backbone interact. energy: -0.030
local terms energy: -136.722101
where:
bonds (distance) C4'-P energy: -26.419
bonds (distance) P-C4' energy: -27.749
flat angles C4'-P-C4' energy: -29.464
flat angles P-C4'-P energy: -20.296
tors. eta vs tors. theta energy: -32.794
Dist. restrs. and SS energy: 0.413 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -443.881047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.881047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.238253 (E_RNA)
where:
Base-Base interactions energy: -314.471
where: short stacking energy: -125.050
Base-Backbone interact. energy: -0.511
local terms energy: -129.255951
where:
bonds (distance) C4'-P energy: -27.364
bonds (distance) P-C4' energy: -26.141
flat angles C4'-P-C4' energy: -25.368
flat angles P-C4'-P energy: -16.558
tors. eta vs tors. theta energy: -33.825
Dist. restrs. and SS energy: 0.357 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -414.725194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.725194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.967350 (E_RNA)
where:
Base-Base interactions energy: -283.791
where: short stacking energy: -121.252
Base-Backbone interact. energy: -0.243
local terms energy: -130.932483
where:
bonds (distance) C4'-P energy: -23.629
bonds (distance) P-C4' energy: -29.629
flat angles C4'-P-C4' energy: -26.648
flat angles P-C4'-P energy: -19.334
tors. eta vs tors. theta energy: -31.692
Dist. restrs. and SS energy: 0.242 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -384.174427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.174427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.574863 (E_RNA)
where:
Base-Base interactions energy: -254.020
where: short stacking energy: -98.191
Base-Backbone interact. energy: -0.196
local terms energy: -130.358808
where:
bonds (distance) C4'-P energy: -20.387
bonds (distance) P-C4' energy: -28.774
flat angles C4'-P-C4' energy: -30.932
flat angles P-C4'-P energy: -15.418
tors. eta vs tors. theta energy: -34.848
Dist. restrs. and SS energy: 0.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -388.939460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.939460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.066213 (E_RNA)
where:
Base-Base interactions energy: -266.176
where: short stacking energy: -100.017
Base-Backbone interact. energy: -2.446
local terms energy: -120.444635
where:
bonds (distance) C4'-P energy: -19.704
bonds (distance) P-C4' energy: -21.595
flat angles C4'-P-C4' energy: -29.166
flat angles P-C4'-P energy: -20.653
tors. eta vs tors. theta energy: -29.326
Dist. restrs. and SS energy: 0.127 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -353.968005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.968005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.317290 (E_RNA)
where:
Base-Base interactions energy: -228.219
where: short stacking energy: -91.722
Base-Backbone interact. energy: 0.145
local terms energy: -126.243696
where:
bonds (distance) C4'-P energy: -25.655
bonds (distance) P-C4' energy: -28.404
flat angles C4'-P-C4' energy: -29.962
flat angles P-C4'-P energy: -15.671
tors. eta vs tors. theta energy: -26.552
Dist. restrs. and SS energy: 0.349 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -335.090486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.090486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.285415 (E_RNA)
where:
Base-Base interactions energy: -239.235
where: short stacking energy: -85.826
Base-Backbone interact. energy: -0.299
local terms energy: -95.751291
where:
bonds (distance) C4'-P energy: -16.392
bonds (distance) P-C4' energy: -18.623
flat angles C4'-P-C4' energy: -27.683
flat angles P-C4'-P energy: -13.743
tors. eta vs tors. theta energy: -19.310
Dist. restrs. and SS energy: 0.195 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -347.073095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.073095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.191120 (E_RNA)
where:
Base-Base interactions energy: -239.393
where: short stacking energy: -96.416
Base-Backbone interact. energy: -0.039
local terms energy: -107.759009
where:
bonds (distance) C4'-P energy: -24.143
bonds (distance) P-C4' energy: -20.071
flat angles C4'-P-C4' energy: -25.257
flat angles P-C4'-P energy: -11.603
tors. eta vs tors. theta energy: -26.684
Dist. restrs. and SS energy: 0.118 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -341.383888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.383888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.691478 (E_RNA)
where:
Base-Base interactions energy: -234.469
where: short stacking energy: -89.887
Base-Backbone interact. energy: -0.190
local terms energy: -107.031917
where:
bonds (distance) C4'-P energy: -22.348
bonds (distance) P-C4' energy: -21.393
flat angles C4'-P-C4' energy: -25.063
flat angles P-C4'-P energy: -16.279
tors. eta vs tors. theta energy: -21.949
Dist. restrs. and SS energy: 0.308 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -317.890541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.890541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.506382 (E_RNA)
where:
Base-Base interactions energy: -211.370
where: short stacking energy: -77.587
Base-Backbone interact. energy: -0.796
local terms energy: -106.339521
where:
bonds (distance) C4'-P energy: -19.923
bonds (distance) P-C4' energy: -26.280
flat angles C4'-P-C4' energy: -24.035
flat angles P-C4'-P energy: -13.126
tors. eta vs tors. theta energy: -22.975
Dist. restrs. and SS energy: 0.616 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -457.166060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.166060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.207191 (E_RNA)
where:
Base-Base interactions energy: -312.933
where: short stacking energy: -120.323
Base-Backbone interact. energy: 0.048
local terms energy: -144.322719
where:
bonds (distance) C4'-P energy: -31.925
bonds (distance) P-C4' energy: -29.663
flat angles C4'-P-C4' energy: -30.295
flat angles P-C4'-P energy: -20.577
tors. eta vs tors. theta energy: -31.863
Dist. restrs. and SS energy: 0.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -395.080573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.080573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.256694 (E_RNA)
where:
Base-Base interactions energy: -261.017
where: short stacking energy: -105.961
Base-Backbone interact. energy: -0.115
local terms energy: -134.124385
where:
bonds (distance) C4'-P energy: -30.775
bonds (distance) P-C4' energy: -28.749
flat angles C4'-P-C4' energy: -28.595
flat angles P-C4'-P energy: -14.244
tors. eta vs tors. theta energy: -31.762
Dist. restrs. and SS energy: 0.176 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -377.331377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.331377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.828736 (E_RNA)
where:
Base-Base interactions energy: -257.542
where: short stacking energy: -100.898
Base-Backbone interact. energy: 1.521
local terms energy: -121.808248
where:
bonds (distance) C4'-P energy: -23.160
bonds (distance) P-C4' energy: -26.183
flat angles C4'-P-C4' energy: -25.808
flat angles P-C4'-P energy: -17.912
tors. eta vs tors. theta energy: -28.744
Dist. restrs. and SS energy: 0.497 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -394.344921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.344921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.357278 (E_RNA)
where:
Base-Base interactions energy: -269.410
where: short stacking energy: -101.630
Base-Backbone interact. energy: -1.295
local terms energy: -123.652727
where:
bonds (distance) C4'-P energy: -28.257
bonds (distance) P-C4' energy: -21.143
flat angles C4'-P-C4' energy: -26.739
flat angles P-C4'-P energy: -15.204
tors. eta vs tors. theta energy: -32.310
Dist. restrs. and SS energy: 0.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -388.816918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.816918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.158748 (E_RNA)
where:
Base-Base interactions energy: -267.527
where: short stacking energy: -105.098
Base-Backbone interact. energy: -0.462
local terms energy: -121.169606
where:
bonds (distance) C4'-P energy: -28.009
bonds (distance) P-C4' energy: -24.840
flat angles C4'-P-C4' energy: -20.995
flat angles P-C4'-P energy: -19.110
tors. eta vs tors. theta energy: -28.215
Dist. restrs. and SS energy: 0.342 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -351.002811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.002811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.270442 (E_RNA)
where:
Base-Base interactions energy: -242.209
where: short stacking energy: -87.011
Base-Backbone interact. energy: -0.401
local terms energy: -108.660417
where:
bonds (distance) C4'-P energy: -22.421
bonds (distance) P-C4' energy: -27.142
flat angles C4'-P-C4' energy: -28.378
flat angles P-C4'-P energy: -8.727
tors. eta vs tors. theta energy: -21.993
Dist. restrs. and SS energy: 0.268 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -345.034101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.034101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.155786 (E_RNA)
where:
Base-Base interactions energy: -234.516
where: short stacking energy: -93.163
Base-Backbone interact. energy: -0.461
local terms energy: -110.178642
where:
bonds (distance) C4'-P energy: -24.483
bonds (distance) P-C4' energy: -23.386
flat angles C4'-P-C4' energy: -28.753
flat angles P-C4'-P energy: -9.234
tors. eta vs tors. theta energy: -24.323
Dist. restrs. and SS energy: 0.122 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -334.161521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.161521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.785622 (E_RNA)
where:
Base-Base interactions energy: -232.940
where: short stacking energy: -90.594
Base-Backbone interact. energy: -0.083
local terms energy: -101.762624
where:
bonds (distance) C4'-P energy: -17.432
bonds (distance) P-C4' energy: -21.681
flat angles C4'-P-C4' energy: -20.531
flat angles P-C4'-P energy: -16.571
tors. eta vs tors. theta energy: -25.548
Dist. restrs. and SS energy: 0.624 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -327.479642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.479642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.692309 (E_RNA)
where:
Base-Base interactions energy: -221.869
where: short stacking energy: -84.869
Base-Backbone interact. energy: -0.393
local terms energy: -105.430042
where:
bonds (distance) C4'-P energy: -18.992
bonds (distance) P-C4' energy: -23.060
flat angles C4'-P-C4' energy: -25.709
flat angles P-C4'-P energy: -12.404
tors. eta vs tors. theta energy: -25.265
Dist. restrs. and SS energy: 0.213 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -307.530585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.530585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.786282 (E_RNA)
where:
Base-Base interactions energy: -212.163
where: short stacking energy: -79.374
Base-Backbone interact. energy: -0.703
local terms energy: -94.920893
where:
bonds (distance) C4'-P energy: -21.567
bonds (distance) P-C4' energy: -26.033
flat angles C4'-P-C4' energy: -26.639
flat angles P-C4'-P energy: -9.274
tors. eta vs tors. theta energy: -11.407
Dist. restrs. and SS energy: 0.256 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -441.197941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.197941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.265851 (E_RNA)
where:
Base-Base interactions energy: -310.989
where: short stacking energy: -120.655
Base-Backbone interact. energy: -0.348
local terms energy: -129.929251
where:
bonds (distance) C4'-P energy: -26.039
bonds (distance) P-C4' energy: -29.448
flat angles C4'-P-C4' energy: -28.517
flat angles P-C4'-P energy: -16.597
tors. eta vs tors. theta energy: -29.327
Dist. restrs. and SS energy: 0.068 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -405.582873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.582873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.647933 (E_RNA)
where:
Base-Base interactions energy: -270.395
where: short stacking energy: -116.535
Base-Backbone interact. energy: 1.854
local terms energy: -137.106305
where:
bonds (distance) C4'-P energy: -24.854
bonds (distance) P-C4' energy: -30.675
flat angles C4'-P-C4' energy: -31.850
flat angles P-C4'-P energy: -15.253
tors. eta vs tors. theta energy: -34.474
Dist. restrs. and SS energy: 0.065 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -367.798104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.798104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.265209 (E_RNA)
where:
Base-Base interactions energy: -247.032
where: short stacking energy: -90.451
Base-Backbone interact. energy: -0.655
local terms energy: -120.578138
where:
bonds (distance) C4'-P energy: -27.126
bonds (distance) P-C4' energy: -23.046
flat angles C4'-P-C4' energy: -27.263
flat angles P-C4'-P energy: -19.189
tors. eta vs tors. theta energy: -23.954
Dist. restrs. and SS energy: 0.467 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -393.291873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.291873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.391203 (E_RNA)
where:
Base-Base interactions energy: -270.633
where: short stacking energy: -104.346
Base-Backbone interact. energy: -1.363
local terms energy: -121.395603
where:
bonds (distance) C4'-P energy: -19.716
bonds (distance) P-C4' energy: -28.318
flat angles C4'-P-C4' energy: -31.813
flat angles P-C4'-P energy: -10.495
tors. eta vs tors. theta energy: -31.054
Dist. restrs. and SS energy: 0.099 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -392.196950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.196950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.777558 (E_RNA)
where:
Base-Base interactions energy: -264.759
where: short stacking energy: -103.971
Base-Backbone interact. energy: -0.895
local terms energy: -127.124066
where:
bonds (distance) C4'-P energy: -23.794
bonds (distance) P-C4' energy: -23.682
flat angles C4'-P-C4' energy: -28.814
flat angles P-C4'-P energy: -20.516
tors. eta vs tors. theta energy: -30.318
Dist. restrs. and SS energy: 0.581 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -361.775715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.775715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.093765 (E_RNA)
where:
Base-Base interactions energy: -246.952
where: short stacking energy: -110.102
Base-Backbone interact. energy: -0.769
local terms energy: -114.372939
where:
bonds (distance) C4'-P energy: -16.839
bonds (distance) P-C4' energy: -30.281
flat angles C4'-P-C4' energy: -25.538
flat angles P-C4'-P energy: -9.364
tors. eta vs tors. theta energy: -32.351
Dist. restrs. and SS energy: 0.318 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -341.933370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.933370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.462627 (E_RNA)
where:
Base-Base interactions energy: -224.480
where: short stacking energy: -89.173
Base-Backbone interact. energy: -0.419
local terms energy: -117.563518
where:
bonds (distance) C4'-P energy: -19.714
bonds (distance) P-C4' energy: -22.040
flat angles C4'-P-C4' energy: -26.942
flat angles P-C4'-P energy: -23.884
tors. eta vs tors. theta energy: -24.983
Dist. restrs. and SS energy: 0.529 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -318.051071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.051071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.608059 (E_RNA)
where:
Base-Base interactions energy: -215.431
where: short stacking energy: -80.959
Base-Backbone interact. energy: -0.119
local terms energy: -106.057452
where:
bonds (distance) C4'-P energy: -19.260
bonds (distance) P-C4' energy: -25.595
flat angles C4'-P-C4' energy: -23.220
flat angles P-C4'-P energy: -11.531
tors. eta vs tors. theta energy: -26.451
Dist. restrs. and SS energy: 3.557 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -321.020175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.020175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.315057 (E_RNA)
where:
Base-Base interactions energy: -217.301
where: short stacking energy: -89.114
Base-Backbone interact. energy: -0.557
local terms energy: -103.457278
where:
bonds (distance) C4'-P energy: -16.756
bonds (distance) P-C4' energy: -24.366
flat angles C4'-P-C4' energy: -27.503
flat angles P-C4'-P energy: -15.848
tors. eta vs tors. theta energy: -18.984
Dist. restrs. and SS energy: 0.295 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -319.212294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.212294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.743188 (E_RNA)
where:
Base-Base interactions energy: -209.633
where: short stacking energy: -85.604
Base-Backbone interact. energy: -0.356
local terms energy: -109.754195
where:
bonds (distance) C4'-P energy: -18.652
bonds (distance) P-C4' energy: -28.277
flat angles C4'-P-C4' energy: -25.918
flat angles P-C4'-P energy: -16.933
tors. eta vs tors. theta energy: -19.975
Dist. restrs. and SS energy: 0.531 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -444.249898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.249898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.537768 (E_RNA)
where:
Base-Base interactions energy: -304.240
where: short stacking energy: -116.172
Base-Backbone interact. energy: -0.135
local terms energy: -140.163316
where:
bonds (distance) C4'-P energy: -23.816
bonds (distance) P-C4' energy: -28.073
flat angles C4'-P-C4' energy: -30.120
flat angles P-C4'-P energy: -22.435
tors. eta vs tors. theta energy: -35.720
Dist. restrs. and SS energy: 0.288 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -390.754976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.754976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.888501 (E_RNA)
where:
Base-Base interactions energy: -263.220
where: short stacking energy: -109.223
Base-Backbone interact. energy: -0.225
local terms energy: -127.443376
where:
bonds (distance) C4'-P energy: -22.320
bonds (distance) P-C4' energy: -28.085
flat angles C4'-P-C4' energy: -32.475
flat angles P-C4'-P energy: -17.235
tors. eta vs tors. theta energy: -27.328
Dist. restrs. and SS energy: 0.134 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -408.522410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.522410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.594672 (E_RNA)
where:
Base-Base interactions energy: -282.565
where: short stacking energy: -110.454
Base-Backbone interact. energy: -0.141
local terms energy: -125.888501
where:
bonds (distance) C4'-P energy: -24.724
bonds (distance) P-C4' energy: -25.798
flat angles C4'-P-C4' energy: -29.298
flat angles P-C4'-P energy: -15.541
tors. eta vs tors. theta energy: -30.528
Dist. restrs. and SS energy: 0.072 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -373.916010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.916010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.086787 (E_RNA)
where:
Base-Base interactions energy: -249.877
where: short stacking energy: -104.214
Base-Backbone interact. energy: -0.245
local terms energy: -123.963979
where:
bonds (distance) C4'-P energy: -26.046
bonds (distance) P-C4' energy: -27.889
flat angles C4'-P-C4' energy: -25.304
flat angles P-C4'-P energy: -15.969
tors. eta vs tors. theta energy: -28.756
Dist. restrs. and SS energy: 0.171 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -405.135188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.135188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.362886 (E_RNA)
where:
Base-Base interactions energy: -274.635
where: short stacking energy: -107.280
Base-Backbone interact. energy: -0.274
local terms energy: -130.453834
where:
bonds (distance) C4'-P energy: -20.188
bonds (distance) P-C4' energy: -29.376
flat angles C4'-P-C4' energy: -29.072
flat angles P-C4'-P energy: -18.364
tors. eta vs tors. theta energy: -33.454
Dist. restrs. and SS energy: 0.228 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -361.338586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.338586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.364596 (E_RNA)
where:
Base-Base interactions energy: -232.221
where: short stacking energy: -93.641
Base-Backbone interact. energy: -0.172
local terms energy: -128.971358
where:
bonds (distance) C4'-P energy: -26.294
bonds (distance) P-C4' energy: -26.797
flat angles C4'-P-C4' energy: -30.538
flat angles P-C4'-P energy: -18.028
tors. eta vs tors. theta energy: -27.314
Dist. restrs. and SS energy: 0.026 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -356.503006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.503006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.073321 (E_RNA)
where:
Base-Base interactions energy: -236.307
where: short stacking energy: -100.404
Base-Backbone interact. energy: -0.129
local terms energy: -120.637554
where:
bonds (distance) C4'-P energy: -26.390
bonds (distance) P-C4' energy: -24.583
flat angles C4'-P-C4' energy: -21.128
flat angles P-C4'-P energy: -20.785
tors. eta vs tors. theta energy: -27.751
Dist. restrs. and SS energy: 0.570 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -346.153521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.153521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.264288 (E_RNA)
where:
Base-Base interactions energy: -238.369
where: short stacking energy: -98.855
Base-Backbone interact. energy: -0.340
local terms energy: -110.555088
where:
bonds (distance) C4'-P energy: -21.526
bonds (distance) P-C4' energy: -17.623
flat angles C4'-P-C4' energy: -22.833
flat angles P-C4'-P energy: -18.065
tors. eta vs tors. theta energy: -30.509
Dist. restrs. and SS energy: 3.111 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -324.117597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.117597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.241948 (E_RNA)
where:
Base-Base interactions energy: -216.923
where: short stacking energy: -90.114
Base-Backbone interact. energy: -0.050
local terms energy: -107.268700
where:
bonds (distance) C4'-P energy: -16.446
bonds (distance) P-C4' energy: -24.277
flat angles C4'-P-C4' energy: -22.965
flat angles P-C4'-P energy: -17.067
tors. eta vs tors. theta energy: -26.514
Dist. restrs. and SS energy: 0.124 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -299.662230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.662230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.899361 (E_RNA)
where:
Base-Base interactions energy: -207.640
where: short stacking energy: -80.922
Base-Backbone interact. energy: -1.532
local terms energy: -91.727068
where:
bonds (distance) C4'-P energy: -15.333
bonds (distance) P-C4' energy: -18.219
flat angles C4'-P-C4' energy: -24.412
flat angles P-C4'-P energy: -15.226
tors. eta vs tors. theta energy: -18.538
Dist. restrs. and SS energy: 1.237 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -445.120117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.120117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.245777 (E_RNA)
where:
Base-Base interactions energy: -309.261
where: short stacking energy: -118.073
Base-Backbone interact. energy: 0.985
local terms energy: -136.969047
where:
bonds (distance) C4'-P energy: -27.268
bonds (distance) P-C4' energy: -31.378
flat angles C4'-P-C4' energy: -29.163
flat angles P-C4'-P energy: -19.363
tors. eta vs tors. theta energy: -29.798
Dist. restrs. and SS energy: 0.126 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -411.242294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.242294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.642140 (E_RNA)
where:
Base-Base interactions energy: -276.839
where: short stacking energy: -107.123
Base-Backbone interact. energy: -0.467
local terms energy: -134.336665
where:
bonds (distance) C4'-P energy: -25.528
bonds (distance) P-C4' energy: -27.306
flat angles C4'-P-C4' energy: -32.853
flat angles P-C4'-P energy: -16.370
tors. eta vs tors. theta energy: -32.279
Dist. restrs. and SS energy: 0.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -387.762305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.762305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.942873 (E_RNA)
where:
Base-Base interactions energy: -261.124
where: short stacking energy: -103.476
Base-Backbone interact. energy: -0.298
local terms energy: -126.520798
where:
bonds (distance) C4'-P energy: -23.910
bonds (distance) P-C4' energy: -30.550
flat angles C4'-P-C4' energy: -29.491
flat angles P-C4'-P energy: -13.283
tors. eta vs tors. theta energy: -29.286
Dist. restrs. and SS energy: 0.181 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -392.185585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.185585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.706791 (E_RNA)
where:
Base-Base interactions energy: -273.288
where: short stacking energy: -112.189
Base-Backbone interact. energy: -0.338
local terms energy: -119.080220
where:
bonds (distance) C4'-P energy: -21.355
bonds (distance) P-C4' energy: -27.679
flat angles C4'-P-C4' energy: -25.955
flat angles P-C4'-P energy: -13.424
tors. eta vs tors. theta energy: -30.666
Dist. restrs. and SS energy: 0.521 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -368.610221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.610221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.713292 (E_RNA)
where:
Base-Base interactions energy: -247.999
where: short stacking energy: -98.847
Base-Backbone interact. energy: -0.119
local terms energy: -120.595719
where:
bonds (distance) C4'-P energy: -21.866
bonds (distance) P-C4' energy: -26.894
flat angles C4'-P-C4' energy: -28.463
flat angles P-C4'-P energy: -18.083
tors. eta vs tors. theta energy: -25.289
Dist. restrs. and SS energy: 0.103 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -361.727092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.727092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.834000 (E_RNA)
where:
Base-Base interactions energy: -234.392
where: short stacking energy: -91.529
Base-Backbone interact. energy: -0.944
local terms energy: -126.498454
where:
bonds (distance) C4'-P energy: -24.323
bonds (distance) P-C4' energy: -31.705
flat angles C4'-P-C4' energy: -28.434
flat angles P-C4'-P energy: -17.089
tors. eta vs tors. theta energy: -24.948
Dist. restrs. and SS energy: 0.107 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -338.264797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.264797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.824384 (E_RNA)
where:
Base-Base interactions energy: -233.426
where: short stacking energy: -96.935
Base-Backbone interact. energy: -0.542
local terms energy: -104.856261
where:
bonds (distance) C4'-P energy: -23.600
bonds (distance) P-C4' energy: -25.798
flat angles C4'-P-C4' energy: -14.935
flat angles P-C4'-P energy: -13.204
tors. eta vs tors. theta energy: -27.319
Dist. restrs. and SS energy: 0.560 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -343.825514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.825514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.240678 (E_RNA)
where:
Base-Base interactions energy: -228.658
where: short stacking energy: -84.491
Base-Backbone interact. energy: -0.903
local terms energy: -114.679706
where:
bonds (distance) C4'-P energy: -20.543
bonds (distance) P-C4' energy: -27.424
flat angles C4'-P-C4' energy: -22.961
flat angles P-C4'-P energy: -14.651
tors. eta vs tors. theta energy: -29.100
Dist. restrs. and SS energy: 0.415 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -319.649994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.649994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.424088 (E_RNA)
where:
Base-Base interactions energy: -216.487
where: short stacking energy: -82.082
Base-Backbone interact. energy: -0.794
local terms energy: -108.142473
where:
bonds (distance) C4'-P energy: -27.318
bonds (distance) P-C4' energy: -23.437
flat angles C4'-P-C4' energy: -18.774
flat angles P-C4'-P energy: -14.836
tors. eta vs tors. theta energy: -23.777
Dist. restrs. and SS energy: 5.774 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -325.736383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.736383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.326280 (E_RNA)
where:
Base-Base interactions energy: -222.740
where: short stacking energy: -89.647
Base-Backbone interact. energy: -0.140
local terms energy: -103.446081
where:
bonds (distance) C4'-P energy: -21.655
bonds (distance) P-C4' energy: -19.786
flat angles C4'-P-C4' energy: -21.030
flat angles P-C4'-P energy: -16.499
tors. eta vs tors. theta energy: -24.476
Dist. restrs. and SS energy: 0.590 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -449.203275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.203275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.241726 (E_RNA)
where:
Base-Base interactions energy: -322.392
where: short stacking energy: -127.782
Base-Backbone interact. energy: -0.576
local terms energy: -126.272819
where:
bonds (distance) C4'-P energy: -27.347
bonds (distance) P-C4' energy: -26.670
flat angles C4'-P-C4' energy: -21.732
flat angles P-C4'-P energy: -16.829
tors. eta vs tors. theta energy: -33.695
Dist. restrs. and SS energy: 0.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -423.084389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.084389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.192356 (E_RNA)
where:
Base-Base interactions energy: -288.086
where: short stacking energy: -114.482
Base-Backbone interact. energy: -1.337
local terms energy: -133.769122
where:
bonds (distance) C4'-P energy: -24.995
bonds (distance) P-C4' energy: -27.207
flat angles C4'-P-C4' energy: -25.540
flat angles P-C4'-P energy: -18.022
tors. eta vs tors. theta energy: -38.005
Dist. restrs. and SS energy: 0.108 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -392.504966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.504966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.922022 (E_RNA)
where:
Base-Base interactions energy: -272.232
where: short stacking energy: -116.223
Base-Backbone interact. energy: 3.756
local terms energy: -124.446690
where:
bonds (distance) C4'-P energy: -28.789
bonds (distance) P-C4' energy: -26.451
flat angles C4'-P-C4' energy: -28.241
flat angles P-C4'-P energy: -14.640
tors. eta vs tors. theta energy: -26.326
Dist. restrs. and SS energy: 0.417 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -378.665378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.665378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.164379 (E_RNA)
where:
Base-Base interactions energy: -252.111
where: short stacking energy: -107.258
Base-Backbone interact. energy: -0.100
local terms energy: -126.953344
where:
bonds (distance) C4'-P energy: -27.561
bonds (distance) P-C4' energy: -22.184
flat angles C4'-P-C4' energy: -28.352
flat angles P-C4'-P energy: -14.297
tors. eta vs tors. theta energy: -34.558
Dist. restrs. and SS energy: 0.499 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -376.894932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.894932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.016679 (E_RNA)
where:
Base-Base interactions energy: -248.040
where: short stacking energy: -101.347
Base-Backbone interact. energy: -0.329
local terms energy: -128.647590
where:
bonds (distance) C4'-P energy: -30.638
bonds (distance) P-C4' energy: -28.418
flat angles C4'-P-C4' energy: -27.546
flat angles P-C4'-P energy: -17.246
tors. eta vs tors. theta energy: -24.799
Dist. restrs. and SS energy: 0.122 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -372.564505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.564505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.866397 (E_RNA)
where:
Base-Base interactions energy: -249.217
where: short stacking energy: -107.249
Base-Backbone interact. energy: -0.571
local terms energy: -123.079292
where:
bonds (distance) C4'-P energy: -22.876
bonds (distance) P-C4' energy: -23.496
flat angles C4'-P-C4' energy: -30.704
flat angles P-C4'-P energy: -12.497
tors. eta vs tors. theta energy: -33.506
Dist. restrs. and SS energy: 0.302 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -350.495866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.495866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.535018 (E_RNA)
where:
Base-Base interactions energy: -228.903
where: short stacking energy: -92.536
Base-Backbone interact. energy: -0.592
local terms energy: -121.040059
where:
bonds (distance) C4'-P energy: -29.275
bonds (distance) P-C4' energy: -25.058
flat angles C4'-P-C4' energy: -23.956
flat angles P-C4'-P energy: -20.156
tors. eta vs tors. theta energy: -22.595
Dist. restrs. and SS energy: 0.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -328.466923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.466923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.499073 (E_RNA)
where:
Base-Base interactions energy: -240.539
where: short stacking energy: -90.752
Base-Backbone interact. energy: -0.434
local terms energy: -87.526293
where:
bonds (distance) C4'-P energy: -19.320
bonds (distance) P-C4' energy: -16.208
flat angles C4'-P-C4' energy: -24.905
flat angles P-C4'-P energy: -6.052
tors. eta vs tors. theta energy: -21.041
Dist. restrs. and SS energy: 0.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -334.503858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.503858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.726051 (E_RNA)
where:
Base-Base interactions energy: -230.710
where: short stacking energy: -92.227
Base-Backbone interact. energy: -0.067
local terms energy: -103.948970
where:
bonds (distance) C4'-P energy: -24.648
bonds (distance) P-C4' energy: -21.980
flat angles C4'-P-C4' energy: -19.987
flat angles P-C4'-P energy: -18.079
tors. eta vs tors. theta energy: -19.255
Dist. restrs. and SS energy: 0.222 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -311.443342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.443342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.493927 (E_RNA)
where:
Base-Base interactions energy: -207.936
where: short stacking energy: -69.764
Base-Backbone interact. energy: -0.005
local terms energy: -103.552754
where:
bonds (distance) C4'-P energy: -25.931
bonds (distance) P-C4' energy: -24.777
flat angles C4'-P-C4' energy: -22.909
flat angles P-C4'-P energy: -10.699
tors. eta vs tors. theta energy: -19.237
Dist. restrs. and SS energy: 0.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -439.176583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.176583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.232162 (E_RNA)
where:
Base-Base interactions energy: -309.083
where: short stacking energy: -117.756
Base-Backbone interact. energy: -0.839
local terms energy: -129.310047
where:
bonds (distance) C4'-P energy: -20.773
bonds (distance) P-C4' energy: -27.336
flat angles C4'-P-C4' energy: -31.457
flat angles P-C4'-P energy: -19.210
tors. eta vs tors. theta energy: -30.534
Dist. restrs. and SS energy: 0.056 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -417.527192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.527192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.940153 (E_RNA)
where:
Base-Base interactions energy: -291.363
where: short stacking energy: -120.484
Base-Backbone interact. energy: -1.088
local terms energy: -125.489570
where:
bonds (distance) C4'-P energy: -22.178
bonds (distance) P-C4' energy: -19.101
flat angles C4'-P-C4' energy: -28.533
flat angles P-C4'-P energy: -19.824
tors. eta vs tors. theta energy: -35.853
Dist. restrs. and SS energy: 0.413 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -415.223551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.223551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.266419 (E_RNA)
where:
Base-Base interactions energy: -279.624
where: short stacking energy: -112.553
Base-Backbone interact. energy: -1.725
local terms energy: -133.917358
where:
bonds (distance) C4'-P energy: -28.133
bonds (distance) P-C4' energy: -26.437
flat angles C4'-P-C4' energy: -27.480
flat angles P-C4'-P energy: -18.853
tors. eta vs tors. theta energy: -33.014
Dist. restrs. and SS energy: 0.043 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -386.468436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.468436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.670088 (E_RNA)
where:
Base-Base interactions energy: -262.233
where: short stacking energy: -111.517
Base-Backbone interact. energy: 2.259
local terms energy: -126.696213
where:
bonds (distance) C4'-P energy: -27.620
bonds (distance) P-C4' energy: -25.137
flat angles C4'-P-C4' energy: -28.640
flat angles P-C4'-P energy: -11.736
tors. eta vs tors. theta energy: -33.563
Dist. restrs. and SS energy: 0.202 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -363.912364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.912364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.661927 (E_RNA)
where:
Base-Base interactions energy: -241.304
where: short stacking energy: -97.304
Base-Backbone interact. energy: -0.155
local terms energy: -123.203180
where:
bonds (distance) C4'-P energy: -25.299
bonds (distance) P-C4' energy: -24.421
flat angles C4'-P-C4' energy: -26.477
flat angles P-C4'-P energy: -20.711
tors. eta vs tors. theta energy: -26.295
Dist. restrs. and SS energy: 0.750 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -368.496384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.496384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.767060 (E_RNA)
where:
Base-Base interactions energy: -252.991
where: short stacking energy: -94.548
Base-Backbone interact. energy: -0.072
local terms energy: -115.704844
where:
bonds (distance) C4'-P energy: -22.334
bonds (distance) P-C4' energy: -24.377
flat angles C4'-P-C4' energy: -27.381
flat angles P-C4'-P energy: -13.702
tors. eta vs tors. theta energy: -27.911
Dist. restrs. and SS energy: 0.271 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -363.519982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.519982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.944145 (E_RNA)
where:
Base-Base interactions energy: -253.760
where: short stacking energy: -106.602
Base-Backbone interact. energy: -0.794
local terms energy: -109.389348
where:
bonds (distance) C4'-P energy: -17.770
bonds (distance) P-C4' energy: -25.236
flat angles C4'-P-C4' energy: -24.473
flat angles P-C4'-P energy: -19.413
tors. eta vs tors. theta energy: -22.497
Dist. restrs. and SS energy: 0.424 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -336.285043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.285043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.556742 (E_RNA)
where:
Base-Base interactions energy: -219.892
where: short stacking energy: -80.543
Base-Backbone interact. energy: -0.698
local terms energy: -115.966297
where:
bonds (distance) C4'-P energy: -20.879
bonds (distance) P-C4' energy: -27.185
flat angles C4'-P-C4' energy: -26.222
flat angles P-C4'-P energy: -16.243
tors. eta vs tors. theta energy: -25.437
Dist. restrs. and SS energy: 0.272 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -329.896133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.896133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.415806 (E_RNA)
where:
Base-Base interactions energy: -210.317
where: short stacking energy: -90.878
Base-Backbone interact. energy: -0.069
local terms energy: -120.029818
where:
bonds (distance) C4'-P energy: -29.150
bonds (distance) P-C4' energy: -26.104
flat angles C4'-P-C4' energy: -22.951
flat angles P-C4'-P energy: -18.268
tors. eta vs tors. theta energy: -23.556
Dist. restrs. and SS energy: 0.520 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -293.593682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.593682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.052802 (E_RNA)
where:
Base-Base interactions energy: -193.653
where: short stacking energy: -63.424
Base-Backbone interact. energy: -0.954
local terms energy: -99.445580
where:
bonds (distance) C4'-P energy: -22.144
bonds (distance) P-C4' energy: -23.367
flat angles C4'-P-C4' energy: -20.615
flat angles P-C4'-P energy: -15.165
tors. eta vs tors. theta energy: -18.154
Dist. restrs. and SS energy: 0.459 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -433.518838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.518838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.881277 (E_RNA)
where:
Base-Base interactions energy: -306.649
where: short stacking energy: -108.562
Base-Backbone interact. energy: -0.801
local terms energy: -126.431230
where:
bonds (distance) C4'-P energy: -24.227
bonds (distance) P-C4' energy: -31.383
flat angles C4'-P-C4' energy: -27.645
flat angles P-C4'-P energy: -12.037
tors. eta vs tors. theta energy: -31.139
Dist. restrs. and SS energy: 0.362 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -406.752647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.752647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.319655 (E_RNA)
where:
Base-Base interactions energy: -278.692
where: short stacking energy: -120.546
Base-Backbone interact. energy: 0.738
local terms energy: -129.366389
where:
bonds (distance) C4'-P energy: -21.200
bonds (distance) P-C4' energy: -24.686
flat angles C4'-P-C4' energy: -27.408
flat angles P-C4'-P energy: -22.688
tors. eta vs tors. theta energy: -33.384
Dist. restrs. and SS energy: 0.567 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -382.498273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.498273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.613882 (E_RNA)
where:
Base-Base interactions energy: -258.362
where: short stacking energy: -113.075
Base-Backbone interact. energy: -1.088
local terms energy: -123.164144
where:
bonds (distance) C4'-P energy: -24.105
bonds (distance) P-C4' energy: -27.592
flat angles C4'-P-C4' energy: -26.576
flat angles P-C4'-P energy: -16.475
tors. eta vs tors. theta energy: -28.416
Dist. restrs. and SS energy: 0.116 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -398.467878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.467878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.628164 (E_RNA)
where:
Base-Base interactions energy: -267.685
where: short stacking energy: -107.379
Base-Backbone interact. energy: -0.843
local terms energy: -130.100469
where:
bonds (distance) C4'-P energy: -24.796
bonds (distance) P-C4' energy: -25.583
flat angles C4'-P-C4' energy: -28.776
flat angles P-C4'-P energy: -20.082
tors. eta vs tors. theta energy: -30.864
Dist. restrs. and SS energy: 0.160 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -375.368600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.368600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.567711 (E_RNA)
where:
Base-Base interactions energy: -247.392
where: short stacking energy: -104.608
Base-Backbone interact. energy: 1.367
local terms energy: -129.542700
where:
bonds (distance) C4'-P energy: -27.410
bonds (distance) P-C4' energy: -20.513
flat angles C4'-P-C4' energy: -26.819
flat angles P-C4'-P energy: -23.593
tors. eta vs tors. theta energy: -31.208
Dist. restrs. and SS energy: 0.199 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -361.983272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.983272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.108385 (E_RNA)
where:
Base-Base interactions energy: -230.407
where: short stacking energy: -93.391
Base-Backbone interact. energy: -0.131
local terms energy: -131.571045
where:
bonds (distance) C4'-P energy: -23.829
bonds (distance) P-C4' energy: -27.380
flat angles C4'-P-C4' energy: -24.937
flat angles P-C4'-P energy: -21.222
tors. eta vs tors. theta energy: -34.203
Dist. restrs. and SS energy: 0.125 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -336.779875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.779875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.053556 (E_RNA)
where:
Base-Base interactions energy: -226.550
where: short stacking energy: -87.421
Base-Backbone interact. energy: -0.316
local terms energy: -110.187365
where:
bonds (distance) C4'-P energy: -26.626
bonds (distance) P-C4' energy: -24.439
flat angles C4'-P-C4' energy: -24.409
flat angles P-C4'-P energy: -12.778
tors. eta vs tors. theta energy: -21.935
Dist. restrs. and SS energy: 0.274 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -365.431640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.431640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.465152 (E_RNA)
where:
Base-Base interactions energy: -247.851
where: short stacking energy: -104.986
Base-Backbone interact. energy: -0.004
local terms energy: -117.610608
where:
bonds (distance) C4'-P energy: -15.712
bonds (distance) P-C4' energy: -25.873
flat angles C4'-P-C4' energy: -27.406
flat angles P-C4'-P energy: -17.770
tors. eta vs tors. theta energy: -30.850
Dist. restrs. and SS energy: 0.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -330.966451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.966451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.649084 (E_RNA)
where:
Base-Base interactions energy: -222.652
where: short stacking energy: -87.747
Base-Backbone interact. energy: 0.251
local terms energy: -109.247767
where:
bonds (distance) C4'-P energy: -26.319
bonds (distance) P-C4' energy: -23.174
flat angles C4'-P-C4' energy: -28.235
flat angles P-C4'-P energy: -13.777
tors. eta vs tors. theta energy: -17.742
Dist. restrs. and SS energy: 0.683 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -306.580084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.580084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.778908 (E_RNA)
where:
Base-Base interactions energy: -198.534
where: short stacking energy: -78.623
Base-Backbone interact. energy: -0.477
local terms energy: -107.767408
where:
bonds (distance) C4'-P energy: -22.234
bonds (distance) P-C4' energy: -28.389
flat angles C4'-P-C4' energy: -20.491
flat angles P-C4'-P energy: -17.054
tors. eta vs tors. theta energy: -19.600
Dist. restrs. and SS energy: 0.199 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -442.373296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.373296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.548850 (E_RNA)
where:
Base-Base interactions energy: -305.364
where: short stacking energy: -116.512
Base-Backbone interact. energy: -0.346
local terms energy: -136.838181
where:
bonds (distance) C4'-P energy: -29.114
bonds (distance) P-C4' energy: -22.509
flat angles C4'-P-C4' energy: -30.388
flat angles P-C4'-P energy: -20.181
tors. eta vs tors. theta energy: -34.646
Dist. restrs. and SS energy: 0.176 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -417.272267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.272267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.959061 (E_RNA)
where:
Base-Base interactions energy: -275.892
where: short stacking energy: -113.983
Base-Backbone interact. energy: -0.750
local terms energy: -141.317396
where:
bonds (distance) C4'-P energy: -28.989
bonds (distance) P-C4' energy: -27.076
flat angles C4'-P-C4' energy: -30.612
flat angles P-C4'-P energy: -22.080
tors. eta vs tors. theta energy: -32.561
Dist. restrs. and SS energy: 0.687 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -391.653155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.653155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.686929 (E_RNA)
where:
Base-Base interactions energy: -262.745
where: short stacking energy: -105.780
Base-Backbone interact. energy: -0.398
local terms energy: -128.544349
where:
bonds (distance) C4'-P energy: -26.830
bonds (distance) P-C4' energy: -28.507
flat angles C4'-P-C4' energy: -24.776
flat angles P-C4'-P energy: -19.474
tors. eta vs tors. theta energy: -28.957
Dist. restrs. and SS energy: 0.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -388.432618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.432618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.675903 (E_RNA)
where:
Base-Base interactions energy: -274.144
where: short stacking energy: -107.416
Base-Backbone interact. energy: -0.414
local terms energy: -114.117696
where:
bonds (distance) C4'-P energy: -20.121
bonds (distance) P-C4' energy: -19.684
flat angles C4'-P-C4' energy: -24.085
flat angles P-C4'-P energy: -15.088
tors. eta vs tors. theta energy: -35.139
Dist. restrs. and SS energy: 0.243 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -390.529199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.529199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.595996 (E_RNA)
where:
Base-Base interactions energy: -262.785
where: short stacking energy: -106.812
Base-Backbone interact. energy: -0.677
local terms energy: -127.133847
where:
bonds (distance) C4'-P energy: -26.569
bonds (distance) P-C4' energy: -26.326
flat angles C4'-P-C4' energy: -28.940
flat angles P-C4'-P energy: -12.612
tors. eta vs tors. theta energy: -32.687
Dist. restrs. and SS energy: 0.067 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -347.688272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.688272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.182800 (E_RNA)
where:
Base-Base interactions energy: -226.525
where: short stacking energy: -93.466
Base-Backbone interact. energy: -1.731
local terms energy: -119.927190
where:
bonds (distance) C4'-P energy: -19.671
bonds (distance) P-C4' energy: -26.145
flat angles C4'-P-C4' energy: -28.198
flat angles P-C4'-P energy: -19.297
tors. eta vs tors. theta energy: -26.617
Dist. restrs. and SS energy: 0.495 (S_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: 309
Temperature: 1.200000
Total energy: -343.115956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.115956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.625211 (E_RNA)
where:
Base-Base interactions energy: -224.075
where: short stacking energy: -97.994
Base-Backbone interact. energy: -1.149
local terms energy: -118.401306
where:
bonds (distance) C4'-P energy: -25.502
bonds (distance) P-C4' energy: -27.731
flat angles C4'-P-C4' energy: -23.333
flat angles P-C4'-P energy: -16.857
tors. eta vs tors. theta energy: -24.978
Dist. restrs. and SS energy: 0.509 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -328.212310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.212310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.634155 (E_RNA)
where:
Base-Base interactions energy: -218.563
where: short stacking energy: -88.307
Base-Backbone interact. energy: -0.188
local terms energy: -109.883266
where:
bonds (distance) C4'-P energy: -22.403
bonds (distance) P-C4' energy: -26.028
flat angles C4'-P-C4' energy: -21.427
flat angles P-C4'-P energy: -18.631
tors. eta vs tors. theta energy: -21.393
Dist. restrs. and SS energy: 0.422 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -346.842136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.842136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.216451 (E_RNA)
where:
Base-Base interactions energy: -236.576
where: short stacking energy: -97.498
Base-Backbone interact. energy: -0.071
local terms energy: -110.569720
where:
bonds (distance) C4'-P energy: -26.343
bonds (distance) P-C4' energy: -24.650
flat angles C4'-P-C4' energy: -25.096
flat angles P-C4'-P energy: -9.025
tors. eta vs tors. theta energy: -25.456
Dist. restrs. and SS energy: 0.374 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -325.886338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.886338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.426328 (E_RNA)
where:
Base-Base interactions energy: -216.244
where: short stacking energy: -77.029
Base-Backbone interact. energy: -0.511
local terms energy: -109.670700
where:
bonds (distance) C4'-P energy: -27.362
bonds (distance) P-C4' energy: -26.414
flat angles C4'-P-C4' energy: -24.738
flat angles P-C4'-P energy: -12.158
tors. eta vs tors. theta energy: -18.999
Dist. restrs. and SS energy: 0.540 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -444.588062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.588062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.679931 (E_RNA)
where:
Base-Base interactions energy: -306.824
where: short stacking energy: -113.093
Base-Backbone interact. energy: -0.551
local terms energy: -137.305044
where:
bonds (distance) C4'-P energy: -27.411
bonds (distance) P-C4' energy: -29.496
flat angles C4'-P-C4' energy: -29.540
flat angles P-C4'-P energy: -18.688
tors. eta vs tors. theta energy: -32.170
Dist. restrs. and SS energy: 0.092 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -414.185990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.185990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.430372 (E_RNA)
where:
Base-Base interactions energy: -283.768
where: short stacking energy: -121.909
Base-Backbone interact. energy: -0.373
local terms energy: -130.288781
where:
bonds (distance) C4'-P energy: -29.500
bonds (distance) P-C4' energy: -27.676
flat angles C4'-P-C4' energy: -27.864
flat angles P-C4'-P energy: -9.655
tors. eta vs tors. theta energy: -35.594
Dist. restrs. and SS energy: 0.244 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -382.535986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.535986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.872957 (E_RNA)
where:
Base-Base interactions energy: -262.176
where: short stacking energy: -108.039
Base-Backbone interact. energy: 0.232
local terms energy: -120.928943
where:
bonds (distance) C4'-P energy: -24.477
bonds (distance) P-C4' energy: -29.999
flat angles C4'-P-C4' energy: -21.787
flat angles P-C4'-P energy: -15.285
tors. eta vs tors. theta energy: -29.380
Dist. restrs. and SS energy: 0.337 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -382.507434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.507434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.693521 (E_RNA)
where:
Base-Base interactions energy: -260.682
where: short stacking energy: -102.649
Base-Backbone interact. energy: -0.380
local terms energy: -121.632333
where:
bonds (distance) C4'-P energy: -21.245
bonds (distance) P-C4' energy: -24.696
flat angles C4'-P-C4' energy: -30.709
flat angles P-C4'-P energy: -12.601
tors. eta vs tors. theta energy: -32.382
Dist. restrs. and SS energy: 0.186 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -386.055746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.055746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.465080 (E_RNA)
where:
Base-Base interactions energy: -258.073
where: short stacking energy: -117.556
Base-Backbone interact. energy: -0.557
local terms energy: -127.834320
where:
bonds (distance) C4'-P energy: -25.908
bonds (distance) P-C4' energy: -28.626
flat angles C4'-P-C4' energy: -25.159
flat angles P-C4'-P energy: -15.267
tors. eta vs tors. theta energy: -32.875
Dist. restrs. and SS energy: 0.409 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -358.869322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.869322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.090701 (E_RNA)
where:
Base-Base interactions energy: -226.060
where: short stacking energy: -92.629
Base-Backbone interact. energy: -1.158
local terms energy: -131.871953
where:
bonds (distance) C4'-P energy: -29.841
bonds (distance) P-C4' energy: -22.459
flat angles C4'-P-C4' energy: -30.422
flat angles P-C4'-P energy: -18.310
tors. eta vs tors. theta energy: -30.841
Dist. restrs. and SS energy: 0.221 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -341.125752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.125752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.381409 (E_RNA)
where:
Base-Base interactions energy: -228.980
where: short stacking energy: -88.744
Base-Backbone interact. energy: -0.820
local terms energy: -111.581523
where:
bonds (distance) C4'-P energy: -24.834
bonds (distance) P-C4' energy: -25.336
flat angles C4'-P-C4' energy: -25.796
flat angles P-C4'-P energy: -13.199
tors. eta vs tors. theta energy: -22.417
Dist. restrs. and SS energy: 0.256 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -357.217768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.217768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.805530 (E_RNA)
where:
Base-Base interactions energy: -236.540
where: short stacking energy: -102.371
Base-Backbone interact. energy: -0.320
local terms energy: -120.945139
where:
bonds (distance) C4'-P energy: -26.787
bonds (distance) P-C4' energy: -23.518
flat angles C4'-P-C4' energy: -25.967
flat angles P-C4'-P energy: -12.709
tors. eta vs tors. theta energy: -31.963
Dist. restrs. and SS energy: 0.588 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -319.875684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.875684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.025434 (E_RNA)
where:
Base-Base interactions energy: -214.453
where: short stacking energy: -83.205
Base-Backbone interact. energy: -0.234
local terms energy: -105.338888
where:
bonds (distance) C4'-P energy: -27.269
bonds (distance) P-C4' energy: -20.362
flat angles C4'-P-C4' energy: -28.470
flat angles P-C4'-P energy: -10.642
tors. eta vs tors. theta energy: -18.596
Dist. restrs. and SS energy: 0.150 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -351.892640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.892640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.108284 (E_RNA)
where:
Base-Base interactions energy: -234.278
where: short stacking energy: -79.874
Base-Backbone interact. energy: -0.321
local terms energy: -117.508462
where:
bonds (distance) C4'-P energy: -21.815
bonds (distance) P-C4' energy: -28.306
flat angles C4'-P-C4' energy: -26.935
flat angles P-C4'-P energy: -15.780
tors. eta vs tors. theta energy: -24.672
Dist. restrs. and SS energy: 0.216 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -443.640200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.640200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.091717 (E_RNA)
where:
Base-Base interactions energy: -311.433
where: short stacking energy: -121.922
Base-Backbone interact. energy: -0.625
local terms energy: -132.034217
where:
bonds (distance) C4'-P energy: -24.125
bonds (distance) P-C4' energy: -29.781
flat angles C4'-P-C4' energy: -28.042
flat angles P-C4'-P energy: -19.888
tors. eta vs tors. theta energy: -30.198
Dist. restrs. and SS energy: 0.452 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -392.005693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.005693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.175425 (E_RNA)
where:
Base-Base interactions energy: -264.827
where: short stacking energy: -109.898
Base-Backbone interact. energy: 0.873
local terms energy: -128.220939
where:
bonds (distance) C4'-P energy: -28.941
bonds (distance) P-C4' energy: -30.196
flat angles C4'-P-C4' energy: -32.215
flat angles P-C4'-P energy: -8.623
tors. eta vs tors. theta energy: -28.246
Dist. restrs. and SS energy: 0.170 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -403.719900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.719900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.051078 (E_RNA)
where:
Base-Base interactions energy: -270.104
where: short stacking energy: -108.766
Base-Backbone interact. energy: -1.406
local terms energy: -132.541616
where:
bonds (distance) C4'-P energy: -29.496
bonds (distance) P-C4' energy: -26.138
flat angles C4'-P-C4' energy: -23.725
flat angles P-C4'-P energy: -20.308
tors. eta vs tors. theta energy: -32.875
Dist. restrs. and SS energy: 0.331 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -384.702138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.702138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.719627 (E_RNA)
where:
Base-Base interactions energy: -258.614
where: short stacking energy: -112.463
Base-Backbone interact. energy: -0.537
local terms energy: -126.569233
where:
bonds (distance) C4'-P energy: -29.445
bonds (distance) P-C4' energy: -22.876
flat angles C4'-P-C4' energy: -26.474
flat angles P-C4'-P energy: -18.685
tors. eta vs tors. theta energy: -29.089
Dist. restrs. and SS energy: 1.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -362.578426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.578426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.095525 (E_RNA)
where:
Base-Base interactions energy: -247.091
where: short stacking energy: -107.177
Base-Backbone interact. energy: 0.968
local terms energy: -116.972848
where:
bonds (distance) C4'-P energy: -25.347
bonds (distance) P-C4' energy: -22.422
flat angles C4'-P-C4' energy: -22.905
flat angles P-C4'-P energy: -18.611
tors. eta vs tors. theta energy: -27.689
Dist. restrs. and SS energy: 0.517 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -353.117018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.117018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.326693 (E_RNA)
where:
Base-Base interactions energy: -235.104
where: short stacking energy: -93.786
Base-Backbone interact. energy: -0.658
local terms energy: -117.564183
where:
bonds (distance) C4'-P energy: -20.692
bonds (distance) P-C4' energy: -25.971
flat angles C4'-P-C4' energy: -24.859
flat angles P-C4'-P energy: -14.735
tors. eta vs tors. theta energy: -31.308
Dist. restrs. and SS energy: 0.210 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -341.595716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.595716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.214029 (E_RNA)
where:
Base-Base interactions energy: -223.385
where: short stacking energy: -87.146
Base-Backbone interact. energy: -2.272
local terms energy: -116.556693
where:
bonds (distance) C4'-P energy: -21.608
bonds (distance) P-C4' energy: -25.770
flat angles C4'-P-C4' energy: -24.543
flat angles P-C4'-P energy: -17.982
tors. eta vs tors. theta energy: -26.654
Dist. restrs. and SS energy: 0.618 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -349.291011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.291011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.425652 (E_RNA)
where:
Base-Base interactions energy: -227.852
where: short stacking energy: -91.118
Base-Backbone interact. energy: -0.522
local terms energy: -121.051948
where:
bonds (distance) C4'-P energy: -27.924
bonds (distance) P-C4' energy: -29.957
flat angles C4'-P-C4' energy: -26.188
flat angles P-C4'-P energy: -11.184
tors. eta vs tors. theta energy: -25.800
Dist. restrs. and SS energy: 0.135 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -340.072937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.072937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.402596 (E_RNA)
where:
Base-Base interactions energy: -233.517
where: short stacking energy: -94.324
Base-Backbone interact. energy: -0.278
local terms energy: -106.607729
where:
bonds (distance) C4'-P energy: -19.240
bonds (distance) P-C4' energy: -26.920
flat angles C4'-P-C4' energy: -26.019
flat angles P-C4'-P energy: -13.186
tors. eta vs tors. theta energy: -21.243
Dist. restrs. and SS energy: 0.330 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -326.993361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.993361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.458164 (E_RNA)
where:
Base-Base interactions energy: -228.097
where: short stacking energy: -92.849
Base-Backbone interact. energy: -0.282
local terms energy: -99.079699
where:
bonds (distance) C4'-P energy: -22.910
bonds (distance) P-C4' energy: -17.603
flat angles C4'-P-C4' energy: -20.132
flat angles P-C4'-P energy: -13.500
tors. eta vs tors. theta energy: -24.935
Dist. restrs. and SS energy: 0.465 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -447.434705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.434705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.626438 (E_RNA)
where:
Base-Base interactions energy: -317.156
where: short stacking energy: -118.244
Base-Backbone interact. energy: 1.540
local terms energy: -132.010591
where:
bonds (distance) C4'-P energy: -20.764
bonds (distance) P-C4' energy: -26.895
flat angles C4'-P-C4' energy: -28.736
flat angles P-C4'-P energy: -22.386
tors. eta vs tors. theta energy: -33.230
Dist. restrs. and SS energy: 0.192 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -384.228836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.228836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.344098 (E_RNA)
where:
Base-Base interactions energy: -257.019
where: short stacking energy: -107.183
Base-Backbone interact. energy: 0.017
local terms energy: -127.341976
where:
bonds (distance) C4'-P energy: -25.076
bonds (distance) P-C4' energy: -23.332
flat angles C4'-P-C4' energy: -32.670
flat angles P-C4'-P energy: -18.672
tors. eta vs tors. theta energy: -27.592
Dist. restrs. and SS energy: 0.115 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -402.029476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.029476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.098789 (E_RNA)
where:
Base-Base interactions energy: -279.869
where: short stacking energy: -132.404
Base-Backbone interact. energy: -0.208
local terms energy: -122.021711
where:
bonds (distance) C4'-P energy: -26.608
bonds (distance) P-C4' energy: -18.175
flat angles C4'-P-C4' energy: -27.784
flat angles P-C4'-P energy: -16.304
tors. eta vs tors. theta energy: -33.150
Dist. restrs. and SS energy: 0.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -404.022527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.022527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.535212 (E_RNA)
where:
Base-Base interactions energy: -272.927
where: short stacking energy: -107.403
Base-Backbone interact. energy: -1.186
local terms energy: -130.422626
where:
bonds (distance) C4'-P energy: -24.716
bonds (distance) P-C4' energy: -19.652
flat angles C4'-P-C4' energy: -31.814
flat angles P-C4'-P energy: -21.652
tors. eta vs tors. theta energy: -32.590
Dist. restrs. and SS energy: 0.513 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -360.121556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.121556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.488715 (E_RNA)
where:
Base-Base interactions energy: -237.458
where: short stacking energy: -101.667
Base-Backbone interact. energy: -0.573
local terms energy: -122.458132
where:
bonds (distance) C4'-P energy: -24.801
bonds (distance) P-C4' energy: -25.089
flat angles C4'-P-C4' energy: -27.224
flat angles P-C4'-P energy: -15.020
tors. eta vs tors. theta energy: -30.324
Dist. restrs. and SS energy: 0.367 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -354.958516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.958516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.492839 (E_RNA)
where:
Base-Base interactions energy: -237.704
where: short stacking energy: -98.080
Base-Backbone interact. energy: -0.280
local terms energy: -117.508861
where:
bonds (distance) C4'-P energy: -23.661
bonds (distance) P-C4' energy: -25.446
flat angles C4'-P-C4' energy: -25.070
flat angles P-C4'-P energy: -11.446
tors. eta vs tors. theta energy: -31.885
Dist. restrs. and SS energy: 0.534 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -339.714702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.714702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.078718 (E_RNA)
where:
Base-Base interactions energy: -218.393
where: short stacking energy: -86.865
Base-Backbone interact. energy: -0.397
local terms energy: -121.288818
where:
bonds (distance) C4'-P energy: -21.841
bonds (distance) P-C4' energy: -25.337
flat angles C4'-P-C4' energy: -29.489
flat angles P-C4'-P energy: -20.039
tors. eta vs tors. theta energy: -24.583
Dist. restrs. and SS energy: 0.364 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -333.717226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.717226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.448953 (E_RNA)
where:
Base-Base interactions energy: -220.264
where: short stacking energy: -87.714
Base-Backbone interact. energy: -0.600
local terms energy: -113.584468
where:
bonds (distance) C4'-P energy: -26.677
bonds (distance) P-C4' energy: -26.460
flat angles C4'-P-C4' energy: -22.374
flat angles P-C4'-P energy: -13.794
tors. eta vs tors. theta energy: -24.280
Dist. restrs. and SS energy: 0.732 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -334.835754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.835754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.022318 (E_RNA)
where:
Base-Base interactions energy: -226.717
where: short stacking energy: -92.253
Base-Backbone interact. energy: -0.722
local terms energy: -107.583584
where:
bonds (distance) C4'-P energy: -23.663
bonds (distance) P-C4' energy: -17.554
flat angles C4'-P-C4' energy: -20.984
flat angles P-C4'-P energy: -17.897
tors. eta vs tors. theta energy: -27.487
Dist. restrs. and SS energy: 0.187 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -320.747494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.747494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.268657 (E_RNA)
where:
Base-Base interactions energy: -200.739
where: short stacking energy: -84.285
Base-Backbone interact. energy: -0.757
local terms energy: -119.772748
where:
bonds (distance) C4'-P energy: -26.494
bonds (distance) P-C4' energy: -25.673
flat angles C4'-P-C4' energy: -26.911
flat angles P-C4'-P energy: -14.228
tors. eta vs tors. theta energy: -26.467
Dist. restrs. and SS energy: 0.521 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -452.106283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.106283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.252313 (E_RNA)
where:
Base-Base interactions energy: -321.420
where: short stacking energy: -117.035
Base-Backbone interact. energy: -0.343
local terms energy: -130.489291
where:
bonds (distance) C4'-P energy: -24.493
bonds (distance) P-C4' energy: -24.471
flat angles C4'-P-C4' energy: -29.227
flat angles P-C4'-P energy: -16.576
tors. eta vs tors. theta energy: -35.722
Dist. restrs. and SS energy: 0.146 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -398.065601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.065601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.094554 (E_RNA)
where:
Base-Base interactions energy: -267.546
where: short stacking energy: -114.509
Base-Backbone interact. energy: -0.422
local terms energy: -130.126971
where:
bonds (distance) C4'-P energy: -24.162
bonds (distance) P-C4' energy: -28.985
flat angles C4'-P-C4' energy: -28.514
flat angles P-C4'-P energy: -18.000
tors. eta vs tors. theta energy: -30.466
Dist. restrs. and SS energy: 0.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -391.294007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.294007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.382358 (E_RNA)
where:
Base-Base interactions energy: -250.977
where: short stacking energy: -115.425
Base-Backbone interact. energy: -0.142
local terms energy: -140.263588
where:
bonds (distance) C4'-P energy: -26.556
bonds (distance) P-C4' energy: -29.822
flat angles C4'-P-C4' energy: -29.760
flat angles P-C4'-P energy: -20.605
tors. eta vs tors. theta energy: -33.520
Dist. restrs. and SS energy: 0.088 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -372.177033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.177033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.341545 (E_RNA)
where:
Base-Base interactions energy: -242.788
where: short stacking energy: -100.453
Base-Backbone interact. energy: -0.123
local terms energy: -129.430824
where:
bonds (distance) C4'-P energy: -29.665
bonds (distance) P-C4' energy: -26.241
flat angles C4'-P-C4' energy: -27.701
flat angles P-C4'-P energy: -17.855
tors. eta vs tors. theta energy: -27.968
Dist. restrs. and SS energy: 0.165 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -384.784826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.784826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.929928 (E_RNA)
where:
Base-Base interactions energy: -251.287
where: short stacking energy: -105.620
Base-Backbone interact. energy: 0.550
local terms energy: -134.192622
where:
bonds (distance) C4'-P energy: -26.519
bonds (distance) P-C4' energy: -27.198
flat angles C4'-P-C4' energy: -28.943
flat angles P-C4'-P energy: -19.141
tors. eta vs tors. theta energy: -32.391
Dist. restrs. and SS energy: 0.145 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -360.921823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.921823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.126716 (E_RNA)
where:
Base-Base interactions energy: -245.903
where: short stacking energy: -90.435
Base-Backbone interact. energy: -0.977
local terms energy: -114.246905
where:
bonds (distance) C4'-P energy: -23.658
bonds (distance) P-C4' energy: -25.937
flat angles C4'-P-C4' energy: -21.029
flat angles P-C4'-P energy: -15.152
tors. eta vs tors. theta energy: -28.471
Dist. restrs. and SS energy: 0.205 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -338.257916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.257916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.623210 (E_RNA)
where:
Base-Base interactions energy: -225.871
where: short stacking energy: -82.330
Base-Backbone interact. energy: -0.496
local terms energy: -112.255887
where:
bonds (distance) C4'-P energy: -24.380
bonds (distance) P-C4' energy: -25.986
flat angles C4'-P-C4' energy: -28.030
flat angles P-C4'-P energy: -12.139
tors. eta vs tors. theta energy: -21.721
Dist. restrs. and SS energy: 0.365 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -330.641644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.641644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.673120 (E_RNA)
where:
Base-Base interactions energy: -209.107
where: short stacking energy: -81.920
Base-Backbone interact. energy: -0.733
local terms energy: -121.832928
where:
bonds (distance) C4'-P energy: -29.102
bonds (distance) P-C4' energy: -24.754
flat angles C4'-P-C4' energy: -25.057
flat angles P-C4'-P energy: -18.956
tors. eta vs tors. theta energy: -23.964
Dist. restrs. and SS energy: 1.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -319.267441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.267441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.463013 (E_RNA)
where:
Base-Base interactions energy: -219.802
where: short stacking energy: -75.043
Base-Backbone interact. energy: 0.137
local terms energy: -99.798060
where:
bonds (distance) C4'-P energy: -22.448
bonds (distance) P-C4' energy: -18.764
flat angles C4'-P-C4' energy: -26.118
flat angles P-C4'-P energy: -17.523
tors. eta vs tors. theta energy: -14.945
Dist. restrs. and SS energy: 0.196 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -328.201272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.201272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.662962 (E_RNA)
where:
Base-Base interactions energy: -219.225
where: short stacking energy: -91.630
Base-Backbone interact. energy: -0.513
local terms energy: -108.925226
where:
bonds (distance) C4'-P energy: -25.743
bonds (distance) P-C4' energy: -22.306
flat angles C4'-P-C4' energy: -24.622
flat angles P-C4'-P energy: -12.763
tors. eta vs tors. theta energy: -23.492
Dist. restrs. and SS energy: 0.462 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -443.948075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.948075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.033772 (E_RNA)
where:
Base-Base interactions energy: -308.073
where: short stacking energy: -118.824
Base-Backbone interact. energy: -0.340
local terms energy: -135.620332
where:
bonds (distance) C4'-P energy: -26.381
bonds (distance) P-C4' energy: -28.502
flat angles C4'-P-C4' energy: -32.448
flat angles P-C4'-P energy: -16.796
tors. eta vs tors. theta energy: -31.493
Dist. restrs. and SS energy: 0.086 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -405.445537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.445537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.487537 (E_RNA)
where:
Base-Base interactions energy: -267.116
where: short stacking energy: -114.481
Base-Backbone interact. energy: 0.832
local terms energy: -139.203528
where:
bonds (distance) C4'-P energy: -27.814
bonds (distance) P-C4' energy: -33.586
flat angles C4'-P-C4' energy: -28.532
flat angles P-C4'-P energy: -20.610
tors. eta vs tors. theta energy: -28.661
Dist. restrs. and SS energy: 0.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -390.301218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.301218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.441037 (E_RNA)
where:
Base-Base interactions energy: -267.092
where: short stacking energy: -110.492
Base-Backbone interact. energy: -1.327
local terms energy: -122.022537
where:
bonds (distance) C4'-P energy: -23.646
bonds (distance) P-C4' energy: -26.371
flat angles C4'-P-C4' energy: -29.998
flat angles P-C4'-P energy: -12.316
tors. eta vs tors. theta energy: -29.691
Dist. restrs. and SS energy: 0.140 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -374.892603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.892603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.923222 (E_RNA)
where:
Base-Base interactions energy: -253.669
where: short stacking energy: -102.438
Base-Backbone interact. energy: 0.857
local terms energy: -122.110964
where:
bonds (distance) C4'-P energy: -24.262
bonds (distance) P-C4' energy: -29.073
flat angles C4'-P-C4' energy: -28.098
flat angles P-C4'-P energy: -11.754
tors. eta vs tors. theta energy: -28.924
Dist. restrs. and SS energy: 0.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -368.118987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.118987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.461807 (E_RNA)
where:
Base-Base interactions energy: -242.085
where: short stacking energy: -97.662
Base-Backbone interact. energy: -0.721
local terms energy: -125.655230
where:
bonds (distance) C4'-P energy: -26.583
bonds (distance) P-C4' energy: -23.421
flat angles C4'-P-C4' energy: -26.095
flat angles P-C4'-P energy: -22.336
tors. eta vs tors. theta energy: -27.220
Dist. restrs. and SS energy: 0.343 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -377.561730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.561730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.276000 (E_RNA)
where:
Base-Base interactions energy: -246.961
where: short stacking energy: -102.014
Base-Backbone interact. energy: -0.173
local terms energy: -131.141501
where:
bonds (distance) C4'-P energy: -25.545
bonds (distance) P-C4' energy: -26.592
flat angles C4'-P-C4' energy: -26.883
flat angles P-C4'-P energy: -18.271
tors. eta vs tors. theta energy: -33.851
Dist. restrs. and SS energy: 0.714 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -346.760918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.760918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.989307 (E_RNA)
where:
Base-Base interactions energy: -235.902
where: short stacking energy: -78.739
Base-Backbone interact. energy: -1.354
local terms energy: -109.733613
where:
bonds (distance) C4'-P energy: -21.461
bonds (distance) P-C4' energy: -25.763
flat angles C4'-P-C4' energy: -24.323
flat angles P-C4'-P energy: -20.530
tors. eta vs tors. theta energy: -17.656
Dist. restrs. and SS energy: 0.228 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -342.738309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.738309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.139536 (E_RNA)
where:
Base-Base interactions energy: -228.152
where: short stacking energy: -89.675
Base-Backbone interact. energy: -0.073
local terms energy: -114.914904
where:
bonds (distance) C4'-P energy: -23.529
bonds (distance) P-C4' energy: -28.569
flat angles C4'-P-C4' energy: -17.370
flat angles P-C4'-P energy: -19.451
tors. eta vs tors. theta energy: -25.996
Dist. restrs. and SS energy: 0.401 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -337.133988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.133988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.892137 (E_RNA)
where:
Base-Base interactions energy: -225.558
where: short stacking energy: -86.718
Base-Backbone interact. energy: -0.495
local terms energy: -111.839210
where:
bonds (distance) C4'-P energy: -25.041
bonds (distance) P-C4' energy: -24.754
flat angles C4'-P-C4' energy: -19.536
flat angles P-C4'-P energy: -14.398
tors. eta vs tors. theta energy: -28.111
Dist. restrs. and SS energy: 0.758 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -315.489364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.489364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.201612 (E_RNA)
where:
Base-Base interactions energy: -212.751
where: short stacking energy: -94.638
Base-Backbone interact. energy: 0.715
local terms energy: -104.165976
where:
bonds (distance) C4'-P energy: -16.503
bonds (distance) P-C4' energy: -22.942
flat angles C4'-P-C4' energy: -23.676
flat angles P-C4'-P energy: -15.445
tors. eta vs tors. theta energy: -25.599
Dist. restrs. and SS energy: 0.712 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -445.611144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.611144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.962984 (E_RNA)
where:
Base-Base interactions energy: -307.298
where: short stacking energy: -108.025
Base-Backbone interact. energy: -0.848
local terms energy: -137.816342
where:
bonds (distance) C4'-P energy: -25.712
bonds (distance) P-C4' energy: -26.213
flat angles C4'-P-C4' energy: -29.581
flat angles P-C4'-P energy: -23.383
tors. eta vs tors. theta energy: -32.926
Dist. restrs. and SS energy: 0.352 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -393.793139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.793139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.846780 (E_RNA)
where:
Base-Base interactions energy: -257.906
where: short stacking energy: -115.173
Base-Backbone interact. energy: -0.275
local terms energy: -135.665283
where:
bonds (distance) C4'-P energy: -30.118
bonds (distance) P-C4' energy: -31.845
flat angles C4'-P-C4' energy: -29.206
flat angles P-C4'-P energy: -12.436
tors. eta vs tors. theta energy: -32.061
Dist. restrs. and SS energy: 0.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -392.250576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.250576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.392362 (E_RNA)
where:
Base-Base interactions energy: -266.808
where: short stacking energy: -112.955
Base-Backbone interact. energy: -1.599
local terms energy: -123.985279
where:
bonds (distance) C4'-P energy: -23.777
bonds (distance) P-C4' energy: -24.297
flat angles C4'-P-C4' energy: -26.249
flat angles P-C4'-P energy: -16.431
tors. eta vs tors. theta energy: -33.232
Dist. restrs. and SS energy: 0.142 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -373.496841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.496841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.710675 (E_RNA)
where:
Base-Base interactions energy: -257.126
where: short stacking energy: -101.234
Base-Backbone interact. energy: 0.569
local terms energy: -117.153034
where:
bonds (distance) C4'-P energy: -24.755
bonds (distance) P-C4' energy: -23.788
flat angles C4'-P-C4' energy: -26.051
flat angles P-C4'-P energy: -17.386
tors. eta vs tors. theta energy: -25.173
Dist. restrs. and SS energy: 0.214 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -374.705917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.705917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.987342 (E_RNA)
where:
Base-Base interactions energy: -249.591
where: short stacking energy: -103.242
Base-Backbone interact. energy: -1.160
local terms energy: -124.236100
where:
bonds (distance) C4'-P energy: -25.649
bonds (distance) P-C4' energy: -23.972
flat angles C4'-P-C4' energy: -28.706
flat angles P-C4'-P energy: -18.107
tors. eta vs tors. theta energy: -27.802
Dist. restrs. and SS energy: 0.281 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -369.535634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.535634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.926723 (E_RNA)
where:
Base-Base interactions energy: -243.604
where: short stacking energy: -102.528
Base-Backbone interact. energy: -0.162
local terms energy: -127.160982
where:
bonds (distance) C4'-P energy: -24.392
bonds (distance) P-C4' energy: -31.101
flat angles C4'-P-C4' energy: -28.948
flat angles P-C4'-P energy: -13.775
tors. eta vs tors. theta energy: -28.945
Dist. restrs. and SS energy: 1.391 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -332.596143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.596143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.877263 (E_RNA)
where:
Base-Base interactions energy: -219.534
where: short stacking energy: -76.169
Base-Backbone interact. energy: 2.298
local terms energy: -115.641794
where:
bonds (distance) C4'-P energy: -24.730
bonds (distance) P-C4' energy: -28.693
flat angles C4'-P-C4' energy: -29.265
flat angles P-C4'-P energy: -18.618
tors. eta vs tors. theta energy: -14.337
Dist. restrs. and SS energy: 0.281 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -333.389983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.389983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.675755 (E_RNA)
where:
Base-Base interactions energy: -222.930
where: short stacking energy: -86.170
Base-Backbone interact. energy: -0.103
local terms energy: -110.642499
where:
bonds (distance) C4'-P energy: -26.287
bonds (distance) P-C4' energy: -24.928
flat angles C4'-P-C4' energy: -25.369
flat angles P-C4'-P energy: -11.879
tors. eta vs tors. theta energy: -22.180
Dist. restrs. and SS energy: 0.286 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -341.079643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.079643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.235899 (E_RNA)
where:
Base-Base interactions energy: -225.635
where: short stacking energy: -97.629
Base-Backbone interact. energy: -0.896
local terms energy: -114.704634
where:
bonds (distance) C4'-P energy: -22.263
bonds (distance) P-C4' energy: -27.828
flat angles C4'-P-C4' energy: -28.008
flat angles P-C4'-P energy: -14.465
tors. eta vs tors. theta energy: -22.140
Dist. restrs. and SS energy: 0.156 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -314.203372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.203372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.619377 (E_RNA)
where:
Base-Base interactions energy: -218.926
where: short stacking energy: -85.234
Base-Backbone interact. energy: -0.358
local terms energy: -95.335143
where:
bonds (distance) C4'-P energy: -19.893
bonds (distance) P-C4' energy: -15.084
flat angles C4'-P-C4' energy: -24.323
flat angles P-C4'-P energy: -9.021
tors. eta vs tors. theta energy: -27.015
Dist. restrs. and SS energy: 0.416 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -448.233928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.233928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.317935 (E_RNA)
where:
Base-Base interactions energy: -312.868
where: short stacking energy: -111.921
Base-Backbone interact. energy: -0.671
local terms energy: -134.778933
where:
bonds (distance) C4'-P energy: -23.355
bonds (distance) P-C4' energy: -28.336
flat angles C4'-P-C4' energy: -31.273
flat angles P-C4'-P energy: -18.915
tors. eta vs tors. theta energy: -32.901
Dist. restrs. and SS energy: 0.084 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -391.275955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.275955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.515240 (E_RNA)
where:
Base-Base interactions energy: -268.931
where: short stacking energy: -111.552
Base-Backbone interact. energy: -0.987
local terms energy: -121.597684
where:
bonds (distance) C4'-P energy: -23.243
bonds (distance) P-C4' energy: -21.811
flat angles C4'-P-C4' energy: -29.681
flat angles P-C4'-P energy: -16.086
tors. eta vs tors. theta energy: -30.776
Dist. restrs. and SS energy: 0.239 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -403.099676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.099676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.227345 (E_RNA)
where:
Base-Base interactions energy: -270.151
where: short stacking energy: -121.342
Base-Backbone interact. energy: -0.281
local terms energy: -132.795946
where:
bonds (distance) C4'-P energy: -23.567
bonds (distance) P-C4' energy: -29.466
flat angles C4'-P-C4' energy: -28.907
flat angles P-C4'-P energy: -15.741
tors. eta vs tors. theta energy: -35.116
Dist. restrs. and SS energy: 0.128 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -368.266381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.266381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.538819 (E_RNA)
where:
Base-Base interactions energy: -237.328
where: short stacking energy: -98.417
Base-Backbone interact. energy: -0.012
local terms energy: -131.198845
where:
bonds (distance) C4'-P energy: -24.544
bonds (distance) P-C4' energy: -24.837
flat angles C4'-P-C4' energy: -31.765
flat angles P-C4'-P energy: -19.674
tors. eta vs tors. theta energy: -30.379
Dist. restrs. and SS energy: 0.272 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -370.683752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.683752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.745026 (E_RNA)
where:
Base-Base interactions energy: -251.260
where: short stacking energy: -106.242
Base-Backbone interact. energy: -0.319
local terms energy: -119.165919
where:
bonds (distance) C4'-P energy: -25.286
bonds (distance) P-C4' energy: -24.254
flat angles C4'-P-C4' energy: -23.561
flat angles P-C4'-P energy: -18.046
tors. eta vs tors. theta energy: -28.018
Dist. restrs. and SS energy: 0.061 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -366.035836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.035836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.365800 (E_RNA)
where:
Base-Base interactions energy: -237.425
where: short stacking energy: -95.213
Base-Backbone interact. energy: -0.913
local terms energy: -128.027217
where:
bonds (distance) C4'-P energy: -22.054
bonds (distance) P-C4' energy: -27.842
flat angles C4'-P-C4' energy: -28.819
flat angles P-C4'-P energy: -21.129
tors. eta vs tors. theta energy: -28.182
Dist. restrs. and SS energy: 0.330 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -338.705103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.705103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.862409 (E_RNA)
where:
Base-Base interactions energy: -221.319
where: short stacking energy: -93.306
Base-Backbone interact. energy: -0.058
local terms energy: -117.485262
where:
bonds (distance) C4'-P energy: -23.838
bonds (distance) P-C4' energy: -23.194
flat angles C4'-P-C4' energy: -26.029
flat angles P-C4'-P energy: -13.977
tors. eta vs tors. theta energy: -30.448
Dist. restrs. and SS energy: 0.157 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -334.062074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.062074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.350000 (E_RNA)
where:
Base-Base interactions energy: -216.785
where: short stacking energy: -87.027
Base-Backbone interact. energy: -4.078
local terms energy: -113.486936
where:
bonds (distance) C4'-P energy: -23.828
bonds (distance) P-C4' energy: -22.484
flat angles C4'-P-C4' energy: -26.343
flat angles P-C4'-P energy: -18.184
tors. eta vs tors. theta energy: -22.648
Dist. restrs. and SS energy: 0.288 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -338.844118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.844118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.038721 (E_RNA)
where:
Base-Base interactions energy: -228.432
where: short stacking energy: -89.598
Base-Backbone interact. energy: -0.693
local terms energy: -109.913047
where:
bonds (distance) C4'-P energy: -26.310
bonds (distance) P-C4' energy: -20.968
flat angles C4'-P-C4' energy: -26.482
flat angles P-C4'-P energy: -14.113
tors. eta vs tors. theta energy: -22.039
Dist. restrs. and SS energy: 0.195 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -322.657034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.657034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.058782 (E_RNA)
where:
Base-Base interactions energy: -223.449
where: short stacking energy: -88.742
Base-Backbone interact. energy: -0.439
local terms energy: -99.171527
where:
bonds (distance) C4'-P energy: -18.874
bonds (distance) P-C4' energy: -26.127
flat angles C4'-P-C4' energy: -13.442
flat angles P-C4'-P energy: -18.579
tors. eta vs tors. theta energy: -22.148
Dist. restrs. and SS energy: 0.402 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -444.419739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.419739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.537413 (E_RNA)
where:
Base-Base interactions energy: -319.152
where: short stacking energy: -115.255
Base-Backbone interact. energy: -0.818
local terms energy: -124.567589
where:
bonds (distance) C4'-P energy: -18.359
bonds (distance) P-C4' energy: -29.054
flat angles C4'-P-C4' energy: -29.799
flat angles P-C4'-P energy: -14.958
tors. eta vs tors. theta energy: -32.397
Dist. restrs. and SS energy: 0.118 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -388.719688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.719688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.882996 (E_RNA)
where:
Base-Base interactions energy: -263.095
where: short stacking energy: -105.283
Base-Backbone interact. energy: -0.306
local terms energy: -125.481629
where:
bonds (distance) C4'-P energy: -26.957
bonds (distance) P-C4' energy: -30.838
flat angles C4'-P-C4' energy: -23.940
flat angles P-C4'-P energy: -16.749
tors. eta vs tors. theta energy: -26.998
Dist. restrs. and SS energy: 0.163 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -389.705336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.705336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.753136 (E_RNA)
where:
Base-Base interactions energy: -267.894
where: short stacking energy: -107.973
Base-Backbone interact. energy: -0.337
local terms energy: -121.521755
where:
bonds (distance) C4'-P energy: -23.774
bonds (distance) P-C4' energy: -26.117
flat angles C4'-P-C4' energy: -26.015
flat angles P-C4'-P energy: -18.631
tors. eta vs tors. theta energy: -26.985
Dist. restrs. and SS energy: 0.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -372.262367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.262367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.610730 (E_RNA)
where:
Base-Base interactions energy: -247.924
where: short stacking energy: -109.706
Base-Backbone interact. energy: 1.362
local terms energy: -126.049570
where:
bonds (distance) C4'-P energy: -25.425
bonds (distance) P-C4' energy: -30.329
flat angles C4'-P-C4' energy: -23.210
flat angles P-C4'-P energy: -18.634
tors. eta vs tors. theta energy: -28.452
Dist. restrs. and SS energy: 0.348 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -383.135158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.135158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.185425 (E_RNA)
where:
Base-Base interactions energy: -259.237
where: short stacking energy: -113.069
Base-Backbone interact. energy: -1.033
local terms energy: -122.915047
where:
bonds (distance) C4'-P energy: -23.876
bonds (distance) P-C4' energy: -25.512
flat angles C4'-P-C4' energy: -21.546
flat angles P-C4'-P energy: -19.241
tors. eta vs tors. theta energy: -32.739
Dist. restrs. and SS energy: 0.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -351.010732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.010732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.082303 (E_RNA)
where:
Base-Base interactions energy: -233.861
where: short stacking energy: -89.451
Base-Backbone interact. energy: -1.906
local terms energy: -115.315772
where:
bonds (distance) C4'-P energy: -18.267
bonds (distance) P-C4' energy: -25.498
flat angles C4'-P-C4' energy: -27.861
flat angles P-C4'-P energy: -19.571
tors. eta vs tors. theta energy: -24.118
Dist. restrs. and SS energy: 0.072 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -360.389049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.389049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.537395 (E_RNA)
where:
Base-Base interactions energy: -252.680
where: short stacking energy: -107.561
Base-Backbone interact. energy: -0.985
local terms energy: -106.873223
where:
bonds (distance) C4'-P energy: -18.680
bonds (distance) P-C4' energy: -20.256
flat angles C4'-P-C4' energy: -27.054
flat angles P-C4'-P energy: -15.665
tors. eta vs tors. theta energy: -25.219
Dist. restrs. and SS energy: 0.148 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -332.216443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.216443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.332089 (E_RNA)
where:
Base-Base interactions energy: -226.566
where: short stacking energy: -86.635
Base-Backbone interact. energy: -1.764
local terms energy: -104.002148
where:
bonds (distance) C4'-P energy: -28.151
bonds (distance) P-C4' energy: -22.394
flat angles C4'-P-C4' energy: -23.704
flat angles P-C4'-P energy: -12.669
tors. eta vs tors. theta energy: -17.085
Dist. restrs. and SS energy: 0.116 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -326.130061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.130061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.074731 (E_RNA)
where:
Base-Base interactions energy: -221.192
where: short stacking energy: -88.466
Base-Backbone interact. energy: -0.192
local terms energy: -105.691059
where:
bonds (distance) C4'-P energy: -14.170
bonds (distance) P-C4' energy: -25.982
flat angles C4'-P-C4' energy: -21.053
flat angles P-C4'-P energy: -17.842
tors. eta vs tors. theta energy: -26.644
Dist. restrs. and SS energy: 0.945 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -312.538286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.538286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.093618 (E_RNA)
where:
Base-Base interactions energy: -209.658
where: short stacking energy: -73.672
Base-Backbone interact. energy: -0.945
local terms energy: -102.490728
where:
bonds (distance) C4'-P energy: -20.767
bonds (distance) P-C4' energy: -19.936
flat angles C4'-P-C4' energy: -27.478
flat angles P-C4'-P energy: -14.562
tors. eta vs tors. theta energy: -19.748
Dist. restrs. and SS energy: 0.555 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -459.037672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.037672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.149062 (E_RNA)
where:
Base-Base interactions energy: -317.351
where: short stacking energy: -117.003
Base-Backbone interact. energy: -1.032
local terms energy: -140.765706
where:
bonds (distance) C4'-P energy: -30.457
bonds (distance) P-C4' energy: -30.287
flat angles C4'-P-C4' energy: -29.821
flat angles P-C4'-P energy: -18.838
tors. eta vs tors. theta energy: -31.363
Dist. restrs. and SS energy: 0.111 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -396.694526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.694526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.026493 (E_RNA)
where:
Base-Base interactions energy: -267.305
where: short stacking energy: -107.119
Base-Backbone interact. energy: -1.199
local terms energy: -128.522980
where:
bonds (distance) C4'-P energy: -24.652
bonds (distance) P-C4' energy: -26.824
flat angles C4'-P-C4' energy: -26.814
flat angles P-C4'-P energy: -18.924
tors. eta vs tors. theta energy: -31.309
Dist. restrs. and SS energy: 0.332 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -391.688118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.688118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.069397 (E_RNA)
where:
Base-Base interactions energy: -255.152
where: short stacking energy: -113.480
Base-Backbone interact. energy: -0.660
local terms energy: -136.257608
where:
bonds (distance) C4'-P energy: -26.420
bonds (distance) P-C4' energy: -27.777
flat angles C4'-P-C4' energy: -32.666
flat angles P-C4'-P energy: -16.376
tors. eta vs tors. theta energy: -33.019
Dist. restrs. and SS energy: 0.381 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -355.885904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.885904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.049008 (E_RNA)
where:
Base-Base interactions energy: -242.384
where: short stacking energy: -109.228
Base-Backbone interact. energy: -0.114
local terms energy: -113.550900
where:
bonds (distance) C4'-P energy: -27.214
bonds (distance) P-C4' energy: -20.373
flat angles C4'-P-C4' energy: -22.979
flat angles P-C4'-P energy: -16.885
tors. eta vs tors. theta energy: -26.101
Dist. restrs. and SS energy: 0.163 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -374.999420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.999420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.373735 (E_RNA)
where:
Base-Base interactions energy: -253.413
where: short stacking energy: -108.838
Base-Backbone interact. energy: -0.652
local terms energy: -121.309050
where:
bonds (distance) C4'-P energy: -26.636
bonds (distance) P-C4' energy: -29.305
flat angles C4'-P-C4' energy: -18.387
flat angles P-C4'-P energy: -17.067
tors. eta vs tors. theta energy: -29.915
Dist. restrs. and SS energy: 0.374 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -367.995437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.995437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.653511 (E_RNA)
where:
Base-Base interactions energy: -252.665
where: short stacking energy: -108.968
Base-Backbone interact. energy: 1.048
local terms energy: -117.036050
where:
bonds (distance) C4'-P energy: -25.004
bonds (distance) P-C4' energy: -28.571
flat angles C4'-P-C4' energy: -27.730
flat angles P-C4'-P energy: -7.584
tors. eta vs tors. theta energy: -28.147
Dist. restrs. and SS energy: 0.658 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -351.689514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.689514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.827142 (E_RNA)
where:
Base-Base interactions energy: -237.537
where: short stacking energy: -86.726
Base-Backbone interact. energy: -0.498
local terms energy: -113.792602
where:
bonds (distance) C4'-P energy: -21.941
bonds (distance) P-C4' energy: -29.247
flat angles C4'-P-C4' energy: -24.846
flat angles P-C4'-P energy: -11.930
tors. eta vs tors. theta energy: -25.828
Dist. restrs. and SS energy: 0.138 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -351.429956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.429956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.202813 (E_RNA)
where:
Base-Base interactions energy: -248.562
where: short stacking energy: -87.373
Base-Backbone interact. energy: 0.773
local terms energy: -104.414029
where:
bonds (distance) C4'-P energy: -20.302
bonds (distance) P-C4' energy: -16.252
flat angles C4'-P-C4' energy: -31.199
flat angles P-C4'-P energy: -12.600
tors. eta vs tors. theta energy: -24.062
Dist. restrs. and SS energy: 0.773 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -322.891456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.891456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.037626 (E_RNA)
where:
Base-Base interactions energy: -213.711
where: short stacking energy: -81.847
Base-Backbone interact. energy: 0.079
local terms energy: -109.405538
where:
bonds (distance) C4'-P energy: -21.324
bonds (distance) P-C4' energy: -22.427
flat angles C4'-P-C4' energy: -25.436
flat angles P-C4'-P energy: -16.711
tors. eta vs tors. theta energy: -23.508
Dist. restrs. and SS energy: 0.146 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -318.365328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.365328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.467436 (E_RNA)
where:
Base-Base interactions energy: -217.388
where: short stacking energy: -75.352
Base-Backbone interact. energy: -0.332
local terms energy: -100.747621
where:
bonds (distance) C4'-P energy: -21.718
bonds (distance) P-C4' energy: -18.719
flat angles C4'-P-C4' energy: -29.514
flat angles P-C4'-P energy: -14.287
tors. eta vs tors. theta energy: -16.510
Dist. restrs. and SS energy: 0.102 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -452.943327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.943327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.197370 (E_RNA)
where:
Base-Base interactions energy: -317.302
where: short stacking energy: -118.192
Base-Backbone interact. energy: -0.489
local terms energy: -135.406452
where:
bonds (distance) C4'-P energy: -30.484
bonds (distance) P-C4' energy: -25.268
flat angles C4'-P-C4' energy: -27.062
flat angles P-C4'-P energy: -18.240
tors. eta vs tors. theta energy: -34.352
Dist. restrs. and SS energy: 0.254 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -416.104526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.104526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.247497 (E_RNA)
where:
Base-Base interactions energy: -285.090
where: short stacking energy: -109.092
Base-Backbone interact. energy: -0.879
local terms energy: -130.278150
where:
bonds (distance) C4'-P energy: -25.165
bonds (distance) P-C4' energy: -31.107
flat angles C4'-P-C4' energy: -32.162
flat angles P-C4'-P energy: -13.031
tors. eta vs tors. theta energy: -28.813
Dist. restrs. and SS energy: 0.143 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -381.062834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.062834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.308581 (E_RNA)
where:
Base-Base interactions energy: -266.697
where: short stacking energy: -109.670
Base-Backbone interact. energy: -0.396
local terms energy: -114.216096
where:
bonds (distance) C4'-P energy: -22.853
bonds (distance) P-C4' energy: -21.559
flat angles C4'-P-C4' energy: -24.424
flat angles P-C4'-P energy: -17.792
tors. eta vs tors. theta energy: -27.589
Dist. restrs. and SS energy: 0.246 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -384.439095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.439095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.545744 (E_RNA)
where:
Base-Base interactions energy: -250.843
where: short stacking energy: -110.611
Base-Backbone interact. energy: -0.440
local terms energy: -133.263080
where:
bonds (distance) C4'-P energy: -28.868
bonds (distance) P-C4' energy: -32.139
flat angles C4'-P-C4' energy: -24.100
flat angles P-C4'-P energy: -17.309
tors. eta vs tors. theta energy: -30.848
Dist. restrs. and SS energy: 0.107 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -352.058755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.058755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.154000 (E_RNA)
where:
Base-Base interactions energy: -235.849
where: short stacking energy: -93.644
Base-Backbone interact. energy: -0.384
local terms energy: -115.921481
where:
bonds (distance) C4'-P energy: -22.854
bonds (distance) P-C4' energy: -26.778
flat angles C4'-P-C4' energy: -26.365
flat angles P-C4'-P energy: -16.042
tors. eta vs tors. theta energy: -23.883
Dist. restrs. and SS energy: 0.095 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -364.489916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.489916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.867361 (E_RNA)
where:
Base-Base interactions energy: -241.731
where: short stacking energy: -88.368
Base-Backbone interact. energy: -1.051
local terms energy: -122.086198
where:
bonds (distance) C4'-P energy: -27.215
bonds (distance) P-C4' energy: -21.636
flat angles C4'-P-C4' energy: -27.314
flat angles P-C4'-P energy: -19.840
tors. eta vs tors. theta energy: -26.081
Dist. restrs. and SS energy: 0.377 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -361.359132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.359132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.568955 (E_RNA)
where:
Base-Base interactions energy: -242.816
where: short stacking energy: -94.590
Base-Backbone interact. energy: 0.253
local terms energy: -119.005991
where:
bonds (distance) C4'-P energy: -22.437
bonds (distance) P-C4' energy: -29.334
flat angles C4'-P-C4' energy: -26.232
flat angles P-C4'-P energy: -15.060
tors. eta vs tors. theta energy: -25.943
Dist. restrs. and SS energy: 0.210 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -335.242970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.242970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.831479 (E_RNA)
where:
Base-Base interactions energy: -216.150
where: short stacking energy: -86.733
Base-Backbone interact. energy: -1.851
local terms energy: -117.830019
where:
bonds (distance) C4'-P energy: -21.560
bonds (distance) P-C4' energy: -25.209
flat angles C4'-P-C4' energy: -27.951
flat angles P-C4'-P energy: -17.615
tors. eta vs tors. theta energy: -25.495
Dist. restrs. and SS energy: 0.589 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -336.439979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.439979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.704492 (E_RNA)
where:
Base-Base interactions energy: -230.615
where: short stacking energy: -94.983
Base-Backbone interact. energy: -0.494
local terms energy: -105.595179
where:
bonds (distance) C4'-P energy: -22.898
bonds (distance) P-C4' energy: -18.356
flat angles C4'-P-C4' energy: -24.669
flat angles P-C4'-P energy: -12.221
tors. eta vs tors. theta energy: -27.452
Dist. restrs. and SS energy: 0.265 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -304.188835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.188835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.756971 (E_RNA)
where:
Base-Base interactions energy: -208.879
where: short stacking energy: -88.346
Base-Backbone interact. energy: -0.063
local terms energy: -95.814879
where:
bonds (distance) C4'-P energy: -17.869
bonds (distance) P-C4' energy: -21.219
flat angles C4'-P-C4' energy: -22.163
flat angles P-C4'-P energy: -6.999
tors. eta vs tors. theta energy: -27.564
Dist. restrs. and SS energy: 0.568 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -444.212403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.212403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.373399 (E_RNA)
where:
Base-Base interactions energy: -317.609
where: short stacking energy: -122.081
Base-Backbone interact. energy: 0.389
local terms energy: -127.153257
where:
bonds (distance) C4'-P energy: -23.673
bonds (distance) P-C4' energy: -24.749
flat angles C4'-P-C4' energy: -25.245
flat angles P-C4'-P energy: -22.479
tors. eta vs tors. theta energy: -31.007
Dist. restrs. and SS energy: 0.161 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -407.501157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.501157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.676353 (E_RNA)
where:
Base-Base interactions energy: -275.760
where: short stacking energy: -113.531
Base-Backbone interact. energy: -0.496
local terms energy: -131.419786
where:
bonds (distance) C4'-P energy: -23.738
bonds (distance) P-C4' energy: -29.646
flat angles C4'-P-C4' energy: -28.865
flat angles P-C4'-P energy: -18.305
tors. eta vs tors. theta energy: -30.866
Dist. restrs. and SS energy: 0.175 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -401.658096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.658096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.425372 (E_RNA)
where:
Base-Base interactions energy: -273.530
where: short stacking energy: -111.866
Base-Backbone interact. energy: -0.339
local terms energy: -128.556086
where:
bonds (distance) C4'-P energy: -30.269
bonds (distance) P-C4' energy: -19.041
flat angles C4'-P-C4' energy: -29.897
flat angles P-C4'-P energy: -15.527
tors. eta vs tors. theta energy: -33.823
Dist. restrs. and SS energy: 0.767 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -387.375561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.375561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.401936 (E_RNA)
where:
Base-Base interactions energy: -259.901
where: short stacking energy: -107.395
Base-Backbone interact. energy: -0.279
local terms energy: -127.221810
where:
bonds (distance) C4'-P energy: -22.806
bonds (distance) P-C4' energy: -26.426
flat angles C4'-P-C4' energy: -30.755
flat angles P-C4'-P energy: -16.857
tors. eta vs tors. theta energy: -30.377
Dist. restrs. and SS energy: 0.026 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -362.525583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.525583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.101146 (E_RNA)
where:
Base-Base interactions energy: -231.559
where: short stacking energy: -100.086
Base-Backbone interact. energy: -0.287
local terms energy: -131.255136
where:
bonds (distance) C4'-P energy: -23.087
bonds (distance) P-C4' energy: -29.590
flat angles C4'-P-C4' energy: -24.017
flat angles P-C4'-P energy: -20.363
tors. eta vs tors. theta energy: -34.198
Dist. restrs. and SS energy: 0.576 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -357.847491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.847491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.214834 (E_RNA)
where:
Base-Base interactions energy: -233.911
where: short stacking energy: -91.298
Base-Backbone interact. energy: -0.701
local terms energy: -123.602670
where:
bonds (distance) C4'-P energy: -26.506
bonds (distance) P-C4' energy: -25.705
flat angles C4'-P-C4' energy: -27.684
flat angles P-C4'-P energy: -13.309
tors. eta vs tors. theta energy: -30.399
Dist. restrs. and SS energy: 0.367 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -354.435764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.435764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.376818 (E_RNA)
where:
Base-Base interactions energy: -240.023
where: short stacking energy: -98.124
Base-Backbone interact. energy: -1.277
local terms energy: -114.076253
where:
bonds (distance) C4'-P energy: -23.929
bonds (distance) P-C4' energy: -17.552
flat angles C4'-P-C4' energy: -26.444
flat angles P-C4'-P energy: -18.605
tors. eta vs tors. theta energy: -27.547
Dist. restrs. and SS energy: 0.941 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -354.133274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.133274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.568130 (E_RNA)
where:
Base-Base interactions energy: -235.332
where: short stacking energy: -88.594
Base-Backbone interact. energy: 0.097
local terms energy: -119.332842
where:
bonds (distance) C4'-P energy: -17.488
bonds (distance) P-C4' energy: -25.644
flat angles C4'-P-C4' energy: -27.707
flat angles P-C4'-P energy: -22.211
tors. eta vs tors. theta energy: -26.284
Dist. restrs. and SS energy: 0.435 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -338.480084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.480084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.531747 (E_RNA)
where:
Base-Base interactions energy: -223.560
where: short stacking energy: -84.951
Base-Backbone interact. energy: 1.111
local terms energy: -117.082778
where:
bonds (distance) C4'-P energy: -28.354
bonds (distance) P-C4' energy: -27.179
flat angles C4'-P-C4' energy: -25.618
flat angles P-C4'-P energy: -11.030
tors. eta vs tors. theta energy: -24.902
Dist. restrs. and SS energy: 1.052 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -321.197972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.197972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.927191 (E_RNA)
where:
Base-Base interactions energy: -218.819
where: short stacking energy: -86.926
Base-Backbone interact. energy: 4.721
local terms energy: -107.829063
where:
bonds (distance) C4'-P energy: -22.222
bonds (distance) P-C4' energy: -29.074
flat angles C4'-P-C4' energy: -23.708
flat angles P-C4'-P energy: -10.672
tors. eta vs tors. theta energy: -22.153
Dist. restrs. and SS energy: 0.729 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -435.734522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.734522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.073395 (E_RNA)
where:
Base-Base interactions energy: -307.225
where: short stacking energy: -118.459
Base-Backbone interact. energy: -0.412
local terms energy: -128.435451
where:
bonds (distance) C4'-P energy: -27.053
bonds (distance) P-C4' energy: -28.266
flat angles C4'-P-C4' energy: -34.026
flat angles P-C4'-P energy: -13.140
tors. eta vs tors. theta energy: -25.950
Dist. restrs. and SS energy: 0.339 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -419.577622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.577622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.881949 (E_RNA)
where:
Base-Base interactions energy: -288.706
where: short stacking energy: -112.556
Base-Backbone interact. energy: -0.806
local terms energy: -130.370590
where:
bonds (distance) C4'-P energy: -20.954
bonds (distance) P-C4' energy: -26.788
flat angles C4'-P-C4' energy: -30.863
flat angles P-C4'-P energy: -15.863
tors. eta vs tors. theta energy: -35.903
Dist. restrs. and SS energy: 0.304 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -396.953405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.953405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.099120 (E_RNA)
where:
Base-Base interactions energy: -271.876
where: short stacking energy: -119.504
Base-Backbone interact. energy: -0.754
local terms energy: -124.469034
where:
bonds (distance) C4'-P energy: -17.005
bonds (distance) P-C4' energy: -27.060
flat angles C4'-P-C4' energy: -28.923
flat angles P-C4'-P energy: -21.278
tors. eta vs tors. theta energy: -30.203
Dist. restrs. and SS energy: 0.146 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -379.415276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.415276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.504503 (E_RNA)
where:
Base-Base interactions energy: -248.816
where: short stacking energy: -110.372
Base-Backbone interact. energy: -1.384
local terms energy: -129.304218
where:
bonds (distance) C4'-P energy: -23.100
bonds (distance) P-C4' energy: -27.910
flat angles C4'-P-C4' energy: -26.881
flat angles P-C4'-P energy: -20.153
tors. eta vs tors. theta energy: -31.260
Dist. restrs. and SS energy: 0.089 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -359.238160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.238160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.361661 (E_RNA)
where:
Base-Base interactions energy: -236.468
where: short stacking energy: -95.201
Base-Backbone interact. energy: -0.855
local terms energy: -122.038692
where:
bonds (distance) C4'-P energy: -27.470
bonds (distance) P-C4' energy: -26.267
flat angles C4'-P-C4' energy: -27.446
flat angles P-C4'-P energy: -12.733
tors. eta vs tors. theta energy: -28.124
Dist. restrs. and SS energy: 0.124 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -347.787861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.787861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.838985 (E_RNA)
where:
Base-Base interactions energy: -243.101
where: short stacking energy: -99.617
Base-Backbone interact. energy: 0.149
local terms energy: -104.887852
where:
bonds (distance) C4'-P energy: -23.881
bonds (distance) P-C4' energy: -21.568
flat angles C4'-P-C4' energy: -23.778
flat angles P-C4'-P energy: -13.208
tors. eta vs tors. theta energy: -22.453
Dist. restrs. and SS energy: 0.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -348.044185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.044185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.462874 (E_RNA)
where:
Base-Base interactions energy: -237.249
where: short stacking energy: -82.388
Base-Backbone interact. energy: -0.242
local terms energy: -110.972032
where:
bonds (distance) C4'-P energy: -26.286
bonds (distance) P-C4' energy: -25.867
flat angles C4'-P-C4' energy: -23.646
flat angles P-C4'-P energy: -12.006
tors. eta vs tors. theta energy: -23.168
Dist. restrs. and SS energy: 0.419 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -345.314972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.314972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.363947 (E_RNA)
where:
Base-Base interactions energy: -233.164
where: short stacking energy: -89.389
Base-Backbone interact. energy: 3.373
local terms energy: -115.573236
where:
bonds (distance) C4'-P energy: -21.985
bonds (distance) P-C4' energy: -21.467
flat angles C4'-P-C4' energy: -27.911
flat angles P-C4'-P energy: -16.142
tors. eta vs tors. theta energy: -28.069
Dist. restrs. and SS energy: 0.049 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -328.458709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.458709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.735638 (E_RNA)
where:
Base-Base interactions energy: -213.417
where: short stacking energy: -82.431
Base-Backbone interact. energy: -1.287
local terms energy: -114.031797
where:
bonds (distance) C4'-P energy: -27.360
bonds (distance) P-C4' energy: -19.019
flat angles C4'-P-C4' energy: -26.808
flat angles P-C4'-P energy: -16.955
tors. eta vs tors. theta energy: -23.890
Dist. restrs. and SS energy: 0.277 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -326.082168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.082168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.219262 (E_RNA)
where:
Base-Base interactions energy: -222.925
where: short stacking energy: -82.934
Base-Backbone interact. energy: -0.870
local terms energy: -102.424712
where:
bonds (distance) C4'-P energy: -8.522
bonds (distance) P-C4' energy: -27.860
flat angles C4'-P-C4' energy: -24.046
flat angles P-C4'-P energy: -22.096
tors. eta vs tors. theta energy: -19.900
Dist. restrs. and SS energy: 0.137 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -449.704331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.704331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.849846 (E_RNA)
where:
Base-Base interactions energy: -313.025
where: short stacking energy: -122.504
Base-Backbone interact. energy: -0.475
local terms energy: -136.349980
where:
bonds (distance) C4'-P energy: -27.975
bonds (distance) P-C4' energy: -23.554
flat angles C4'-P-C4' energy: -32.298
flat angles P-C4'-P energy: -17.826
tors. eta vs tors. theta energy: -34.696
Dist. restrs. and SS energy: 0.146 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -406.494854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.494854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.773463 (E_RNA)
where:
Base-Base interactions energy: -282.032
where: short stacking energy: -123.127
Base-Backbone interact. energy: 1.454
local terms energy: -126.195295
where:
bonds (distance) C4'-P energy: -23.073
bonds (distance) P-C4' energy: -26.574
flat angles C4'-P-C4' energy: -23.078
flat angles P-C4'-P energy: -20.338
tors. eta vs tors. theta energy: -33.132
Dist. restrs. and SS energy: 0.279 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -381.595194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.595194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.108368 (E_RNA)
where:
Base-Base interactions energy: -248.311
where: short stacking energy: -108.716
Base-Backbone interact. energy: -0.043
local terms energy: -133.754809
where:
bonds (distance) C4'-P energy: -24.233
bonds (distance) P-C4' energy: -31.443
flat angles C4'-P-C4' energy: -31.768
flat angles P-C4'-P energy: -14.928
tors. eta vs tors. theta energy: -31.383
Dist. restrs. and SS energy: 0.513 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -370.651529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.651529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.733332 (E_RNA)
where:
Base-Base interactions energy: -245.825
where: short stacking energy: -105.269
Base-Backbone interact. energy: -1.179
local terms energy: -123.728997
where:
bonds (distance) C4'-P energy: -22.240
bonds (distance) P-C4' energy: -22.563
flat angles C4'-P-C4' energy: -33.075
flat angles P-C4'-P energy: -17.478
tors. eta vs tors. theta energy: -28.373
Dist. restrs. and SS energy: 0.082 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -359.074322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.074322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.488311 (E_RNA)
where:
Base-Base interactions energy: -237.544
where: short stacking energy: -100.462
Base-Backbone interact. energy: 2.713
local terms energy: -124.656782
where:
bonds (distance) C4'-P energy: -27.815
bonds (distance) P-C4' energy: -26.274
flat angles C4'-P-C4' energy: -27.843
flat angles P-C4'-P energy: -19.207
tors. eta vs tors. theta energy: -23.518
Dist. restrs. and SS energy: 0.414 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -352.547556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.547556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.777105 (E_RNA)
where:
Base-Base interactions energy: -234.533
where: short stacking energy: -94.643
Base-Backbone interact. energy: 0.313
local terms energy: -119.557483
where:
bonds (distance) C4'-P energy: -23.902
bonds (distance) P-C4' energy: -20.752
flat angles C4'-P-C4' energy: -32.553
flat angles P-C4'-P energy: -9.078
tors. eta vs tors. theta energy: -33.273
Dist. restrs. and SS energy: 1.230 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -349.373020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.373020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.648604 (E_RNA)
where:
Base-Base interactions energy: -222.314
where: short stacking energy: -96.326
Base-Backbone interact. energy: -0.325
local terms energy: -127.009232
where:
bonds (distance) C4'-P energy: -31.052
bonds (distance) P-C4' energy: -30.368
flat angles C4'-P-C4' energy: -32.637
flat angles P-C4'-P energy: -8.210
tors. eta vs tors. theta energy: -24.743
Dist. restrs. and SS energy: 0.276 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -347.225593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.225593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.814850 (E_RNA)
where:
Base-Base interactions energy: -234.124
where: short stacking energy: -97.383
Base-Backbone interact. energy: 0.414
local terms energy: -114.105471
where:
bonds (distance) C4'-P energy: -15.631
bonds (distance) P-C4' energy: -28.419
flat angles C4'-P-C4' energy: -22.441
flat angles P-C4'-P energy: -16.286
tors. eta vs tors. theta energy: -31.328
Dist. restrs. and SS energy: 0.589 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -321.997196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.997196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.821261 (E_RNA)
where:
Base-Base interactions energy: -224.406
where: short stacking energy: -90.133
Base-Backbone interact. energy: -0.551
local terms energy: -97.864983
where:
bonds (distance) C4'-P energy: -19.683
bonds (distance) P-C4' energy: -20.859
flat angles C4'-P-C4' energy: -26.723
flat angles P-C4'-P energy: -9.096
tors. eta vs tors. theta energy: -21.503
Dist. restrs. and SS energy: 0.824 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -313.123581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.123581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.943972 (E_RNA)
where:
Base-Base interactions energy: -206.879
where: short stacking energy: -83.301
Base-Backbone interact. energy: 0.185
local terms energy: -108.250040
where:
bonds (distance) C4'-P energy: -21.878
bonds (distance) P-C4' energy: -25.400
flat angles C4'-P-C4' energy: -26.049
flat angles P-C4'-P energy: -12.367
tors. eta vs tors. theta energy: -22.556
Dist. restrs. and SS energy: 1.820 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -448.588409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.588409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.771719 (E_RNA)
where:
Base-Base interactions energy: -314.393
where: short stacking energy: -113.550
Base-Backbone interact. energy: -0.745
local terms energy: -133.633616
where:
bonds (distance) C4'-P energy: -28.010
bonds (distance) P-C4' energy: -28.034
flat angles C4'-P-C4' energy: -26.628
flat angles P-C4'-P energy: -16.553
tors. eta vs tors. theta energy: -34.409
Dist. restrs. and SS energy: 0.183 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -400.099248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.099248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.454652 (E_RNA)
where:
Base-Base interactions energy: -275.382
where: short stacking energy: -105.134
Base-Backbone interact. energy: -0.295
local terms energy: -124.777176
where:
bonds (distance) C4'-P energy: -25.779
bonds (distance) P-C4' energy: -25.575
flat angles C4'-P-C4' energy: -27.853
flat angles P-C4'-P energy: -17.947
tors. eta vs tors. theta energy: -27.624
Dist. restrs. and SS energy: 0.355 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -386.921110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.921110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.254622 (E_RNA)
where:
Base-Base interactions energy: -253.423
where: short stacking energy: -108.751
Base-Backbone interact. energy: -0.912
local terms energy: -132.919213
where:
bonds (distance) C4'-P energy: -28.453
bonds (distance) P-C4' energy: -29.026
flat angles C4'-P-C4' energy: -30.091
flat angles P-C4'-P energy: -18.390
tors. eta vs tors. theta energy: -26.960
Dist. restrs. and SS energy: 0.334 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -376.959011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.959011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.488399 (E_RNA)
where:
Base-Base interactions energy: -253.246
where: short stacking energy: -108.480
Base-Backbone interact. energy: -0.431
local terms energy: -123.811134
where:
bonds (distance) C4'-P energy: -30.456
bonds (distance) P-C4' energy: -30.101
flat angles C4'-P-C4' energy: -20.314
flat angles P-C4'-P energy: -14.459
tors. eta vs tors. theta energy: -28.481
Dist. restrs. and SS energy: 0.529 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -364.503232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.503232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.623178 (E_RNA)
where:
Base-Base interactions energy: -243.927
where: short stacking energy: -91.863
Base-Backbone interact. energy: -0.596
local terms energy: -120.100376
where:
bonds (distance) C4'-P energy: -23.177
bonds (distance) P-C4' energy: -26.562
flat angles C4'-P-C4' energy: -29.541
flat angles P-C4'-P energy: -19.468
tors. eta vs tors. theta energy: -21.352
Dist. restrs. and SS energy: 0.120 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -364.853779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.853779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.028823 (E_RNA)
where:
Base-Base interactions energy: -251.907
where: short stacking energy: -100.297
Base-Backbone interact. energy: -0.075
local terms energy: -113.047212
where:
bonds (distance) C4'-P energy: -27.120
bonds (distance) P-C4' energy: -14.742
flat angles C4'-P-C4' energy: -27.294
flat angles P-C4'-P energy: -19.053
tors. eta vs tors. theta energy: -24.839
Dist. restrs. and SS energy: 0.175 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -364.842581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.842581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.881079 (E_RNA)
where:
Base-Base interactions energy: -250.119
where: short stacking energy: -101.639
Base-Backbone interact. energy: -0.169
local terms energy: -114.592796
where:
bonds (distance) C4'-P energy: -25.579
bonds (distance) P-C4' energy: -20.319
flat angles C4'-P-C4' energy: -26.802
flat angles P-C4'-P energy: -11.067
tors. eta vs tors. theta energy: -30.826
Dist. restrs. and SS energy: 0.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -335.873235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.873235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.947579 (E_RNA)
where:
Base-Base interactions energy: -235.277
where: short stacking energy: -90.597
Base-Backbone interact. energy: -0.503
local terms energy: -100.167140
where:
bonds (distance) C4'-P energy: -18.339
bonds (distance) P-C4' energy: -27.478
flat angles C4'-P-C4' energy: -19.389
flat angles P-C4'-P energy: -10.639
tors. eta vs tors. theta energy: -24.322
Dist. restrs. and SS energy: 0.074 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -330.475936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.475936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.881406 (E_RNA)
where:
Base-Base interactions energy: -235.846
where: short stacking energy: -99.322
Base-Backbone interact. energy: 2.955
local terms energy: -97.989531
where:
bonds (distance) C4'-P energy: -15.397
bonds (distance) P-C4' energy: -13.021
flat angles C4'-P-C4' energy: -27.055
flat angles P-C4'-P energy: -20.560
tors. eta vs tors. theta energy: -21.957
Dist. restrs. and SS energy: 0.405 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -324.264399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.264399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.520492 (E_RNA)
where:
Base-Base interactions energy: -211.708
where: short stacking energy: -78.760
Base-Backbone interact. energy: -0.877
local terms energy: -111.935243
where:
bonds (distance) C4'-P energy: -16.224
bonds (distance) P-C4' energy: -26.985
flat angles C4'-P-C4' energy: -31.881
flat angles P-C4'-P energy: -15.483
tors. eta vs tors. theta energy: -21.363
Dist. restrs. and SS energy: 0.256 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -445.518960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.518960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.665217 (E_RNA)
where:
Base-Base interactions energy: -305.893
where: short stacking energy: -117.008
Base-Backbone interact. energy: -0.532
local terms energy: -139.239689
where:
bonds (distance) C4'-P energy: -23.016
bonds (distance) P-C4' energy: -31.387
flat angles C4'-P-C4' energy: -31.733
flat angles P-C4'-P energy: -19.198
tors. eta vs tors. theta energy: -33.905
Dist. restrs. and SS energy: 0.146 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -407.048562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.048562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.158021 (E_RNA)
where:
Base-Base interactions energy: -271.016
where: short stacking energy: -121.740
Base-Backbone interact. energy: -0.800
local terms energy: -135.341659
where:
bonds (distance) C4'-P energy: -30.911
bonds (distance) P-C4' energy: -21.795
flat angles C4'-P-C4' energy: -29.691
flat angles P-C4'-P energy: -14.376
tors. eta vs tors. theta energy: -38.569
Dist. restrs. and SS energy: 0.109 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -393.794428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.794428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.871127 (E_RNA)
where:
Base-Base interactions energy: -266.629
where: short stacking energy: -110.507
Base-Backbone interact. energy: -0.508
local terms energy: -126.733808
where:
bonds (distance) C4'-P energy: -21.341
bonds (distance) P-C4' energy: -25.146
flat angles C4'-P-C4' energy: -27.828
flat angles P-C4'-P energy: -22.271
tors. eta vs tors. theta energy: -30.148
Dist. restrs. and SS energy: 0.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -383.603745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.603745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.123490 (E_RNA)
where:
Base-Base interactions energy: -252.662
where: short stacking energy: -104.478
Base-Backbone interact. energy: -0.062
local terms energy: -131.398941
where:
bonds (distance) C4'-P energy: -27.890
bonds (distance) P-C4' energy: -29.254
flat angles C4'-P-C4' energy: -27.039
flat angles P-C4'-P energy: -19.986
tors. eta vs tors. theta energy: -27.229
Dist. restrs. and SS energy: 0.520 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -373.056261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.056261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.305463 (E_RNA)
where:
Base-Base interactions energy: -243.299
where: short stacking energy: -96.643
Base-Backbone interact. energy: -0.269
local terms energy: -129.737421
where:
bonds (distance) C4'-P energy: -25.909
bonds (distance) P-C4' energy: -28.383
flat angles C4'-P-C4' energy: -26.220
flat angles P-C4'-P energy: -21.097
tors. eta vs tors. theta energy: -28.128
Dist. restrs. and SS energy: 0.249 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -363.770855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.770855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.916702 (E_RNA)
where:
Base-Base interactions energy: -248.619
where: short stacking energy: -103.654
Base-Backbone interact. energy: -0.242
local terms energy: -115.055941
where:
bonds (distance) C4'-P energy: -19.917
bonds (distance) P-C4' energy: -27.470
flat angles C4'-P-C4' energy: -26.934
flat angles P-C4'-P energy: -14.507
tors. eta vs tors. theta energy: -26.228
Dist. restrs. and SS energy: 0.146 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -356.037455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.037455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.306961 (E_RNA)
where:
Base-Base interactions energy: -254.238
where: short stacking energy: -95.441
Base-Backbone interact. energy: -0.144
local terms energy: -101.924985
where:
bonds (distance) C4'-P energy: -19.523
bonds (distance) P-C4' energy: -23.493
flat angles C4'-P-C4' energy: -21.485
flat angles P-C4'-P energy: -15.921
tors. eta vs tors. theta energy: -21.503
Dist. restrs. and SS energy: 0.270 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -339.156513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.156513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.663593 (E_RNA)
where:
Base-Base interactions energy: -218.327
where: short stacking energy: -84.907
Base-Backbone interact. energy: -0.775
local terms energy: -120.561619
where:
bonds (distance) C4'-P energy: -27.306
bonds (distance) P-C4' energy: -26.091
flat angles C4'-P-C4' energy: -25.340
flat angles P-C4'-P energy: -18.953
tors. eta vs tors. theta energy: -22.872
Dist. restrs. and SS energy: 0.507 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -331.928888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.928888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.305477 (E_RNA)
where:
Base-Base interactions energy: -232.523
where: short stacking energy: -92.960
Base-Backbone interact. energy: -1.643
local terms energy: -98.138635
where:
bonds (distance) C4'-P energy: -23.281
bonds (distance) P-C4' energy: -11.837
flat angles C4'-P-C4' energy: -22.238
flat angles P-C4'-P energy: -13.857
tors. eta vs tors. theta energy: -26.926
Dist. restrs. and SS energy: 0.377 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -320.033210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.033210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.401781 (E_RNA)
where:
Base-Base interactions energy: -224.415
where: short stacking energy: -87.431
Base-Backbone interact. energy: -2.128
local terms energy: -93.858247
where:
bonds (distance) C4'-P energy: -18.511
bonds (distance) P-C4' energy: -17.989
flat angles C4'-P-C4' energy: -27.194
flat angles P-C4'-P energy: -7.170
tors. eta vs tors. theta energy: -22.994
Dist. restrs. and SS energy: 0.369 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -448.918791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.918791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.431133 (E_RNA)
where:
Base-Base interactions energy: -316.583
where: short stacking energy: -116.715
Base-Backbone interact. energy: -0.414
local terms energy: -132.433852
where:
bonds (distance) C4'-P energy: -21.427
bonds (distance) P-C4' energy: -26.019
flat angles C4'-P-C4' energy: -30.467
flat angles P-C4'-P energy: -20.211
tors. eta vs tors. theta energy: -34.310
Dist. restrs. and SS energy: 0.512 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -400.139200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.139200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.316293 (E_RNA)
where:
Base-Base interactions energy: -265.031
where: short stacking energy: -108.501
Base-Backbone interact. energy: -0.958
local terms energy: -134.326954
where:
bonds (distance) C4'-P energy: -24.771
bonds (distance) P-C4' energy: -28.962
flat angles C4'-P-C4' energy: -32.140
flat angles P-C4'-P energy: -18.286
tors. eta vs tors. theta energy: -30.169
Dist. restrs. and SS energy: 0.177 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -394.476554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.476554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.595589 (E_RNA)
where:
Base-Base interactions energy: -270.059
where: short stacking energy: -113.582
Base-Backbone interact. energy: 0.345
local terms energy: -124.881705
where:
bonds (distance) C4'-P energy: -20.825
bonds (distance) P-C4' energy: -25.546
flat angles C4'-P-C4' energy: -24.486
flat angles P-C4'-P energy: -19.754
tors. eta vs tors. theta energy: -34.271
Dist. restrs. and SS energy: 0.119 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -391.866684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.866684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.989468 (E_RNA)
where:
Base-Base interactions energy: -271.653
where: short stacking energy: -109.309
Base-Backbone interact. energy: -0.272
local terms energy: -120.064291
where:
bonds (distance) C4'-P energy: -27.214
bonds (distance) P-C4' energy: -21.690
flat angles C4'-P-C4' energy: -29.189
flat angles P-C4'-P energy: -16.156
tors. eta vs tors. theta energy: -25.815
Dist. restrs. and SS energy: 0.123 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -365.743619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.743619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.208576 (E_RNA)
where:
Base-Base interactions energy: -238.144
where: short stacking energy: -92.174
Base-Backbone interact. energy: -0.075
local terms energy: -127.990405
where:
bonds (distance) C4'-P energy: -26.767
bonds (distance) P-C4' energy: -29.568
flat angles C4'-P-C4' energy: -25.240
flat angles P-C4'-P energy: -22.564
tors. eta vs tors. theta energy: -23.851
Dist. restrs. and SS energy: 0.465 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -354.714916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.714916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.785420 (E_RNA)
where:
Base-Base interactions energy: -236.643
where: short stacking energy: -90.574
Base-Backbone interact. energy: -1.064
local terms energy: -117.078992
where:
bonds (distance) C4'-P energy: -26.225
bonds (distance) P-C4' energy: -24.503
flat angles C4'-P-C4' energy: -26.481
flat angles P-C4'-P energy: -17.992
tors. eta vs tors. theta energy: -21.877
Dist. restrs. and SS energy: 0.071 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -359.734342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.734342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.945364 (E_RNA)
where:
Base-Base interactions energy: -254.261
where: short stacking energy: -99.217
Base-Backbone interact. energy: -0.799
local terms energy: -104.885992
where:
bonds (distance) C4'-P energy: -25.173
bonds (distance) P-C4' energy: -20.619
flat angles C4'-P-C4' energy: -24.636
flat angles P-C4'-P energy: -15.526
tors. eta vs tors. theta energy: -18.933
Dist. restrs. and SS energy: 0.211 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -352.815546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.815546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.522458 (E_RNA)
where:
Base-Base interactions energy: -234.691
where: short stacking energy: -95.609
Base-Backbone interact. energy: 1.358
local terms energy: -120.189488
where:
bonds (distance) C4'-P energy: -26.363
bonds (distance) P-C4' energy: -24.421
flat angles C4'-P-C4' energy: -21.704
flat angles P-C4'-P energy: -19.114
tors. eta vs tors. theta energy: -28.588
Dist. restrs. and SS energy: 0.707 (S_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: 325
Temperature: 1.300000
Total energy: -326.660264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.660264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.920191 (E_RNA)
where:
Base-Base interactions energy: -213.616
where: short stacking energy: -80.710
Base-Backbone interact. energy: -0.128
local terms energy: -113.176322
where:
bonds (distance) C4'-P energy: -23.633
bonds (distance) P-C4' energy: -22.547
flat angles C4'-P-C4' energy: -21.888
flat angles P-C4'-P energy: -24.629
tors. eta vs tors. theta energy: -20.479
Dist. restrs. and SS energy: 0.260 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -326.727993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.727993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.410421 (E_RNA)
where:
Base-Base interactions energy: -214.922
where: short stacking energy: -90.924
Base-Backbone interact. energy: -0.018
local terms energy: -112.470651
where:
bonds (distance) C4'-P energy: -21.394
bonds (distance) P-C4' energy: -25.013
flat angles C4'-P-C4' energy: -23.071
flat angles P-C4'-P energy: -13.627
tors. eta vs tors. theta energy: -29.365
Dist. restrs. and SS energy: 0.682 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -447.912960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.912960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.225953 (E_RNA)
where:
Base-Base interactions energy: -305.598
where: short stacking energy: -117.327
Base-Backbone interact. energy: -1.154
local terms energy: -141.473155
where:
bonds (distance) C4'-P energy: -28.961
bonds (distance) P-C4' energy: -32.176
flat angles C4'-P-C4' energy: -29.403
flat angles P-C4'-P energy: -21.758
tors. eta vs tors. theta energy: -29.175
Dist. restrs. and SS energy: 0.313 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -403.143415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.143415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.157945 (E_RNA)
where:
Base-Base interactions energy: -271.129
where: short stacking energy: -116.880
Base-Backbone interact. energy: 2.986
local terms energy: -135.014477
where:
bonds (distance) C4'-P energy: -26.573
bonds (distance) P-C4' energy: -32.480
flat angles C4'-P-C4' energy: -23.587
flat angles P-C4'-P energy: -19.635
tors. eta vs tors. theta energy: -32.739
Dist. restrs. and SS energy: 0.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -393.932949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.932949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.433247 (E_RNA)
where:
Base-Base interactions energy: -272.868
where: short stacking energy: -96.393
Base-Backbone interact. energy: 1.181
local terms energy: -122.746272
where:
bonds (distance) C4'-P energy: -24.315
bonds (distance) P-C4' energy: -27.811
flat angles C4'-P-C4' energy: -28.169
flat angles P-C4'-P energy: -16.894
tors. eta vs tors. theta energy: -25.558
Dist. restrs. and SS energy: 0.500 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -383.440324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.440324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.925279 (E_RNA)
where:
Base-Base interactions energy: -252.344
where: short stacking energy: -113.124
Base-Backbone interact. energy: -0.613
local terms energy: -130.968524
where:
bonds (distance) C4'-P energy: -30.911
bonds (distance) P-C4' energy: -29.469
flat angles C4'-P-C4' energy: -25.507
flat angles P-C4'-P energy: -17.499
tors. eta vs tors. theta energy: -27.582
Dist. restrs. and SS energy: 0.485 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -360.459086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.459086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.255533 (E_RNA)
where:
Base-Base interactions energy: -244.933
where: short stacking energy: -103.737
Base-Backbone interact. energy: -0.257
local terms energy: -116.065736
where:
bonds (distance) C4'-P energy: -24.788
bonds (distance) P-C4' energy: -28.390
flat angles C4'-P-C4' energy: -22.643
flat angles P-C4'-P energy: -13.045
tors. eta vs tors. theta energy: -27.200
Dist. restrs. and SS energy: 0.796 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -347.845432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.845432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.867997 (E_RNA)
where:
Base-Base interactions energy: -225.450
where: short stacking energy: -84.778
Base-Backbone interact. energy: -0.442
local terms energy: -121.975914
where:
bonds (distance) C4'-P energy: -29.310
bonds (distance) P-C4' energy: -29.705
flat angles C4'-P-C4' energy: -20.356
flat angles P-C4'-P energy: -19.867
tors. eta vs tors. theta energy: -22.738
Dist. restrs. and SS energy: 0.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -355.289016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.289016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.426588 (E_RNA)
where:
Base-Base interactions energy: -241.103
where: short stacking energy: -86.621
Base-Backbone interact. energy: -0.468
local terms energy: -113.856138
where:
bonds (distance) C4'-P energy: -19.904
bonds (distance) P-C4' energy: -25.738
flat angles C4'-P-C4' energy: -27.362
flat angles P-C4'-P energy: -19.099
tors. eta vs tors. theta energy: -21.752
Dist. restrs. and SS energy: 0.138 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -363.997786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.997786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.305718 (E_RNA)
where:
Base-Base interactions energy: -237.051
where: short stacking energy: -98.675
Base-Backbone interact. energy: -1.642
local terms energy: -125.613043
where:
bonds (distance) C4'-P energy: -27.492
bonds (distance) P-C4' energy: -24.694
flat angles C4'-P-C4' energy: -24.017
flat angles P-C4'-P energy: -23.642
tors. eta vs tors. theta energy: -25.768
Dist. restrs. and SS energy: 0.308 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -334.313418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.313418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.523250 (E_RNA)
where:
Base-Base interactions energy: -220.210
where: short stacking energy: -87.113
Base-Backbone interact. energy: -0.074
local terms energy: -114.239273
where:
bonds (distance) C4'-P energy: -24.203
bonds (distance) P-C4' energy: -26.479
flat angles C4'-P-C4' energy: -23.971
flat angles P-C4'-P energy: -20.104
tors. eta vs tors. theta energy: -19.482
Dist. restrs. and SS energy: 0.210 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -340.555370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.555370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.888944 (E_RNA)
where:
Base-Base interactions energy: -224.409
where: short stacking energy: -88.664
Base-Backbone interact. energy: -0.259
local terms energy: -116.220854
where:
bonds (distance) C4'-P energy: -21.450
bonds (distance) P-C4' energy: -20.226
flat angles C4'-P-C4' energy: -23.991
flat angles P-C4'-P energy: -18.278
tors. eta vs tors. theta energy: -32.276
Dist. restrs. and SS energy: 0.334 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -446.836197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.836197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.016507 (E_RNA)
where:
Base-Base interactions energy: -318.471
where: short stacking energy: -127.020
Base-Backbone interact. energy: 0.719
local terms energy: -129.264815
where:
bonds (distance) C4'-P energy: -26.461
bonds (distance) P-C4' energy: -26.362
flat angles C4'-P-C4' energy: -29.932
flat angles P-C4'-P energy: -14.654
tors. eta vs tors. theta energy: -31.856
Dist. restrs. and SS energy: 0.180 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -409.006344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.006344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.296167 (E_RNA)
where:
Base-Base interactions energy: -274.642
where: short stacking energy: -120.657
Base-Backbone interact. energy: 0.514
local terms energy: -135.168194
where:
bonds (distance) C4'-P energy: -24.971
bonds (distance) P-C4' energy: -25.555
flat angles C4'-P-C4' energy: -32.717
flat angles P-C4'-P energy: -18.727
tors. eta vs tors. theta energy: -33.199
Dist. restrs. and SS energy: 0.290 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -394.366716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.366716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.679354 (E_RNA)
where:
Base-Base interactions energy: -270.954
where: short stacking energy: -123.092
Base-Backbone interact. energy: 0.490
local terms energy: -124.215136
where:
bonds (distance) C4'-P energy: -19.222
bonds (distance) P-C4' energy: -27.731
flat angles C4'-P-C4' energy: -30.509
flat angles P-C4'-P energy: -15.444
tors. eta vs tors. theta energy: -31.309
Dist. restrs. and SS energy: 0.313 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -362.083547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.083547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.135148 (E_RNA)
where:
Base-Base interactions energy: -237.306
where: short stacking energy: -101.093
Base-Backbone interact. energy: -0.227
local terms energy: -124.601895
where:
bonds (distance) C4'-P energy: -22.486
bonds (distance) P-C4' energy: -28.182
flat angles C4'-P-C4' energy: -26.977
flat angles P-C4'-P energy: -19.854
tors. eta vs tors. theta energy: -27.103
Dist. restrs. and SS energy: 0.052 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -370.733009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.733009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.831747 (E_RNA)
where:
Base-Base interactions energy: -250.695
where: short stacking energy: -93.061
Base-Backbone interact. energy: 1.387
local terms energy: -121.523289
where:
bonds (distance) C4'-P energy: -25.089
bonds (distance) P-C4' energy: -28.632
flat angles C4'-P-C4' energy: -24.511
flat angles P-C4'-P energy: -15.596
tors. eta vs tors. theta energy: -27.696
Dist. restrs. and SS energy: 0.099 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -360.421179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.421179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.306367 (E_RNA)
where:
Base-Base interactions energy: -243.268
where: short stacking energy: -92.593
Base-Backbone interact. energy: -0.577
local terms energy: -117.461724
where:
bonds (distance) C4'-P energy: -24.688
bonds (distance) P-C4' energy: -24.293
flat angles C4'-P-C4' energy: -28.220
flat angles P-C4'-P energy: -16.565
tors. eta vs tors. theta energy: -23.694
Dist. restrs. and SS energy: 0.885 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -368.253950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.253950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.452222 (E_RNA)
where:
Base-Base interactions energy: -249.001
where: short stacking energy: -100.095
Base-Backbone interact. energy: -0.293
local terms energy: -119.158296
where:
bonds (distance) C4'-P energy: -22.817
bonds (distance) P-C4' energy: -24.656
flat angles C4'-P-C4' energy: -29.741
flat angles P-C4'-P energy: -13.803
tors. eta vs tors. theta energy: -28.141
Dist. restrs. and SS energy: 0.198 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -344.614391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.614391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.619922 (E_RNA)
where:
Base-Base interactions energy: -228.581
where: short stacking energy: -96.962
Base-Backbone interact. energy: 0.563
local terms energy: -116.601408
where:
bonds (distance) C4'-P energy: -23.903
bonds (distance) P-C4' energy: -27.363
flat angles C4'-P-C4' energy: -23.854
flat angles P-C4'-P energy: -11.087
tors. eta vs tors. theta energy: -30.395
Dist. restrs. and SS energy: 0.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -317.820536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.820536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.063846 (E_RNA)
where:
Base-Base interactions energy: -214.875
where: short stacking energy: -77.803
Base-Backbone interact. energy: -0.470
local terms energy: -102.719415
where:
bonds (distance) C4'-P energy: -28.903
bonds (distance) P-C4' energy: -25.519
flat angles C4'-P-C4' energy: -22.385
flat angles P-C4'-P energy: -12.375
tors. eta vs tors. theta energy: -13.537
Dist. restrs. and SS energy: 0.243 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -329.368519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.368519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.672483 (E_RNA)
where:
Base-Base interactions energy: -225.440
where: short stacking energy: -90.892
Base-Backbone interact. energy: -1.638
local terms energy: -102.594347
where:
bonds (distance) C4'-P energy: -17.111
bonds (distance) P-C4' energy: -29.767
flat angles C4'-P-C4' energy: -23.031
flat angles P-C4'-P energy: -12.657
tors. eta vs tors. theta energy: -20.029
Dist. restrs. and SS energy: 0.304 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -429.747486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.747486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.018878 (E_RNA)
where:
Base-Base interactions energy: -289.144
where: short stacking energy: -117.138
Base-Backbone interact. energy: -0.172
local terms energy: -140.703378
where:
bonds (distance) C4'-P energy: -26.336
bonds (distance) P-C4' energy: -29.389
flat angles C4'-P-C4' energy: -29.064
flat angles P-C4'-P energy: -23.001
tors. eta vs tors. theta energy: -32.913
Dist. restrs. and SS energy: 0.271 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -407.055675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.055675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.218489 (E_RNA)
where:
Base-Base interactions energy: -266.010
where: short stacking energy: -120.890
Base-Backbone interact. energy: -0.375
local terms energy: -140.833379
where:
bonds (distance) C4'-P energy: -22.193
bonds (distance) P-C4' energy: -34.361
flat angles C4'-P-C4' energy: -31.281
flat angles P-C4'-P energy: -18.153
tors. eta vs tors. theta energy: -34.845
Dist. restrs. and SS energy: 0.163 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -389.685233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.685233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.763896 (E_RNA)
where:
Base-Base interactions energy: -262.375
where: short stacking energy: -109.817
Base-Backbone interact. energy: -1.004
local terms energy: -126.385222
where:
bonds (distance) C4'-P energy: -21.029
bonds (distance) P-C4' energy: -27.800
flat angles C4'-P-C4' energy: -25.769
flat angles P-C4'-P energy: -21.414
tors. eta vs tors. theta energy: -30.372
Dist. restrs. and SS energy: 0.079 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -393.608393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.608393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.619556 (E_RNA)
where:
Base-Base interactions energy: -261.399
where: short stacking energy: -104.181
Base-Backbone interact. energy: 0.385
local terms energy: -132.605883
where:
bonds (distance) C4'-P energy: -23.366
bonds (distance) P-C4' energy: -27.057
flat angles C4'-P-C4' energy: -26.541
flat angles P-C4'-P energy: -23.321
tors. eta vs tors. theta energy: -32.321
Dist. restrs. and SS energy: 0.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -362.026610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.026610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.278534 (E_RNA)
where:
Base-Base interactions energy: -251.160
where: short stacking energy: -99.063
Base-Backbone interact. energy: -0.530
local terms energy: -110.588634
where:
bonds (distance) C4'-P energy: -22.106
bonds (distance) P-C4' energy: -21.925
flat angles C4'-P-C4' energy: -30.495
flat angles P-C4'-P energy: -10.858
tors. eta vs tors. theta energy: -25.205
Dist. restrs. and SS energy: 0.252 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -359.200628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.200628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.525960 (E_RNA)
where:
Base-Base interactions energy: -244.292
where: short stacking energy: -104.157
Base-Backbone interact. energy: -0.716
local terms energy: -114.517186
where:
bonds (distance) C4'-P energy: -22.050
bonds (distance) P-C4' energy: -23.997
flat angles C4'-P-C4' energy: -22.809
flat angles P-C4'-P energy: -15.748
tors. eta vs tors. theta energy: -29.913
Dist. restrs. and SS energy: 0.325 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -354.783802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.783802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.885991 (E_RNA)
where:
Base-Base interactions energy: -242.187
where: short stacking energy: -107.023
Base-Backbone interact. energy: 0.244
local terms energy: -112.942998
where:
bonds (distance) C4'-P energy: -27.002
bonds (distance) P-C4' energy: -20.605
flat angles C4'-P-C4' energy: -20.751
flat angles P-C4'-P energy: -15.059
tors. eta vs tors. theta energy: -29.526
Dist. restrs. and SS energy: 0.102 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -353.123760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.123760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.695600 (E_RNA)
where:
Base-Base interactions energy: -235.436
where: short stacking energy: -93.184
Base-Backbone interact. energy: -0.942
local terms energy: -117.317726
where:
bonds (distance) C4'-P energy: -27.441
bonds (distance) P-C4' energy: -25.282
flat angles C4'-P-C4' energy: -21.978
flat angles P-C4'-P energy: -16.100
tors. eta vs tors. theta energy: -26.516
Dist. restrs. and SS energy: 0.572 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -319.173047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.173047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.560760 (E_RNA)
where:
Base-Base interactions energy: -214.070
where: short stacking energy: -85.359
Base-Backbone interact. energy: -0.274
local terms energy: -105.216922
where:
bonds (distance) C4'-P energy: -20.560
bonds (distance) P-C4' energy: -19.286
flat angles C4'-P-C4' energy: -20.677
flat angles P-C4'-P energy: -20.324
tors. eta vs tors. theta energy: -24.369
Dist. restrs. and SS energy: 0.388 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -301.538614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.538614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.012463 (E_RNA)
where:
Base-Base interactions energy: -200.100
where: short stacking energy: -74.459
Base-Backbone interact. energy: 0.501
local terms energy: -102.413914
where:
bonds (distance) C4'-P energy: -22.134
bonds (distance) P-C4' energy: -23.518
flat angles C4'-P-C4' energy: -26.190
flat angles P-C4'-P energy: -14.102
tors. eta vs tors. theta energy: -16.470
Dist. restrs. and SS energy: 0.474 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -441.011322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.011322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.158728 (E_RNA)
where:
Base-Base interactions energy: -308.873
where: short stacking energy: -113.981
Base-Backbone interact. energy: -0.181
local terms energy: -132.104694
where:
bonds (distance) C4'-P energy: -18.765
bonds (distance) P-C4' energy: -27.952
flat angles C4'-P-C4' energy: -29.969
flat angles P-C4'-P energy: -18.678
tors. eta vs tors. theta energy: -36.740
Dist. restrs. and SS energy: 0.147 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -400.834193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.834193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.940992 (E_RNA)
where:
Base-Base interactions energy: -275.684
where: short stacking energy: -118.603
Base-Backbone interact. energy: -0.704
local terms energy: -124.553103
where:
bonds (distance) C4'-P energy: -26.913
bonds (distance) P-C4' energy: -22.172
flat angles C4'-P-C4' energy: -27.813
flat angles P-C4'-P energy: -13.459
tors. eta vs tors. theta energy: -34.197
Dist. restrs. and SS energy: 0.107 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -379.702209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.702209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.312237 (E_RNA)
where:
Base-Base interactions energy: -256.999
where: short stacking energy: -109.639
Base-Backbone interact. energy: -0.153
local terms energy: -123.159675
where:
bonds (distance) C4'-P energy: -27.322
bonds (distance) P-C4' energy: -27.681
flat angles C4'-P-C4' energy: -24.121
flat angles P-C4'-P energy: -11.881
tors. eta vs tors. theta energy: -32.155
Dist. restrs. and SS energy: 0.610 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -392.746194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.746194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.943057 (E_RNA)
where:
Base-Base interactions energy: -269.010
where: short stacking energy: -109.070
Base-Backbone interact. energy: -0.065
local terms energy: -123.867875
where:
bonds (distance) C4'-P energy: -28.582
bonds (distance) P-C4' energy: -21.135
flat angles C4'-P-C4' energy: -26.808
flat angles P-C4'-P energy: -17.067
tors. eta vs tors. theta energy: -30.276
Dist. restrs. and SS energy: 0.197 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -375.586709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.586709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.819465 (E_RNA)
where:
Base-Base interactions energy: -245.752
where: short stacking energy: -96.620
Base-Backbone interact. energy: -0.266
local terms energy: -129.801758
where:
bonds (distance) C4'-P energy: -27.471
bonds (distance) P-C4' energy: -27.274
flat angles C4'-P-C4' energy: -29.404
flat angles P-C4'-P energy: -19.507
tors. eta vs tors. theta energy: -26.146
Dist. restrs. and SS energy: 0.233 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -356.210458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.210458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.574300 (E_RNA)
where:
Base-Base interactions energy: -233.002
where: short stacking energy: -96.023
Base-Backbone interact. energy: -0.069
local terms energy: -123.503420
where:
bonds (distance) C4'-P energy: -27.588
bonds (distance) P-C4' energy: -28.941
flat angles C4'-P-C4' energy: -26.024
flat angles P-C4'-P energy: -14.722
tors. eta vs tors. theta energy: -26.229
Dist. restrs. and SS energy: 0.364 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -350.343405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.343405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.538724 (E_RNA)
where:
Base-Base interactions energy: -236.463
where: short stacking energy: -100.586
Base-Backbone interact. energy: -0.699
local terms energy: -113.376223
where:
bonds (distance) C4'-P energy: -21.641
bonds (distance) P-C4' energy: -23.310
flat angles C4'-P-C4' energy: -28.393
flat angles P-C4'-P energy: -10.907
tors. eta vs tors. theta energy: -29.125
Dist. restrs. and SS energy: 0.195 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -330.559171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.559171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.679021 (E_RNA)
where:
Base-Base interactions energy: -224.051
where: short stacking energy: -75.948
Base-Backbone interact. energy: -0.806
local terms energy: -105.821945
where:
bonds (distance) C4'-P energy: -18.983
bonds (distance) P-C4' energy: -19.334
flat angles C4'-P-C4' energy: -24.723
flat angles P-C4'-P energy: -20.202
tors. eta vs tors. theta energy: -22.580
Dist. restrs. and SS energy: 0.120 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -340.359098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.359098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.543454 (E_RNA)
where:
Base-Base interactions energy: -237.157
where: short stacking energy: -88.745
Base-Backbone interact. energy: -0.208
local terms energy: -103.177879
where:
bonds (distance) C4'-P energy: -21.513
bonds (distance) P-C4' energy: -23.909
flat angles C4'-P-C4' energy: -21.732
flat angles P-C4'-P energy: -18.083
tors. eta vs tors. theta energy: -17.941
Dist. restrs. and SS energy: 0.184 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -323.879515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.879515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.192905 (E_RNA)
where:
Base-Base interactions energy: -225.148
where: short stacking energy: -89.186
Base-Backbone interact. energy: -0.137
local terms energy: -98.908540
where:
bonds (distance) C4'-P energy: -22.214
bonds (distance) P-C4' energy: -14.983
flat angles C4'-P-C4' energy: -24.685
flat angles P-C4'-P energy: -15.259
tors. eta vs tors. theta energy: -21.768
Dist. restrs. and SS energy: 0.313 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -416.893759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.893759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.977131 (E_RNA)
where:
Base-Base interactions energy: -282.118
where: short stacking energy: -129.389
Base-Backbone interact. energy: -0.311
local terms energy: -134.547636
where:
bonds (distance) C4'-P energy: -24.967
bonds (distance) P-C4' energy: -30.778
flat angles C4'-P-C4' energy: -27.149
flat angles P-C4'-P energy: -18.360
tors. eta vs tors. theta energy: -33.293
Dist. restrs. and SS energy: 0.083 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -432.075907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.075907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.328368 (E_RNA)
where:
Base-Base interactions energy: -304.363
where: short stacking energy: -106.796
Base-Backbone interact. energy: -0.355
local terms energy: -127.610613
where:
bonds (distance) C4'-P energy: -28.373
bonds (distance) P-C4' energy: -24.708
flat angles C4'-P-C4' energy: -25.267
flat angles P-C4'-P energy: -14.384
tors. eta vs tors. theta energy: -34.878
Dist. restrs. and SS energy: 0.252 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -393.379110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.379110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.835737 (E_RNA)
where:
Base-Base interactions energy: -263.815
where: short stacking energy: -109.250
Base-Backbone interact. energy: -0.112
local terms energy: -129.909127
where:
bonds (distance) C4'-P energy: -25.644
bonds (distance) P-C4' energy: -28.872
flat angles C4'-P-C4' energy: -29.222
flat angles P-C4'-P energy: -13.169
tors. eta vs tors. theta energy: -33.001
Dist. restrs. and SS energy: 0.457 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -380.850299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.850299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.965394 (E_RNA)
where:
Base-Base interactions energy: -246.444
where: short stacking energy: -104.198
Base-Backbone interact. energy: -0.387
local terms energy: -134.134207
where:
bonds (distance) C4'-P energy: -29.426
bonds (distance) P-C4' energy: -27.457
flat angles C4'-P-C4' energy: -26.420
flat angles P-C4'-P energy: -19.306
tors. eta vs tors. theta energy: -31.526
Dist. restrs. and SS energy: 0.115 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -380.326213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.326213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.391041 (E_RNA)
where:
Base-Base interactions energy: -261.630
where: short stacking energy: -106.532
Base-Backbone interact. energy: -0.515
local terms energy: -118.245280
where:
bonds (distance) C4'-P energy: -24.329
bonds (distance) P-C4' energy: -27.996
flat angles C4'-P-C4' energy: -24.050
flat angles P-C4'-P energy: -14.940
tors. eta vs tors. theta energy: -26.930
Dist. restrs. and SS energy: 0.065 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -345.802752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.802752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.384074 (E_RNA)
where:
Base-Base interactions energy: -230.951
where: short stacking energy: -88.066
Base-Backbone interact. energy: 0.439
local terms energy: -115.871712
where:
bonds (distance) C4'-P energy: -21.181
bonds (distance) P-C4' energy: -25.505
flat angles C4'-P-C4' energy: -23.055
flat angles P-C4'-P energy: -23.526
tors. eta vs tors. theta energy: -22.604
Dist. restrs. and SS energy: 0.581 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -355.650583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.650583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.927760 (E_RNA)
where:
Base-Base interactions energy: -230.222
where: short stacking energy: -90.990
Base-Backbone interact. energy: -1.468
local terms energy: -124.237456
where:
bonds (distance) C4'-P energy: -23.523
bonds (distance) P-C4' energy: -27.527
flat angles C4'-P-C4' energy: -30.560
flat angles P-C4'-P energy: -16.859
tors. eta vs tors. theta energy: -25.769
Dist. restrs. and SS energy: 0.277 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -335.112304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.112304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.176117 (E_RNA)
where:
Base-Base interactions energy: -231.240
where: short stacking energy: -91.288
Base-Backbone interact. energy: 0.431
local terms energy: -104.367141
where:
bonds (distance) C4'-P energy: -22.482
bonds (distance) P-C4' energy: -22.364
flat angles C4'-P-C4' energy: -24.860
flat angles P-C4'-P energy: -11.493
tors. eta vs tors. theta energy: -23.168
Dist. restrs. and SS energy: 0.064 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -335.895770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.895770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.401943 (E_RNA)
where:
Base-Base interactions energy: -223.673
where: short stacking energy: -82.942
Base-Backbone interact. energy: -0.226
local terms energy: -112.503160
where:
bonds (distance) C4'-P energy: -18.818
bonds (distance) P-C4' energy: -24.023
flat angles C4'-P-C4' energy: -25.700
flat angles P-C4'-P energy: -19.471
tors. eta vs tors. theta energy: -24.492
Dist. restrs. and SS energy: 0.506 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -338.836540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.836540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.240922 (E_RNA)
where:
Base-Base interactions energy: -218.950
where: short stacking energy: -94.924
Base-Backbone interact. energy: -1.383
local terms energy: -118.908238
where:
bonds (distance) C4'-P energy: -22.793
bonds (distance) P-C4' energy: -29.258
flat angles C4'-P-C4' energy: -25.683
flat angles P-C4'-P energy: -15.177
tors. eta vs tors. theta energy: -25.997
Dist. restrs. and SS energy: 0.404 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -412.279263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.279263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.401405 (E_RNA)
where:
Base-Base interactions energy: -279.606
where: short stacking energy: -114.318
Base-Backbone interact. energy: 0.319
local terms energy: -133.114202
where:
bonds (distance) C4'-P energy: -26.238
bonds (distance) P-C4' energy: -26.848
flat angles C4'-P-C4' energy: -28.184
flat angles P-C4'-P energy: -23.996
tors. eta vs tors. theta energy: -27.849
Dist. restrs. and SS energy: 0.122 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -430.346490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.346490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.766585 (E_RNA)
where:
Base-Base interactions energy: -290.225
where: short stacking energy: -110.484
Base-Backbone interact. energy: -0.289
local terms energy: -140.251985
where:
bonds (distance) C4'-P energy: -24.566
bonds (distance) P-C4' energy: -29.162
flat angles C4'-P-C4' energy: -31.382
flat angles P-C4'-P energy: -24.389
tors. eta vs tors. theta energy: -30.752
Dist. restrs. and SS energy: 0.420 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -392.692504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.692504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.781481 (E_RNA)
where:
Base-Base interactions energy: -271.690
where: short stacking energy: -116.302
Base-Backbone interact. energy: 0.232
local terms energy: -121.323824
where:
bonds (distance) C4'-P energy: -19.093
bonds (distance) P-C4' energy: -20.464
flat angles C4'-P-C4' energy: -31.305
flat angles P-C4'-P energy: -10.703
tors. eta vs tors. theta energy: -39.759
Dist. restrs. and SS energy: 0.089 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -381.324427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.324427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.564782 (E_RNA)
where:
Base-Base interactions energy: -256.406
where: short stacking energy: -113.772
Base-Backbone interact. energy: 0.514
local terms energy: -125.671819
where:
bonds (distance) C4'-P energy: -23.673
bonds (distance) P-C4' energy: -28.114
flat angles C4'-P-C4' energy: -28.298
flat angles P-C4'-P energy: -14.567
tors. eta vs tors. theta energy: -31.019
Dist. restrs. and SS energy: 0.240 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -373.503555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.503555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.203765 (E_RNA)
where:
Base-Base interactions energy: -249.949
where: short stacking energy: -98.178
Base-Backbone interact. energy: -1.728
local terms energy: -122.526608
where:
bonds (distance) C4'-P energy: -27.237
bonds (distance) P-C4' energy: -24.870
flat angles C4'-P-C4' energy: -30.934
flat angles P-C4'-P energy: -12.561
tors. eta vs tors. theta energy: -26.924
Dist. restrs. and SS energy: 0.700 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -374.281695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.281695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.515498 (E_RNA)
where:
Base-Base interactions energy: -251.895
where: short stacking energy: -113.817
Base-Backbone interact. energy: 0.560
local terms energy: -123.180086
where:
bonds (distance) C4'-P energy: -23.539
bonds (distance) P-C4' energy: -27.943
flat angles C4'-P-C4' energy: -27.546
flat angles P-C4'-P energy: -9.326
tors. eta vs tors. theta energy: -34.826
Dist. restrs. and SS energy: 0.234 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -336.291504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.291504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.434438 (E_RNA)
where:
Base-Base interactions energy: -232.373
where: short stacking energy: -100.848
Base-Backbone interact. energy: -0.042
local terms energy: -104.019269
where:
bonds (distance) C4'-P energy: -19.899
bonds (distance) P-C4' energy: -20.936
flat angles C4'-P-C4' energy: -27.345
flat angles P-C4'-P energy: -12.984
tors. eta vs tors. theta energy: -22.855
Dist. restrs. and SS energy: 0.143 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -334.602157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.602157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.207725 (E_RNA)
where:
Base-Base interactions energy: -217.843
where: short stacking energy: -83.349
Base-Backbone interact. energy: -0.235
local terms energy: -117.130375
where:
bonds (distance) C4'-P energy: -23.439
bonds (distance) P-C4' energy: -28.798
flat angles C4'-P-C4' energy: -27.136
flat angles P-C4'-P energy: -20.625
tors. eta vs tors. theta energy: -17.133
Dist. restrs. and SS energy: 0.606 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -321.416023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.416023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.822411 (E_RNA)
where:
Base-Base interactions energy: -216.398
where: short stacking energy: -81.892
Base-Backbone interact. energy: 0.577
local terms energy: -106.001930
where:
bonds (distance) C4'-P energy: -24.602
bonds (distance) P-C4' energy: -25.876
flat angles C4'-P-C4' energy: -21.657
flat angles P-C4'-P energy: -17.258
tors. eta vs tors. theta energy: -16.609
Dist. restrs. and SS energy: 0.406 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -328.425664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.425664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.966964 (E_RNA)
where:
Base-Base interactions energy: -222.729
where: short stacking energy: -81.246
Base-Backbone interact. energy: -0.089
local terms energy: -106.149754
where:
bonds (distance) C4'-P energy: -28.451
bonds (distance) P-C4' energy: -20.413
flat angles C4'-P-C4' energy: -23.254
flat angles P-C4'-P energy: -14.616
tors. eta vs tors. theta energy: -19.415
Dist. restrs. and SS energy: 0.541 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -438.736308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.736308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.034625 (E_RNA)
where:
Base-Base interactions energy: -305.762
where: short stacking energy: -110.571
Base-Backbone interact. energy: 0.036
local terms energy: -133.308981
where:
bonds (distance) C4'-P energy: -31.085
bonds (distance) P-C4' energy: -26.928
flat angles C4'-P-C4' energy: -27.518
flat angles P-C4'-P energy: -18.870
tors. eta vs tors. theta energy: -28.908
Dist. restrs. and SS energy: 0.298 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -392.243023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.243023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.323120 (E_RNA)
where:
Base-Base interactions energy: -265.277
where: short stacking energy: -114.427
Base-Backbone interact. energy: 0.779
local terms energy: -127.824945
where:
bonds (distance) C4'-P energy: -28.152
bonds (distance) P-C4' energy: -23.869
flat angles C4'-P-C4' energy: -31.401
flat angles P-C4'-P energy: -13.909
tors. eta vs tors. theta energy: -30.494
Dist. restrs. and SS energy: 0.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -395.324640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.324640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.332342 (E_RNA)
where:
Base-Base interactions energy: -261.312
where: short stacking energy: -111.222
Base-Backbone interact. energy: -1.455
local terms energy: -132.565610
where:
bonds (distance) C4'-P energy: -28.578
bonds (distance) P-C4' energy: -29.141
flat angles C4'-P-C4' energy: -25.605
flat angles P-C4'-P energy: -18.979
tors. eta vs tors. theta energy: -30.262
Dist. restrs. and SS energy: 0.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -390.371037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.371037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.469571 (E_RNA)
where:
Base-Base interactions energy: -263.168
where: short stacking energy: -107.694
Base-Backbone interact. energy: 0.109
local terms energy: -127.411344
where:
bonds (distance) C4'-P energy: -20.876
bonds (distance) P-C4' energy: -24.346
flat angles C4'-P-C4' energy: -32.247
flat angles P-C4'-P energy: -19.598
tors. eta vs tors. theta energy: -30.344
Dist. restrs. and SS energy: 0.099 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -381.140434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.140434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.588012 (E_RNA)
where:
Base-Base interactions energy: -265.199
where: short stacking energy: -101.492
Base-Backbone interact. energy: -2.230
local terms energy: -114.158896
where:
bonds (distance) C4'-P energy: -17.366
bonds (distance) P-C4' energy: -29.554
flat angles C4'-P-C4' energy: -26.561
flat angles P-C4'-P energy: -15.122
tors. eta vs tors. theta energy: -25.556
Dist. restrs. and SS energy: 0.448 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -367.393707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.393707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.537326 (E_RNA)
where:
Base-Base interactions energy: -245.467
where: short stacking energy: -96.829
Base-Backbone interact. energy: -0.749
local terms energy: -121.321896
where:
bonds (distance) C4'-P energy: -23.948
bonds (distance) P-C4' energy: -24.171
flat angles C4'-P-C4' energy: -25.411
flat angles P-C4'-P energy: -19.581
tors. eta vs tors. theta energy: -28.210
Dist. restrs. and SS energy: 0.144 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -352.672163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.672163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.806130 (E_RNA)
where:
Base-Base interactions energy: -239.954
where: short stacking energy: -91.087
Base-Backbone interact. energy: -0.463
local terms energy: -112.388694
where:
bonds (distance) C4'-P energy: -24.187
bonds (distance) P-C4' energy: -26.133
flat angles C4'-P-C4' energy: -24.016
flat angles P-C4'-P energy: -12.570
tors. eta vs tors. theta energy: -25.483
Dist. restrs. and SS energy: 0.134 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -330.708455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.708455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.172086 (E_RNA)
where:
Base-Base interactions energy: -225.830
where: short stacking energy: -82.774
Base-Backbone interact. energy: -0.316
local terms energy: -105.026616
where:
bonds (distance) C4'-P energy: -20.949
bonds (distance) P-C4' energy: -21.386
flat angles C4'-P-C4' energy: -30.733
flat angles P-C4'-P energy: -9.221
tors. eta vs tors. theta energy: -22.738
Dist. restrs. and SS energy: 0.464 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -317.235392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.235392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.390215 (E_RNA)
where:
Base-Base interactions energy: -220.444
where: short stacking energy: -82.843
Base-Backbone interact. energy: 1.085
local terms energy: -98.031590
where:
bonds (distance) C4'-P energy: -27.022
bonds (distance) P-C4' energy: -19.663
flat angles C4'-P-C4' energy: -19.374
flat angles P-C4'-P energy: -15.088
tors. eta vs tors. theta energy: -16.885
Dist. restrs. and SS energy: 0.155 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -334.548133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.548133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.392414 (E_RNA)
where:
Base-Base interactions energy: -220.645
where: short stacking energy: -78.454
Base-Backbone interact. energy: 0.628
local terms energy: -115.376209
where:
bonds (distance) C4'-P energy: -20.876
bonds (distance) P-C4' energy: -20.478
flat angles C4'-P-C4' energy: -28.154
flat angles P-C4'-P energy: -20.697
tors. eta vs tors. theta energy: -25.171
Dist. restrs. and SS energy: 0.844 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -436.443525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.443525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.602630 (E_RNA)
where:
Base-Base interactions energy: -300.862
where: short stacking energy: -118.777
Base-Backbone interact. energy: -1.130
local terms energy: -134.610390
where:
bonds (distance) C4'-P energy: -24.564
bonds (distance) P-C4' energy: -27.248
flat angles C4'-P-C4' energy: -32.986
flat angles P-C4'-P energy: -18.389
tors. eta vs tors. theta energy: -31.424
Dist. restrs. and SS energy: 0.159 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -406.667735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.667735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.797332 (E_RNA)
where:
Base-Base interactions energy: -271.251
where: short stacking energy: -119.372
Base-Backbone interact. energy: -0.775
local terms energy: -134.770699
where:
bonds (distance) C4'-P energy: -24.346
bonds (distance) P-C4' energy: -28.659
flat angles C4'-P-C4' energy: -30.341
flat angles P-C4'-P energy: -19.416
tors. eta vs tors. theta energy: -32.009
Dist. restrs. and SS energy: 0.130 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -373.119806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.119806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.217172 (E_RNA)
where:
Base-Base interactions energy: -247.961
where: short stacking energy: -110.514
Base-Backbone interact. energy: -0.961
local terms energy: -124.294697
where:
bonds (distance) C4'-P energy: -26.130
bonds (distance) P-C4' energy: -26.149
flat angles C4'-P-C4' energy: -24.594
flat angles P-C4'-P energy: -16.061
tors. eta vs tors. theta energy: -31.361
Dist. restrs. and SS energy: 0.097 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -403.644168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.644168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.860126 (E_RNA)
where:
Base-Base interactions energy: -279.910
where: short stacking energy: -107.400
Base-Backbone interact. energy: -0.743
local terms energy: -123.207139
where:
bonds (distance) C4'-P energy: -23.760
bonds (distance) P-C4' energy: -29.159
flat angles C4'-P-C4' energy: -24.473
flat angles P-C4'-P energy: -11.670
tors. eta vs tors. theta energy: -34.145
Dist. restrs. and SS energy: 0.216 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -379.955276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.955276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.086364 (E_RNA)
where:
Base-Base interactions energy: -257.137
where: short stacking energy: -104.469
Base-Backbone interact. energy: 0.529
local terms energy: -123.479143
where:
bonds (distance) C4'-P energy: -25.995
bonds (distance) P-C4' energy: -27.815
flat angles C4'-P-C4' energy: -26.346
flat angles P-C4'-P energy: -12.482
tors. eta vs tors. theta energy: -30.841
Dist. restrs. and SS energy: 0.131 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -374.805507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.805507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.204131 (E_RNA)
where:
Base-Base interactions energy: -246.856
where: short stacking energy: -110.200
Base-Backbone interact. energy: -1.063
local terms energy: -127.284896
where:
bonds (distance) C4'-P energy: -28.741
bonds (distance) P-C4' energy: -25.356
flat angles C4'-P-C4' energy: -29.584
flat angles P-C4'-P energy: -15.407
tors. eta vs tors. theta energy: -28.197
Dist. restrs. and SS energy: 0.399 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -334.114607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.114607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.561494 (E_RNA)
where:
Base-Base interactions energy: -224.923
where: short stacking energy: -90.323
Base-Backbone interact. energy: -1.029
local terms energy: -108.609475
where:
bonds (distance) C4'-P energy: -25.288
bonds (distance) P-C4' energy: -19.184
flat angles C4'-P-C4' energy: -28.945
flat angles P-C4'-P energy: -12.722
tors. eta vs tors. theta energy: -22.471
Dist. restrs. and SS energy: 0.447 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -336.837376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.837376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.336256 (E_RNA)
where:
Base-Base interactions energy: -221.068
where: short stacking energy: -90.516
Base-Backbone interact. energy: -0.290
local terms energy: -115.978289
where:
bonds (distance) C4'-P energy: -25.515
bonds (distance) P-C4' energy: -28.572
flat angles C4'-P-C4' energy: -22.689
flat angles P-C4'-P energy: -15.808
tors. eta vs tors. theta energy: -23.394
Dist. restrs. and SS energy: 0.499 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -337.742756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.742756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.817512 (E_RNA)
where:
Base-Base interactions energy: -234.431
where: short stacking energy: -92.340
Base-Backbone interact. energy: -0.022
local terms energy: -103.364364
where:
bonds (distance) C4'-P energy: -19.175
bonds (distance) P-C4' energy: -17.088
flat angles C4'-P-C4' energy: -25.104
flat angles P-C4'-P energy: -15.771
tors. eta vs tors. theta energy: -26.226
Dist. restrs. and SS energy: 0.075 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -345.434865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.434865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.643787 (E_RNA)
where:
Base-Base interactions energy: -238.637
where: short stacking energy: -97.011
Base-Backbone interact. energy: -0.611
local terms energy: -106.396027
where:
bonds (distance) C4'-P energy: -21.357
bonds (distance) P-C4' energy: -21.274
flat angles C4'-P-C4' energy: -24.044
flat angles P-C4'-P energy: -17.031
tors. eta vs tors. theta energy: -22.689
Dist. restrs. and SS energy: 0.209 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -437.037730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.037730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.451647 (E_RNA)
where:
Base-Base interactions energy: -299.643
where: short stacking energy: -102.476
Base-Backbone interact. energy: -0.481
local terms energy: -137.328135
where:
bonds (distance) C4'-P energy: -29.963
bonds (distance) P-C4' energy: -30.358
flat angles C4'-P-C4' energy: -25.607
flat angles P-C4'-P energy: -22.342
tors. eta vs tors. theta energy: -29.059
Dist. restrs. and SS energy: 0.414 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -406.039727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.039727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.541784 (E_RNA)
where:
Base-Base interactions energy: -272.897
where: short stacking energy: -120.017
Base-Backbone interact. energy: -0.424
local terms energy: -133.220518
where:
bonds (distance) C4'-P energy: -28.711
bonds (distance) P-C4' energy: -27.140
flat angles C4'-P-C4' energy: -25.681
flat angles P-C4'-P energy: -18.815
tors. eta vs tors. theta energy: -32.873
Dist. restrs. and SS energy: 0.502 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -394.760153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.760153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.865676 (E_RNA)
where:
Base-Base interactions energy: -259.192
where: short stacking energy: -113.053
Base-Backbone interact. energy: -0.148
local terms energy: -135.525317
where:
bonds (distance) C4'-P energy: -28.815
bonds (distance) P-C4' energy: -20.750
flat angles C4'-P-C4' energy: -31.118
flat angles P-C4'-P energy: -23.558
tors. eta vs tors. theta energy: -31.283
Dist. restrs. and SS energy: 0.106 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -359.690323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.690323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.379713 (E_RNA)
where:
Base-Base interactions energy: -247.164
where: short stacking energy: -99.757
Base-Backbone interact. energy: -0.524
local terms energy: -112.691029
where:
bonds (distance) C4'-P energy: -26.267
bonds (distance) P-C4' energy: -25.350
flat angles C4'-P-C4' energy: -22.033
flat angles P-C4'-P energy: -15.273
tors. eta vs tors. theta energy: -23.768
Dist. restrs. and SS energy: 0.689 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -372.793561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.793561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.966719 (E_RNA)
where:
Base-Base interactions energy: -254.963
where: short stacking energy: -102.853
Base-Backbone interact. energy: -0.953
local terms energy: -117.051025
where:
bonds (distance) C4'-P energy: -27.281
bonds (distance) P-C4' energy: -24.712
flat angles C4'-P-C4' energy: -27.345
flat angles P-C4'-P energy: -12.490
tors. eta vs tors. theta energy: -25.224
Dist. restrs. and SS energy: 0.173 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -367.370036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.370036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.521472 (E_RNA)
where:
Base-Base interactions energy: -248.322
where: short stacking energy: -116.171
Base-Backbone interact. energy: 0.527
local terms energy: -119.725609
where:
bonds (distance) C4'-P energy: -26.245
bonds (distance) P-C4' energy: -21.670
flat angles C4'-P-C4' energy: -24.029
flat angles P-C4'-P energy: -18.180
tors. eta vs tors. theta energy: -29.602
Dist. restrs. and SS energy: 0.151 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -330.695063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.695063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.097306 (E_RNA)
where:
Base-Base interactions energy: -228.742
where: short stacking energy: -89.447
Base-Backbone interact. energy: 2.242
local terms energy: -104.597307
where:
bonds (distance) C4'-P energy: -23.478
bonds (distance) P-C4' energy: -24.415
flat angles C4'-P-C4' energy: -24.576
flat angles P-C4'-P energy: -11.558
tors. eta vs tors. theta energy: -20.570
Dist. restrs. and SS energy: 0.402 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -338.628758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.628758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.861019 (E_RNA)
where:
Base-Base interactions energy: -224.890
where: short stacking energy: -95.458
Base-Backbone interact. energy: -0.205
local terms energy: -116.765826
where:
bonds (distance) C4'-P energy: -23.883
bonds (distance) P-C4' energy: -30.871
flat angles C4'-P-C4' energy: -25.663
flat angles P-C4'-P energy: -9.420
tors. eta vs tors. theta energy: -26.927
Dist. restrs. and SS energy: 3.232 (S_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: 334
Temperature: 1.300000
Total energy: -343.889288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.889288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.494356 (E_RNA)
where:
Base-Base interactions energy: -225.907
where: short stacking energy: -84.490
Base-Backbone interact. energy: -0.355
local terms energy: -118.232405
where:
bonds (distance) C4'-P energy: -25.309
bonds (distance) P-C4' energy: -22.161
flat angles C4'-P-C4' energy: -28.769
flat angles P-C4'-P energy: -17.149
tors. eta vs tors. theta energy: -24.845
Dist. restrs. and SS energy: 0.605 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -322.757893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.757893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.861675 (E_RNA)
where:
Base-Base interactions energy: -217.859
where: short stacking energy: -83.392
Base-Backbone interact. energy: 1.763
local terms energy: -106.765290
where:
bonds (distance) C4'-P energy: -23.860
bonds (distance) P-C4' energy: -21.563
flat angles C4'-P-C4' energy: -25.231
flat angles P-C4'-P energy: -13.413
tors. eta vs tors. theta energy: -22.699
Dist. restrs. and SS energy: 0.104 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -431.726106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.726106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.777121 (E_RNA)
where:
Base-Base interactions energy: -299.477
where: short stacking energy: -115.249
Base-Backbone interact. energy: -0.428
local terms energy: -131.872011
where:
bonds (distance) C4'-P energy: -23.915
bonds (distance) P-C4' energy: -30.603
flat angles C4'-P-C4' energy: -26.978
flat angles P-C4'-P energy: -16.753
tors. eta vs tors. theta energy: -33.624
Dist. restrs. and SS energy: 0.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -393.221289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.221289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.536939 (E_RNA)
where:
Base-Base interactions energy: -262.430
where: short stacking energy: -107.108
Base-Backbone interact. energy: -1.088
local terms energy: -130.019225
where:
bonds (distance) C4'-P energy: -19.993
bonds (distance) P-C4' energy: -25.606
flat angles C4'-P-C4' energy: -31.026
flat angles P-C4'-P energy: -19.220
tors. eta vs tors. theta energy: -34.175
Dist. restrs. and SS energy: 0.316 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -387.245425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.245425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.242627 (E_RNA)
where:
Base-Base interactions energy: -257.993
where: short stacking energy: -111.178
Base-Backbone interact. energy: 0.463
local terms energy: -130.712375
where:
bonds (distance) C4'-P energy: -30.919
bonds (distance) P-C4' energy: -28.167
flat angles C4'-P-C4' energy: -26.159
flat angles P-C4'-P energy: -11.547
tors. eta vs tors. theta energy: -33.921
Dist. restrs. and SS energy: 0.997 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -377.903532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.903532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.903984 (E_RNA)
where:
Base-Base interactions energy: -256.306
where: short stacking energy: -115.580
Base-Backbone interact. energy: 0.752
local terms energy: -122.350337
where:
bonds (distance) C4'-P energy: -23.435
bonds (distance) P-C4' energy: -24.297
flat angles C4'-P-C4' energy: -28.441
flat angles P-C4'-P energy: -13.870
tors. eta vs tors. theta energy: -32.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -363.811709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.811709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.179040 (E_RNA)
where:
Base-Base interactions energy: -242.207
where: short stacking energy: -104.158
Base-Backbone interact. energy: -0.444
local terms energy: -121.528161
where:
bonds (distance) C4'-P energy: -31.413
bonds (distance) P-C4' energy: -26.837
flat angles C4'-P-C4' energy: -25.330
flat angles P-C4'-P energy: -12.257
tors. eta vs tors. theta energy: -25.691
Dist. restrs. and SS energy: 0.367 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -344.297955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.297955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.695834 (E_RNA)
where:
Base-Base interactions energy: -236.612
where: short stacking energy: -88.217
Base-Backbone interact. energy: 2.641
local terms energy: -110.725408
where:
bonds (distance) C4'-P energy: -18.925
bonds (distance) P-C4' energy: -24.401
flat angles C4'-P-C4' energy: -26.026
flat angles P-C4'-P energy: -17.392
tors. eta vs tors. theta energy: -23.982
Dist. restrs. and SS energy: 0.398 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -350.250396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.250396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.649634 (E_RNA)
where:
Base-Base interactions energy: -240.399
where: short stacking energy: -109.638
Base-Backbone interact. energy: -0.342
local terms energy: -109.908889
where:
bonds (distance) C4'-P energy: -17.937
bonds (distance) P-C4' energy: -26.445
flat angles C4'-P-C4' energy: -29.068
flat angles P-C4'-P energy: -12.243
tors. eta vs tors. theta energy: -24.217
Dist. restrs. and SS energy: 0.399 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -354.309261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.309261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.543487 (E_RNA)
where:
Base-Base interactions energy: -245.140
where: short stacking energy: -90.350
Base-Backbone interact. energy: -0.573
local terms energy: -108.831117
where:
bonds (distance) C4'-P energy: -17.606
bonds (distance) P-C4' energy: -21.018
flat angles C4'-P-C4' energy: -29.735
flat angles P-C4'-P energy: -16.111
tors. eta vs tors. theta energy: -24.360
Dist. restrs. and SS energy: 0.234 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -307.556416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.556416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.476656 (E_RNA)
where:
Base-Base interactions energy: -195.242
where: short stacking energy: -77.804
Base-Backbone interact. energy: -1.387
local terms energy: -116.847660
where:
bonds (distance) C4'-P energy: -23.803
bonds (distance) P-C4' energy: -29.995
flat angles C4'-P-C4' energy: -18.692
flat angles P-C4'-P energy: -17.424
tors. eta vs tors. theta energy: -26.933
Dist. restrs. and SS energy: 5.920 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -311.982534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.982534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.447670 (E_RNA)
where:
Base-Base interactions energy: -206.311
where: short stacking energy: -78.694
Base-Backbone interact. energy: -0.434
local terms energy: -105.703066
where:
bonds (distance) C4'-P energy: -19.655
bonds (distance) P-C4' energy: -23.977
flat angles C4'-P-C4' energy: -24.370
flat angles P-C4'-P energy: -19.091
tors. eta vs tors. theta energy: -18.610
Dist. restrs. and SS energy: 0.465 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -420.486584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.486584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.615130 (E_RNA)
where:
Base-Base interactions energy: -277.215
where: short stacking energy: -116.957
Base-Backbone interact. energy: -1.228
local terms energy: -142.171867
where:
bonds (distance) C4'-P energy: -27.111
bonds (distance) P-C4' energy: -27.144
flat angles C4'-P-C4' energy: -30.138
flat angles P-C4'-P energy: -18.115
tors. eta vs tors. theta energy: -39.664
Dist. restrs. and SS energy: 0.129 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -432.559410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.559410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.592939 (E_RNA)
where:
Base-Base interactions energy: -298.231
where: short stacking energy: -117.918
Base-Backbone interact. energy: -0.370
local terms energy: -133.991774
where:
bonds (distance) C4'-P energy: -20.318
bonds (distance) P-C4' energy: -31.443
flat angles C4'-P-C4' energy: -32.526
flat angles P-C4'-P energy: -16.490
tors. eta vs tors. theta energy: -33.214
Dist. restrs. and SS energy: 0.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -392.458140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.458140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.573094 (E_RNA)
where:
Base-Base interactions energy: -270.390
where: short stacking energy: -112.352
Base-Backbone interact. energy: -0.650
local terms energy: -121.532341
where:
bonds (distance) C4'-P energy: -24.394
bonds (distance) P-C4' energy: -26.186
flat angles C4'-P-C4' energy: -24.656
flat angles P-C4'-P energy: -16.096
tors. eta vs tors. theta energy: -30.201
Dist. restrs. and SS energy: 0.115 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -398.853121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.853121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.921991 (E_RNA)
where:
Base-Base interactions energy: -272.215
where: short stacking energy: -103.612
Base-Backbone interact. energy: -0.478
local terms energy: -126.229318
where:
bonds (distance) C4'-P energy: -30.055
bonds (distance) P-C4' energy: -25.324
flat angles C4'-P-C4' energy: -30.258
flat angles P-C4'-P energy: -12.706
tors. eta vs tors. theta energy: -27.887
Dist. restrs. and SS energy: 0.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -359.185175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.185175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.261950 (E_RNA)
where:
Base-Base interactions energy: -245.530
where: short stacking energy: -107.560
Base-Backbone interact. energy: 0.196
local terms energy: -113.927608
where:
bonds (distance) C4'-P energy: -24.489
bonds (distance) P-C4' energy: -24.763
flat angles C4'-P-C4' energy: -22.937
flat angles P-C4'-P energy: -14.604
tors. eta vs tors. theta energy: -27.135
Dist. restrs. and SS energy: 0.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -341.591159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.591159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.140570 (E_RNA)
where:
Base-Base interactions energy: -227.546
where: short stacking energy: -85.346
Base-Backbone interact. energy: -2.016
local terms energy: -112.579086
where:
bonds (distance) C4'-P energy: -16.772
bonds (distance) P-C4' energy: -29.901
flat angles C4'-P-C4' energy: -30.922
flat angles P-C4'-P energy: -12.056
tors. eta vs tors. theta energy: -22.928
Dist. restrs. and SS energy: 0.549 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -363.604145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.604145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.700210 (E_RNA)
where:
Base-Base interactions energy: -251.696
where: short stacking energy: -94.528
Base-Backbone interact. energy: -0.639
local terms energy: -111.365583
where:
bonds (distance) C4'-P energy: -29.220
bonds (distance) P-C4' energy: -22.217
flat angles C4'-P-C4' energy: -22.780
flat angles P-C4'-P energy: -11.811
tors. eta vs tors. theta energy: -25.338
Dist. restrs. and SS energy: 0.096 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -346.210012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.210012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.390685 (E_RNA)
where:
Base-Base interactions energy: -235.649
where: short stacking energy: -93.267
Base-Backbone interact. energy: 0.151
local terms energy: -110.893018
where:
bonds (distance) C4'-P energy: -25.359
bonds (distance) P-C4' energy: -22.319
flat angles C4'-P-C4' energy: -23.038
flat angles P-C4'-P energy: -18.059
tors. eta vs tors. theta energy: -22.117
Dist. restrs. and SS energy: 0.181 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -322.404791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.404791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.520236 (E_RNA)
where:
Base-Base interactions energy: -217.146
where: short stacking energy: -87.385
Base-Backbone interact. energy: -0.203
local terms energy: -105.171114
where:
bonds (distance) C4'-P energy: -23.020
bonds (distance) P-C4' energy: -25.879
flat angles C4'-P-C4' energy: -25.495
flat angles P-C4'-P energy: -8.754
tors. eta vs tors. theta energy: -22.024
Dist. restrs. and SS energy: 0.115 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -325.124315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.124315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.241329 (E_RNA)
where:
Base-Base interactions energy: -219.691
where: short stacking energy: -81.919
Base-Backbone interact. energy: -2.343
local terms energy: -103.207461
where:
bonds (distance) C4'-P energy: -20.588
bonds (distance) P-C4' energy: -22.881
flat angles C4'-P-C4' energy: -22.269
flat angles P-C4'-P energy: -14.062
tors. eta vs tors. theta energy: -23.407
Dist. restrs. and SS energy: 0.117 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -424.047299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.047299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.362024 (E_RNA)
where:
Base-Base interactions energy: -286.445
where: short stacking energy: -123.045
Base-Backbone interact. energy: -0.648
local terms energy: -137.268957
where:
bonds (distance) C4'-P energy: -23.860
bonds (distance) P-C4' energy: -30.350
flat angles C4'-P-C4' energy: -29.535
flat angles P-C4'-P energy: -16.397
tors. eta vs tors. theta energy: -37.127
Dist. restrs. and SS energy: 0.315 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -426.108699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.108699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.215200 (E_RNA)
where:
Base-Base interactions energy: -298.157
where: short stacking energy: -113.141
Base-Backbone interact. energy: -0.436
local terms energy: -127.621910
where:
bonds (distance) C4'-P energy: -26.222
bonds (distance) P-C4' energy: -30.124
flat angles C4'-P-C4' energy: -30.812
flat angles P-C4'-P energy: -11.585
tors. eta vs tors. theta energy: -28.880
Dist. restrs. and SS energy: 0.107 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -388.240406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.240406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.619104 (E_RNA)
where:
Base-Base interactions energy: -252.344
where: short stacking energy: -116.746
Base-Backbone interact. energy: -1.247
local terms energy: -135.027977
where:
bonds (distance) C4'-P energy: -27.938
bonds (distance) P-C4' energy: -29.258
flat angles C4'-P-C4' energy: -30.159
flat angles P-C4'-P energy: -18.021
tors. eta vs tors. theta energy: -29.651
Dist. restrs. and SS energy: 0.379 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -405.600654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.600654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.996714 (E_RNA)
where:
Base-Base interactions energy: -277.135
where: short stacking energy: -110.075
Base-Backbone interact. energy: -0.486
local terms energy: -128.375800
where:
bonds (distance) C4'-P energy: -23.984
bonds (distance) P-C4' energy: -27.875
flat angles C4'-P-C4' energy: -29.957
flat angles P-C4'-P energy: -16.724
tors. eta vs tors. theta energy: -29.836
Dist. restrs. and SS energy: 0.396 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -356.440155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.440155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.467755 (E_RNA)
where:
Base-Base interactions energy: -241.203
where: short stacking energy: -100.603
Base-Backbone interact. energy: -0.407
local terms energy: -114.857521
where:
bonds (distance) C4'-P energy: -22.090
bonds (distance) P-C4' energy: -28.562
flat angles C4'-P-C4' energy: -25.177
flat angles P-C4'-P energy: -15.086
tors. eta vs tors. theta energy: -23.942
Dist. restrs. and SS energy: 0.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -375.688375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.688375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.930495 (E_RNA)
where:
Base-Base interactions energy: -251.602
where: short stacking energy: -101.590
Base-Backbone interact. energy: -0.718
local terms energy: -123.611370
where:
bonds (distance) C4'-P energy: -27.741
bonds (distance) P-C4' energy: -22.658
flat angles C4'-P-C4' energy: -29.900
flat angles P-C4'-P energy: -14.470
tors. eta vs tors. theta energy: -28.843
Dist. restrs. and SS energy: 0.242 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -342.496191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.496191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.027688 (E_RNA)
where:
Base-Base interactions energy: -229.233
where: short stacking energy: -87.799
Base-Backbone interact. energy: 0.325
local terms energy: -114.120110
where:
bonds (distance) C4'-P energy: -19.910
bonds (distance) P-C4' energy: -25.993
flat angles C4'-P-C4' energy: -32.042
flat angles P-C4'-P energy: -17.893
tors. eta vs tors. theta energy: -18.283
Dist. restrs. and SS energy: 0.531 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -333.731081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.731081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.340915 (E_RNA)
where:
Base-Base interactions energy: -233.064
where: short stacking energy: -98.690
Base-Backbone interact. energy: 0.973
local terms energy: -102.249812
where:
bonds (distance) C4'-P energy: -19.170
bonds (distance) P-C4' energy: -22.478
flat angles C4'-P-C4' energy: -20.939
flat angles P-C4'-P energy: -12.852
tors. eta vs tors. theta energy: -26.811
Dist. restrs. and SS energy: 0.610 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -349.501899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.501899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.696020 (E_RNA)
where:
Base-Base interactions energy: -233.201
where: short stacking energy: -96.824
Base-Backbone interact. energy: -0.338
local terms energy: -116.157682
where:
bonds (distance) C4'-P energy: -22.221
bonds (distance) P-C4' energy: -27.230
flat angles C4'-P-C4' energy: -23.905
flat angles P-C4'-P energy: -12.338
tors. eta vs tors. theta energy: -30.464
Dist. restrs. and SS energy: 0.194 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -293.022277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.022277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.328724 (E_RNA)
where:
Base-Base interactions energy: -204.618
where: short stacking energy: -69.344
Base-Backbone interact. energy: -0.287
local terms energy: -88.423779
where:
bonds (distance) C4'-P energy: -15.440
bonds (distance) P-C4' energy: -26.893
flat angles C4'-P-C4' energy: -17.123
flat angles P-C4'-P energy: -11.227
tors. eta vs tors. theta energy: -17.741
Dist. restrs. and SS energy: 0.306 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -442.276934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.276934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.403789 (E_RNA)
where:
Base-Base interactions energy: -316.979
where: short stacking energy: -115.629
Base-Backbone interact. energy: -0.179
local terms energy: -125.245867
where:
bonds (distance) C4'-P energy: -26.427
bonds (distance) P-C4' energy: -26.386
flat angles C4'-P-C4' energy: -26.231
flat angles P-C4'-P energy: -16.727
tors. eta vs tors. theta energy: -29.475
Dist. restrs. and SS energy: 0.127 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -414.488368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.488368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.702213 (E_RNA)
where:
Base-Base interactions energy: -274.497
where: short stacking energy: -115.016
Base-Backbone interact. energy: -0.145
local terms energy: -140.059798
where:
bonds (distance) C4'-P energy: -28.241
bonds (distance) P-C4' energy: -30.713
flat angles C4'-P-C4' energy: -29.166
flat angles P-C4'-P energy: -19.629
tors. eta vs tors. theta energy: -32.310
Dist. restrs. and SS energy: 0.214 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -394.470767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.470767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.755321 (E_RNA)
where:
Base-Base interactions energy: -273.778
where: short stacking energy: -120.785
Base-Backbone interact. energy: -0.529
local terms energy: -121.447623
where:
bonds (distance) C4'-P energy: -24.703
bonds (distance) P-C4' energy: -19.347
flat angles C4'-P-C4' energy: -28.776
flat angles P-C4'-P energy: -14.607
tors. eta vs tors. theta energy: -34.015
Dist. restrs. and SS energy: 1.285 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -386.161213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.161213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.467482 (E_RNA)
where:
Base-Base interactions energy: -265.830
where: short stacking energy: -98.207
Base-Backbone interact. energy: -0.126
local terms energy: -120.511610
where:
bonds (distance) C4'-P energy: -22.623
bonds (distance) P-C4' energy: -27.128
flat angles C4'-P-C4' energy: -28.410
flat angles P-C4'-P energy: -18.381
tors. eta vs tors. theta energy: -23.970
Dist. restrs. and SS energy: 0.306 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -373.511355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.511355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.595560 (E_RNA)
where:
Base-Base interactions energy: -249.609
where: short stacking energy: -94.191
Base-Backbone interact. energy: -0.470
local terms energy: -123.516217
where:
bonds (distance) C4'-P energy: -25.377
bonds (distance) P-C4' energy: -26.714
flat angles C4'-P-C4' energy: -29.209
flat angles P-C4'-P energy: -19.882
tors. eta vs tors. theta energy: -22.334
Dist. restrs. and SS energy: 0.084 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -345.143265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.143265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.804388 (E_RNA)
where:
Base-Base interactions energy: -224.585
where: short stacking energy: -98.356
Base-Backbone interact. energy: -0.811
local terms energy: -120.408578
where:
bonds (distance) C4'-P energy: -25.944
bonds (distance) P-C4' energy: -22.016
flat angles C4'-P-C4' energy: -26.777
flat angles P-C4'-P energy: -18.856
tors. eta vs tors. theta energy: -26.816
Dist. restrs. and SS energy: 0.661 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -350.140352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.140352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.416284 (E_RNA)
where:
Base-Base interactions energy: -226.595
where: short stacking energy: -93.247
Base-Backbone interact. energy: -0.130
local terms energy: -123.691908
where:
bonds (distance) C4'-P energy: -26.602
bonds (distance) P-C4' energy: -23.242
flat angles C4'-P-C4' energy: -28.701
flat angles P-C4'-P energy: -18.693
tors. eta vs tors. theta energy: -26.454
Dist. restrs. and SS energy: 0.276 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -318.451519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.451519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.986235 (E_RNA)
where:
Base-Base interactions energy: -214.841
where: short stacking energy: -86.489
Base-Backbone interact. energy: -0.309
local terms energy: -103.836056
where:
bonds (distance) C4'-P energy: -22.184
bonds (distance) P-C4' energy: -23.880
flat angles C4'-P-C4' energy: -25.544
flat angles P-C4'-P energy: -12.648
tors. eta vs tors. theta energy: -19.580
Dist. restrs. and SS energy: 0.535 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -338.881354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.881354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.966861 (E_RNA)
where:
Base-Base interactions energy: -230.605
where: short stacking energy: -91.200
Base-Backbone interact. energy: 2.966
local terms energy: -111.327497
where:
bonds (distance) C4'-P energy: -26.432
bonds (distance) P-C4' energy: -27.167
flat angles C4'-P-C4' energy: -16.019
flat angles P-C4'-P energy: -16.481
tors. eta vs tors. theta energy: -25.230
Dist. restrs. and SS energy: 0.086 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -302.001042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.001042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.260467 (E_RNA)
where:
Base-Base interactions energy: -201.506
where: short stacking energy: -71.301
Base-Backbone interact. energy: -0.180
local terms energy: -100.573981
where:
bonds (distance) C4'-P energy: -18.272
bonds (distance) P-C4' energy: -23.971
flat angles C4'-P-C4' energy: -21.117
flat angles P-C4'-P energy: -17.304
tors. eta vs tors. theta energy: -19.911
Dist. restrs. and SS energy: 0.259 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -442.161812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.161812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.481759 (E_RNA)
where:
Base-Base interactions energy: -301.192
where: short stacking energy: -118.935
Base-Backbone interact. energy: 1.246
local terms energy: -142.535657
where:
bonds (distance) C4'-P energy: -27.070
bonds (distance) P-C4' energy: -26.483
flat angles C4'-P-C4' energy: -30.171
flat angles P-C4'-P energy: -25.276
tors. eta vs tors. theta energy: -33.536
Dist. restrs. and SS energy: 0.320 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -415.799636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.799636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.926945 (E_RNA)
where:
Base-Base interactions energy: -281.908
where: short stacking energy: -113.923
Base-Backbone interact. energy: -0.360
local terms energy: -133.658775
where:
bonds (distance) C4'-P energy: -27.832
bonds (distance) P-C4' energy: -27.930
flat angles C4'-P-C4' energy: -27.002
flat angles P-C4'-P energy: -15.016
tors. eta vs tors. theta energy: -35.879
Dist. restrs. and SS energy: 0.127 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -401.254779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.254779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.476679 (E_RNA)
where:
Base-Base interactions energy: -265.274
where: short stacking energy: -104.804
Base-Backbone interact. energy: -0.537
local terms energy: -135.665581
where:
bonds (distance) C4'-P energy: -22.718
bonds (distance) P-C4' energy: -27.064
flat angles C4'-P-C4' energy: -30.282
flat angles P-C4'-P energy: -22.896
tors. eta vs tors. theta energy: -32.705
Dist. restrs. and SS energy: 0.222 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -394.416288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.416288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.918918 (E_RNA)
where:
Base-Base interactions energy: -272.333
where: short stacking energy: -101.304
Base-Backbone interact. energy: -0.429
local terms energy: -122.156452
where:
bonds (distance) C4'-P energy: -28.112
bonds (distance) P-C4' energy: -23.818
flat angles C4'-P-C4' energy: -24.329
flat angles P-C4'-P energy: -17.992
tors. eta vs tors. theta energy: -27.906
Dist. restrs. and SS energy: 0.503 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -367.785417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.785417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.371485 (E_RNA)
where:
Base-Base interactions energy: -247.017
where: short stacking energy: -96.599
Base-Backbone interact. energy: -0.822
local terms energy: -120.532446
where:
bonds (distance) C4'-P energy: -28.543
bonds (distance) P-C4' energy: -24.176
flat angles C4'-P-C4' energy: -24.392
flat angles P-C4'-P energy: -15.287
tors. eta vs tors. theta energy: -28.135
Dist. restrs. and SS energy: 0.586 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -336.750285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.750285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.919229 (E_RNA)
where:
Base-Base interactions energy: -219.720
where: short stacking energy: -80.834
Base-Backbone interact. energy: -1.414
local terms energy: -115.784986
where:
bonds (distance) C4'-P energy: -26.862
bonds (distance) P-C4' energy: -30.037
flat angles C4'-P-C4' energy: -26.981
flat angles P-C4'-P energy: -10.083
tors. eta vs tors. theta energy: -21.821
Dist. restrs. and SS energy: 0.169 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -335.072709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.072709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.138283 (E_RNA)
where:
Base-Base interactions energy: -228.717
where: short stacking energy: -87.773
Base-Backbone interact. energy: -0.850
local terms energy: -105.571758
where:
bonds (distance) C4'-P energy: -22.951
bonds (distance) P-C4' energy: -25.335
flat angles C4'-P-C4' energy: -25.122
flat angles P-C4'-P energy: -14.627
tors. eta vs tors. theta energy: -17.537
Dist. restrs. and SS energy: 0.066 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -343.634566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.634566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.776616 (E_RNA)
where:
Base-Base interactions energy: -240.008
where: short stacking energy: -99.049
Base-Backbone interact. energy: -0.593
local terms energy: -103.175504
where:
bonds (distance) C4'-P energy: -20.096
bonds (distance) P-C4' energy: -19.346
flat angles C4'-P-C4' energy: -29.063
flat angles P-C4'-P energy: -7.290
tors. eta vs tors. theta energy: -27.380
Dist. restrs. and SS energy: 0.142 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -306.332101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.332101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.794470 (E_RNA)
where:
Base-Base interactions energy: -201.888
where: short stacking energy: -74.705
Base-Backbone interact. energy: 0.277
local terms energy: -105.183374
where:
bonds (distance) C4'-P energy: -21.704
bonds (distance) P-C4' energy: -29.302
flat angles C4'-P-C4' energy: -25.692
flat angles P-C4'-P energy: -13.789
tors. eta vs tors. theta energy: -14.696
Dist. restrs. and SS energy: 0.462 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -316.313532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.313532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.060111 (E_RNA)
where:
Base-Base interactions energy: -217.317
where: short stacking energy: -72.876
Base-Backbone interact. energy: 1.933
local terms energy: -101.676516
where:
bonds (distance) C4'-P energy: -25.966
bonds (distance) P-C4' energy: -20.387
flat angles C4'-P-C4' energy: -26.508
flat angles P-C4'-P energy: -9.902
tors. eta vs tors. theta energy: -18.914
Dist. restrs. and SS energy: 0.747 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -446.505427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.505427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.745964 (E_RNA)
where:
Base-Base interactions energy: -311.692
where: short stacking energy: -113.509
Base-Backbone interact. energy: -0.265
local terms energy: -134.789613
where:
bonds (distance) C4'-P energy: -24.157
bonds (distance) P-C4' energy: -27.749
flat angles C4'-P-C4' energy: -30.359
flat angles P-C4'-P energy: -19.242
tors. eta vs tors. theta energy: -33.283
Dist. restrs. and SS energy: 0.241 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -415.048392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.048392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.134437 (E_RNA)
where:
Base-Base interactions energy: -283.470
where: short stacking energy: -116.003
Base-Backbone interact. energy: -2.853
local terms energy: -128.811518
where:
bonds (distance) C4'-P energy: -27.124
bonds (distance) P-C4' energy: -28.685
flat angles C4'-P-C4' energy: -25.414
flat angles P-C4'-P energy: -15.807
tors. eta vs tors. theta energy: -31.781
Dist. restrs. and SS energy: 0.086 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -393.798140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.798140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.911467 (E_RNA)
where:
Base-Base interactions energy: -257.468
where: short stacking energy: -103.123
Base-Backbone interact. energy: -0.761
local terms energy: -135.682265
where:
bonds (distance) C4'-P energy: -29.539
bonds (distance) P-C4' energy: -30.576
flat angles C4'-P-C4' energy: -25.965
flat angles P-C4'-P energy: -16.084
tors. eta vs tors. theta energy: -33.518
Dist. restrs. and SS energy: 0.113 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -387.312459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.312459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.434085 (E_RNA)
where:
Base-Base interactions energy: -263.258
where: short stacking energy: -104.837
Base-Backbone interact. energy: -1.550
local terms energy: -122.626052
where:
bonds (distance) C4'-P energy: -29.229
bonds (distance) P-C4' energy: -21.242
flat angles C4'-P-C4' energy: -29.294
flat angles P-C4'-P energy: -19.026
tors. eta vs tors. theta energy: -23.834
Dist. restrs. and SS energy: 0.122 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -362.093395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.093395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.379975 (E_RNA)
where:
Base-Base interactions energy: -245.634
where: short stacking energy: -101.937
Base-Backbone interact. energy: 0.828
local terms energy: -117.573878
where:
bonds (distance) C4'-P energy: -25.254
bonds (distance) P-C4' energy: -24.364
flat angles C4'-P-C4' energy: -21.690
flat angles P-C4'-P energy: -19.041
tors. eta vs tors. theta energy: -27.224
Dist. restrs. and SS energy: 0.287 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -369.732131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.732131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.100027 (E_RNA)
where:
Base-Base interactions energy: -256.792
where: short stacking energy: -112.693
Base-Backbone interact. energy: -0.804
local terms energy: -112.504827
where:
bonds (distance) C4'-P energy: -27.106
bonds (distance) P-C4' energy: -16.360
flat angles C4'-P-C4' energy: -24.019
flat angles P-C4'-P energy: -13.312
tors. eta vs tors. theta energy: -31.709
Dist. restrs. and SS energy: 0.368 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -349.260864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.260864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.540530 (E_RNA)
where:
Base-Base interactions energy: -233.740
where: short stacking energy: -88.427
Base-Backbone interact. energy: -0.336
local terms energy: -115.464730
where:
bonds (distance) C4'-P energy: -21.659
bonds (distance) P-C4' energy: -28.533
flat angles C4'-P-C4' energy: -22.521
flat angles P-C4'-P energy: -20.754
tors. eta vs tors. theta energy: -21.998
Dist. restrs. and SS energy: 0.280 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -334.324135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.324135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.578505 (E_RNA)
where:
Base-Base interactions energy: -233.971
where: short stacking energy: -89.087
Base-Backbone interact. energy: -0.403
local terms energy: -100.204024
where:
bonds (distance) C4'-P energy: -16.020
bonds (distance) P-C4' energy: -29.029
flat angles C4'-P-C4' energy: -20.658
flat angles P-C4'-P energy: -13.260
tors. eta vs tors. theta energy: -21.237
Dist. restrs. and SS energy: 0.254 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -319.038348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.038348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.243073 (E_RNA)
where:
Base-Base interactions energy: -220.630
where: short stacking energy: -86.327
Base-Backbone interact. energy: -0.256
local terms energy: -98.357274
where:
bonds (distance) C4'-P energy: -16.313
bonds (distance) P-C4' energy: -23.377
flat angles C4'-P-C4' energy: -19.022
flat angles P-C4'-P energy: -15.252
tors. eta vs tors. theta energy: -24.394
Dist. restrs. and SS energy: 0.205 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -297.145206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.145206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.454704 (E_RNA)
where:
Base-Base interactions energy: -202.294
where: short stacking energy: -67.054
Base-Backbone interact. energy: 0.339
local terms energy: -95.499347
where:
bonds (distance) C4'-P energy: -22.352
bonds (distance) P-C4' energy: -25.004
flat angles C4'-P-C4' energy: -22.270
flat angles P-C4'-P energy: -13.476
tors. eta vs tors. theta energy: -12.398
Dist. restrs. and SS energy: 0.309 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -427.934986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.934986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.555027 (E_RNA)
where:
Base-Base interactions energy: -294.770
where: short stacking energy: -109.130
Base-Backbone interact. energy: -0.018
local terms energy: -133.766954
where:
bonds (distance) C4'-P energy: -26.825
bonds (distance) P-C4' energy: -33.240
flat angles C4'-P-C4' energy: -22.873
flat angles P-C4'-P energy: -22.612
tors. eta vs tors. theta energy: -28.216
Dist. restrs. and SS energy: 0.620 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -411.669093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.669093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.947749 (E_RNA)
where:
Base-Base interactions energy: -271.593
where: short stacking energy: -116.144
Base-Backbone interact. energy: -0.800
local terms energy: -139.554703
where:
bonds (distance) C4'-P energy: -26.159
bonds (distance) P-C4' energy: -29.294
flat angles C4'-P-C4' energy: -31.765
flat angles P-C4'-P energy: -17.369
tors. eta vs tors. theta energy: -34.968
Dist. restrs. and SS energy: 0.279 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -406.481622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.481622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.685145 (E_RNA)
where:
Base-Base interactions energy: -260.960
where: short stacking energy: -114.755
Base-Backbone interact. energy: -1.044
local terms energy: -144.681291
where:
bonds (distance) C4'-P energy: -29.329
bonds (distance) P-C4' energy: -28.591
flat angles C4'-P-C4' energy: -31.187
flat angles P-C4'-P energy: -19.573
tors. eta vs tors. theta energy: -36.001
Dist. restrs. and SS energy: 0.204 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -392.262918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.262918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.980959 (E_RNA)
where:
Base-Base interactions energy: -259.574
where: short stacking energy: -107.306
Base-Backbone interact. energy: -0.506
local terms energy: -132.901327
where:
bonds (distance) C4'-P energy: -30.287
bonds (distance) P-C4' energy: -24.441
flat angles C4'-P-C4' energy: -27.444
flat angles P-C4'-P energy: -19.145
tors. eta vs tors. theta energy: -31.583
Dist. restrs. and SS energy: 0.718 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -362.608897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.608897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.348620 (E_RNA)
where:
Base-Base interactions energy: -241.249
where: short stacking energy: -103.519
Base-Backbone interact. energy: -0.573
local terms energy: -121.526531
where:
bonds (distance) C4'-P energy: -20.071
bonds (distance) P-C4' energy: -29.126
flat angles C4'-P-C4' energy: -27.349
flat angles P-C4'-P energy: -21.132
tors. eta vs tors. theta energy: -23.848
Dist. restrs. and SS energy: 0.740 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -345.091091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.091091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.379767 (E_RNA)
where:
Base-Base interactions energy: -237.486
where: short stacking energy: -92.986
Base-Backbone interact. energy: -0.684
local terms energy: -107.209675
where:
bonds (distance) C4'-P energy: -17.866
bonds (distance) P-C4' energy: -24.595
flat angles C4'-P-C4' energy: -27.337
flat angles P-C4'-P energy: -12.721
tors. eta vs tors. theta energy: -24.690
Dist. restrs. and SS energy: 0.289 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -345.265162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.265162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.045331 (E_RNA)
where:
Base-Base interactions energy: -234.412
where: short stacking energy: -94.905
Base-Backbone interact. energy: -0.507
local terms energy: -111.126498
where:
bonds (distance) C4'-P energy: -18.086
bonds (distance) P-C4' energy: -27.722
flat angles C4'-P-C4' energy: -32.849
flat angles P-C4'-P energy: -10.978
tors. eta vs tors. theta energy: -21.491
Dist. restrs. and SS energy: 0.780 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -334.356700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.356700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.917041 (E_RNA)
where:
Base-Base interactions energy: -226.475
where: short stacking energy: -93.033
Base-Backbone interact. energy: -0.837
local terms energy: -107.604419
where:
bonds (distance) C4'-P energy: -22.996
bonds (distance) P-C4' energy: -23.118
flat angles C4'-P-C4' energy: -24.743
flat angles P-C4'-P energy: -14.009
tors. eta vs tors. theta energy: -22.739
Dist. restrs. and SS energy: 0.560 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -303.518945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.518945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.760070 (E_RNA)
where:
Base-Base interactions energy: -201.167
where: short stacking energy: -77.762
Base-Backbone interact. energy: 0.726
local terms energy: -103.318215
where:
bonds (distance) C4'-P energy: -19.845
bonds (distance) P-C4' energy: -27.352
flat angles C4'-P-C4' energy: -20.560
flat angles P-C4'-P energy: -17.007
tors. eta vs tors. theta energy: -18.555
Dist. restrs. and SS energy: 0.241 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -307.436334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.436334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.978280 (E_RNA)
where:
Base-Base interactions energy: -213.003
where: short stacking energy: -73.056
Base-Backbone interact. energy: 0.606
local terms energy: -95.581563
where:
bonds (distance) C4'-P energy: -24.595
bonds (distance) P-C4' energy: -22.417
flat angles C4'-P-C4' energy: -13.849
flat angles P-C4'-P energy: -15.764
tors. eta vs tors. theta energy: -18.956
Dist. restrs. and SS energy: 0.542 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -429.653193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.653193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.066051 (E_RNA)
where:
Base-Base interactions energy: -300.911
where: short stacking energy: -110.083
Base-Backbone interact. energy: -0.534
local terms energy: -128.621288
where:
bonds (distance) C4'-P energy: -27.633
bonds (distance) P-C4' energy: -24.804
flat angles C4'-P-C4' energy: -26.944
flat angles P-C4'-P energy: -19.064
tors. eta vs tors. theta energy: -30.176
Dist. restrs. and SS energy: 0.413 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -407.428368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.428368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.855622 (E_RNA)
where:
Base-Base interactions energy: -260.318
where: short stacking energy: -120.426
Base-Backbone interact. energy: -0.999
local terms energy: -146.538535
where:
bonds (distance) C4'-P energy: -28.360
bonds (distance) P-C4' energy: -31.350
flat angles C4'-P-C4' energy: -34.604
flat angles P-C4'-P energy: -18.963
tors. eta vs tors. theta energy: -33.261
Dist. restrs. and SS energy: 0.427 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -392.153195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.153195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.519862 (E_RNA)
where:
Base-Base interactions energy: -255.882
where: short stacking energy: -116.183
Base-Backbone interact. energy: 0.070
local terms energy: -136.708466
where:
bonds (distance) C4'-P energy: -28.373
bonds (distance) P-C4' energy: -26.404
flat angles C4'-P-C4' energy: -30.691
flat angles P-C4'-P energy: -17.828
tors. eta vs tors. theta energy: -33.413
Dist. restrs. and SS energy: 0.367 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -389.666827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.666827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.729762 (E_RNA)
where:
Base-Base interactions energy: -263.899
where: short stacking energy: -94.468
Base-Backbone interact. energy: -0.663
local terms energy: -125.167666
where:
bonds (distance) C4'-P energy: -31.322
bonds (distance) P-C4' energy: -20.630
flat angles C4'-P-C4' energy: -26.740
flat angles P-C4'-P energy: -16.057
tors. eta vs tors. theta energy: -30.418
Dist. restrs. and SS energy: 0.063 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -364.827152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.827152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.081343 (E_RNA)
where:
Base-Base interactions energy: -247.958
where: short stacking energy: -93.387
Base-Backbone interact. energy: -1.109
local terms energy: -116.013755
where:
bonds (distance) C4'-P energy: -22.125
bonds (distance) P-C4' energy: -24.603
flat angles C4'-P-C4' energy: -29.719
flat angles P-C4'-P energy: -15.093
tors. eta vs tors. theta energy: -24.474
Dist. restrs. and SS energy: 0.254 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -356.647635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.647635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.974033 (E_RNA)
where:
Base-Base interactions energy: -244.606
where: short stacking energy: -102.973
Base-Backbone interact. energy: -0.199
local terms energy: -112.168297
where:
bonds (distance) C4'-P energy: -23.767
bonds (distance) P-C4' energy: -19.389
flat angles C4'-P-C4' energy: -23.670
flat angles P-C4'-P energy: -17.701
tors. eta vs tors. theta energy: -27.642
Dist. restrs. and SS energy: 0.326 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -339.175981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.175981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.404897 (E_RNA)
where:
Base-Base interactions energy: -245.914
where: short stacking energy: -100.087
Base-Backbone interact. energy: -0.017
local terms energy: -93.474082
where:
bonds (distance) C4'-P energy: -20.412
bonds (distance) P-C4' energy: -22.321
flat angles C4'-P-C4' energy: -18.143
flat angles P-C4'-P energy: -7.654
tors. eta vs tors. theta energy: -24.945
Dist. restrs. and SS energy: 0.229 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -356.787495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.787495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.805101 (E_RNA)
where:
Base-Base interactions energy: -246.662
where: short stacking energy: -92.137
Base-Backbone interact. energy: -0.824
local terms energy: -109.319094
where:
bonds (distance) C4'-P energy: -21.194
bonds (distance) P-C4' energy: -23.039
flat angles C4'-P-C4' energy: -19.354
flat angles P-C4'-P energy: -18.654
tors. eta vs tors. theta energy: -27.079
Dist. restrs. and SS energy: 0.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -302.631130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.631130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.193738 (E_RNA)
where:
Base-Base interactions energy: -189.170
where: short stacking energy: -67.872
Base-Backbone interact. energy: 0.779
local terms energy: -114.802431
where:
bonds (distance) C4'-P energy: -27.364
bonds (distance) P-C4' energy: -22.394
flat angles C4'-P-C4' energy: -29.124
flat angles P-C4'-P energy: -19.822
tors. eta vs tors. theta energy: -16.099
Dist. restrs. and SS energy: 0.563 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -312.795061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.795061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.060651 (E_RNA)
where:
Base-Base interactions energy: -213.480
where: short stacking energy: -78.621
Base-Backbone interact. energy: 0.028
local terms energy: -100.608348
where:
bonds (distance) C4'-P energy: -19.335
bonds (distance) P-C4' energy: -24.883
flat angles C4'-P-C4' energy: -21.562
flat angles P-C4'-P energy: -13.841
tors. eta vs tors. theta energy: -20.987
Dist. restrs. and SS energy: 1.266 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -445.934709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.934709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.449197 (E_RNA)
where:
Base-Base interactions energy: -308.818
where: short stacking energy: -118.174
Base-Backbone interact. energy: 0.151
local terms energy: -137.782133
where:
bonds (distance) C4'-P energy: -28.848
bonds (distance) P-C4' energy: -28.327
flat angles C4'-P-C4' energy: -30.937
flat angles P-C4'-P energy: -16.087
tors. eta vs tors. theta energy: -33.584
Dist. restrs. and SS energy: 0.514 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -407.312213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.312213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.472925 (E_RNA)
where:
Base-Base interactions energy: -278.946
where: short stacking energy: -114.220
Base-Backbone interact. energy: -1.797
local terms energy: -126.729297
where:
bonds (distance) C4'-P energy: -20.090
bonds (distance) P-C4' energy: -31.034
flat angles C4'-P-C4' energy: -27.852
flat angles P-C4'-P energy: -18.014
tors. eta vs tors. theta energy: -29.739
Dist. restrs. and SS energy: 0.161 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -405.708864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.708864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.128261 (E_RNA)
where:
Base-Base interactions energy: -279.406
where: short stacking energy: -114.525
Base-Backbone interact. energy: -0.719
local terms energy: -126.003304
where:
bonds (distance) C4'-P energy: -23.811
bonds (distance) P-C4' energy: -20.520
flat angles C4'-P-C4' energy: -30.999
flat angles P-C4'-P energy: -17.991
tors. eta vs tors. theta energy: -32.683
Dist. restrs. and SS energy: 0.419 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -393.148982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.148982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.343461 (E_RNA)
where:
Base-Base interactions energy: -266.390
where: short stacking energy: -108.183
Base-Backbone interact. energy: -1.110
local terms energy: -125.844002
where:
bonds (distance) C4'-P energy: -28.783
bonds (distance) P-C4' energy: -24.961
flat angles C4'-P-C4' energy: -24.109
flat angles P-C4'-P energy: -19.724
tors. eta vs tors. theta energy: -28.267
Dist. restrs. and SS energy: 0.194 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -373.132023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.132023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.288052 (E_RNA)
where:
Base-Base interactions energy: -259.485
where: short stacking energy: -103.780
Base-Backbone interact. energy: 0.545
local terms energy: -114.348346
where:
bonds (distance) C4'-P energy: -20.574
bonds (distance) P-C4' energy: -22.985
flat angles C4'-P-C4' energy: -26.516
flat angles P-C4'-P energy: -13.561
tors. eta vs tors. theta energy: -30.713
Dist. restrs. and SS energy: 0.156 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -343.887427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.887427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.981593 (E_RNA)
where:
Base-Base interactions energy: -228.382
where: short stacking energy: -96.704
Base-Backbone interact. energy: -0.133
local terms energy: -115.466362
where:
bonds (distance) C4'-P energy: -23.586
bonds (distance) P-C4' energy: -21.351
flat angles C4'-P-C4' energy: -27.629
flat angles P-C4'-P energy: -17.580
tors. eta vs tors. theta energy: -25.321
Dist. restrs. and SS energy: 0.094 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -352.130790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.130790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.541659 (E_RNA)
where:
Base-Base interactions energy: -242.177
where: short stacking energy: -99.513
Base-Backbone interact. energy: -0.143
local terms energy: -110.221440
where:
bonds (distance) C4'-P energy: -20.142
bonds (distance) P-C4' energy: -21.254
flat angles C4'-P-C4' energy: -28.472
flat angles P-C4'-P energy: -14.746
tors. eta vs tors. theta energy: -25.607
Dist. restrs. and SS energy: 0.411 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -352.456054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.456054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.948018 (E_RNA)
where:
Base-Base interactions energy: -247.564
where: short stacking energy: -92.110
Base-Backbone interact. energy: -0.279
local terms energy: -105.104929
where:
bonds (distance) C4'-P energy: -23.926
bonds (distance) P-C4' energy: -27.787
flat angles C4'-P-C4' energy: -18.824
flat angles P-C4'-P energy: -11.376
tors. eta vs tors. theta energy: -23.191
Dist. restrs. and SS energy: 0.492 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -310.798993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.798993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.653806 (E_RNA)
where:
Base-Base interactions energy: -205.562
where: short stacking energy: -75.970
Base-Backbone interact. energy: -0.119
local terms energy: -105.972491
where:
bonds (distance) C4'-P energy: -26.328
bonds (distance) P-C4' energy: -24.957
flat angles C4'-P-C4' energy: -18.618
flat angles P-C4'-P energy: -13.013
tors. eta vs tors. theta energy: -23.056
Dist. restrs. and SS energy: 0.855 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -312.236266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.236266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.639482 (E_RNA)
where:
Base-Base interactions energy: -215.682
where: short stacking energy: -83.694
Base-Backbone interact. energy: 0.219
local terms energy: -97.176268
where:
bonds (distance) C4'-P energy: -18.160
bonds (distance) P-C4' energy: -27.298
flat angles C4'-P-C4' energy: -19.969
flat angles P-C4'-P energy: -14.410
tors. eta vs tors. theta energy: -17.340
Dist. restrs. and SS energy: 0.403 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -435.110569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.110569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.695588 (E_RNA)
where:
Base-Base interactions energy: -297.904
where: short stacking energy: -117.563
Base-Backbone interact. energy: -1.614
local terms energy: -136.177227
where:
bonds (distance) C4'-P energy: -28.805
bonds (distance) P-C4' energy: -29.115
flat angles C4'-P-C4' energy: -30.472
flat angles P-C4'-P energy: -17.255
tors. eta vs tors. theta energy: -30.530
Dist. restrs. and SS energy: 0.585 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -409.495164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.495164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.669323 (E_RNA)
where:
Base-Base interactions energy: -270.321
where: short stacking energy: -112.114
Base-Backbone interact. energy: -0.585
local terms energy: -138.763712
where:
bonds (distance) C4'-P energy: -28.845
bonds (distance) P-C4' energy: -25.778
flat angles C4'-P-C4' energy: -31.229
flat angles P-C4'-P energy: -19.975
tors. eta vs tors. theta energy: -32.937
Dist. restrs. and SS energy: 0.174 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -408.017541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.017541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.249409 (E_RNA)
where:
Base-Base interactions energy: -271.858
where: short stacking energy: -114.293
Base-Backbone interact. energy: -0.069
local terms energy: -136.322562
where:
bonds (distance) C4'-P energy: -26.791
bonds (distance) P-C4' energy: -27.454
flat angles C4'-P-C4' energy: -28.932
flat angles P-C4'-P energy: -17.706
tors. eta vs tors. theta energy: -35.439
Dist. restrs. and SS energy: 0.232 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -390.540603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.540603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.722165 (E_RNA)
where:
Base-Base interactions energy: -276.765
where: short stacking energy: -104.194
Base-Backbone interact. energy: -0.946
local terms energy: -113.010659
where:
bonds (distance) C4'-P energy: -21.299
bonds (distance) P-C4' energy: -21.645
flat angles C4'-P-C4' energy: -24.847
flat angles P-C4'-P energy: -15.174
tors. eta vs tors. theta energy: -30.046
Dist. restrs. and SS energy: 0.182 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -370.751240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.751240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.964553 (E_RNA)
where:
Base-Base interactions energy: -254.943
where: short stacking energy: -95.849
Base-Backbone interact. energy: -0.729
local terms energy: -115.292409
where:
bonds (distance) C4'-P energy: -18.665
bonds (distance) P-C4' energy: -21.803
flat angles C4'-P-C4' energy: -27.759
flat angles P-C4'-P energy: -17.592
tors. eta vs tors. theta energy: -29.473
Dist. restrs. and SS energy: 0.213 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -350.583180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.583180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.764794 (E_RNA)
where:
Base-Base interactions energy: -227.484
where: short stacking energy: -90.767
Base-Backbone interact. energy: -0.283
local terms energy: -122.998189
where:
bonds (distance) C4'-P energy: -26.245
bonds (distance) P-C4' energy: -29.082
flat angles C4'-P-C4' energy: -26.338
flat angles P-C4'-P energy: -19.494
tors. eta vs tors. theta energy: -21.840
Dist. restrs. and SS energy: 0.182 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -363.313227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.313227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.518674 (E_RNA)
where:
Base-Base interactions energy: -241.613
where: short stacking energy: -93.831
Base-Backbone interact. energy: -0.642
local terms energy: -121.263860
where:
bonds (distance) C4'-P energy: -24.487
bonds (distance) P-C4' energy: -25.942
flat angles C4'-P-C4' energy: -26.173
flat angles P-C4'-P energy: -16.843
tors. eta vs tors. theta energy: -27.818
Dist. restrs. and SS energy: 0.205 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -331.658653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.658653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.879363 (E_RNA)
where:
Base-Base interactions energy: -219.378
where: short stacking energy: -86.351
Base-Backbone interact. energy: -0.369
local terms energy: -112.132441
where:
bonds (distance) C4'-P energy: -21.416
bonds (distance) P-C4' energy: -25.828
flat angles C4'-P-C4' energy: -25.239
flat angles P-C4'-P energy: -17.540
tors. eta vs tors. theta energy: -22.110
Dist. restrs. and SS energy: 0.221 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -327.657481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.657481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.106022 (E_RNA)
where:
Base-Base interactions energy: -220.159
where: short stacking energy: -85.252
Base-Backbone interact. energy: 0.531
local terms energy: -108.477386
where:
bonds (distance) C4'-P energy: -18.785
bonds (distance) P-C4' energy: -26.906
flat angles C4'-P-C4' energy: -23.154
flat angles P-C4'-P energy: -16.469
tors. eta vs tors. theta energy: -23.163
Dist. restrs. and SS energy: 0.449 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -307.735616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.735616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.260558 (E_RNA)
where:
Base-Base interactions energy: -216.643
where: short stacking energy: -90.594
Base-Backbone interact. energy: 1.379
local terms energy: -92.996892
where:
bonds (distance) C4'-P energy: -20.450
bonds (distance) P-C4' energy: -28.294
flat angles C4'-P-C4' energy: -12.012
flat angles P-C4'-P energy: -10.342
tors. eta vs tors. theta energy: -21.898
Dist. restrs. and SS energy: 0.525 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -441.604165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.604165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.810038 (E_RNA)
where:
Base-Base interactions energy: -302.950
where: short stacking energy: -112.175
Base-Backbone interact. energy: 0.617
local terms energy: -139.477256
where:
bonds (distance) C4'-P energy: -23.815
bonds (distance) P-C4' energy: -29.999
flat angles C4'-P-C4' energy: -32.044
flat angles P-C4'-P energy: -18.860
tors. eta vs tors. theta energy: -34.760
Dist. restrs. and SS energy: 0.206 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -406.938785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.938785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.054348 (E_RNA)
where:
Base-Base interactions energy: -287.910
where: short stacking energy: -110.185
Base-Backbone interact. energy: -0.170
local terms energy: -118.974866
where:
bonds (distance) C4'-P energy: -21.067
bonds (distance) P-C4' energy: -22.350
flat angles C4'-P-C4' energy: -25.200
flat angles P-C4'-P energy: -21.296
tors. eta vs tors. theta energy: -29.062
Dist. restrs. and SS energy: 0.116 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -400.708422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.708422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.736322 (E_RNA)
where:
Base-Base interactions energy: -265.177
where: short stacking energy: -108.226
Base-Backbone interact. energy: -1.069
local terms energy: -134.490121
where:
bonds (distance) C4'-P energy: -26.176
bonds (distance) P-C4' energy: -25.429
flat angles C4'-P-C4' energy: -28.749
flat angles P-C4'-P energy: -24.792
tors. eta vs tors. theta energy: -29.343
Dist. restrs. and SS energy: 0.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -389.747457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.747457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.918330 (E_RNA)
where:
Base-Base interactions energy: -264.281
where: short stacking energy: -105.380
Base-Backbone interact. energy: -1.181
local terms energy: -124.455546
where:
bonds (distance) C4'-P energy: -23.750
bonds (distance) P-C4' energy: -28.481
flat angles C4'-P-C4' energy: -23.887
flat angles P-C4'-P energy: -17.895
tors. eta vs tors. theta energy: -30.442
Dist. restrs. and SS energy: 0.171 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -375.244999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.244999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.517815 (E_RNA)
where:
Base-Base interactions energy: -253.424
where: short stacking energy: -93.999
Base-Backbone interact. energy: -0.277
local terms energy: -121.816979
where:
bonds (distance) C4'-P energy: -26.717
bonds (distance) P-C4' energy: -29.415
flat angles C4'-P-C4' energy: -25.000
flat angles P-C4'-P energy: -16.653
tors. eta vs tors. theta energy: -24.031
Dist. restrs. and SS energy: 0.273 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -350.068461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.068461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.592371 (E_RNA)
where:
Base-Base interactions energy: -236.068
where: short stacking energy: -101.368
Base-Backbone interact. energy: -0.667
local terms energy: -113.857470
where:
bonds (distance) C4'-P energy: -24.327
bonds (distance) P-C4' energy: -19.929
flat angles C4'-P-C4' energy: -21.498
flat angles P-C4'-P energy: -18.883
tors. eta vs tors. theta energy: -29.220
Dist. restrs. and SS energy: 0.524 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -355.298517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.298517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.576456 (E_RNA)
where:
Base-Base interactions energy: -253.156
where: short stacking energy: -93.999
Base-Backbone interact. energy: -0.291
local terms energy: -102.129768
where:
bonds (distance) C4'-P energy: -20.094
bonds (distance) P-C4' energy: -19.422
flat angles C4'-P-C4' energy: -23.811
flat angles P-C4'-P energy: -14.302
tors. eta vs tors. theta energy: -24.501
Dist. restrs. and SS energy: 0.278 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -347.120273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.120273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.361378 (E_RNA)
where:
Base-Base interactions energy: -227.067
where: short stacking energy: -91.284
Base-Backbone interact. energy: -0.239
local terms energy: -120.054697
where:
bonds (distance) C4'-P energy: -23.500
bonds (distance) P-C4' energy: -29.160
flat angles C4'-P-C4' energy: -24.749
flat angles P-C4'-P energy: -15.976
tors. eta vs tors. theta energy: -26.669
Dist. restrs. and SS energy: 0.241 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -327.816443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.816443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.121254 (E_RNA)
where:
Base-Base interactions energy: -226.942
where: short stacking energy: -89.689
Base-Backbone interact. energy: 0.038
local terms energy: -101.216915
where:
bonds (distance) C4'-P energy: -14.183
bonds (distance) P-C4' energy: -14.711
flat angles C4'-P-C4' energy: -30.763
flat angles P-C4'-P energy: -16.239
tors. eta vs tors. theta energy: -25.322
Dist. restrs. and SS energy: 0.305 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -320.425931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.425931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.662842 (E_RNA)
where:
Base-Base interactions energy: -210.597
where: short stacking energy: -81.543
Base-Backbone interact. energy: -0.734
local terms energy: -109.331612
where:
bonds (distance) C4'-P energy: -23.332
bonds (distance) P-C4' energy: -27.254
flat angles C4'-P-C4' energy: -25.610
flat angles P-C4'-P energy: -13.212
tors. eta vs tors. theta energy: -19.923
Dist. restrs. and SS energy: 0.237 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -439.440763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.440763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.572146 (E_RNA)
where:
Base-Base interactions energy: -308.664
where: short stacking energy: -117.140
Base-Backbone interact. energy: -0.354
local terms energy: -130.554612
where:
bonds (distance) C4'-P energy: -28.504
bonds (distance) P-C4' energy: -26.633
flat angles C4'-P-C4' energy: -25.726
flat angles P-C4'-P energy: -15.488
tors. eta vs tors. theta energy: -34.204
Dist. restrs. and SS energy: 0.131 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -399.410822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.410822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.029476 (E_RNA)
where:
Base-Base interactions energy: -275.321
where: short stacking energy: -114.156
Base-Backbone interact. energy: -0.467
local terms energy: -124.241529
where:
bonds (distance) C4'-P energy: -25.927
bonds (distance) P-C4' energy: -22.364
flat angles C4'-P-C4' energy: -28.284
flat angles P-C4'-P energy: -15.018
tors. eta vs tors. theta energy: -32.648
Dist. restrs. and SS energy: 0.619 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -403.456494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.456494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.702944 (E_RNA)
where:
Base-Base interactions energy: -269.622
where: short stacking energy: -109.021
Base-Backbone interact. energy: -1.824
local terms energy: -132.257108
where:
bonds (distance) C4'-P energy: -26.059
bonds (distance) P-C4' energy: -19.581
flat angles C4'-P-C4' energy: -28.227
flat angles P-C4'-P energy: -21.896
tors. eta vs tors. theta energy: -36.494
Dist. restrs. and SS energy: 0.246 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -400.497303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.497303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.792057 (E_RNA)
where:
Base-Base interactions energy: -265.283
where: short stacking energy: -111.202
Base-Backbone interact. energy: -0.303
local terms energy: -135.206509
where:
bonds (distance) C4'-P energy: -25.665
bonds (distance) P-C4' energy: -25.275
flat angles C4'-P-C4' energy: -34.469
flat angles P-C4'-P energy: -15.340
tors. eta vs tors. theta energy: -34.457
Dist. restrs. and SS energy: 0.295 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -380.437148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.437148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.553375 (E_RNA)
where:
Base-Base interactions energy: -259.380
where: short stacking energy: -108.254
Base-Backbone interact. energy: -1.227
local terms energy: -119.946579
where:
bonds (distance) C4'-P energy: -24.457
bonds (distance) P-C4' energy: -23.763
flat angles C4'-P-C4' energy: -28.402
flat angles P-C4'-P energy: -15.550
tors. eta vs tors. theta energy: -27.775
Dist. restrs. and SS energy: 0.116 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -402.092185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.092185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.380292 (E_RNA)
where:
Base-Base interactions energy: -270.062
where: short stacking energy: -111.661
Base-Backbone interact. energy: 0.185
local terms energy: -132.502708
where:
bonds (distance) C4'-P energy: -24.880
bonds (distance) P-C4' energy: -31.211
flat angles C4'-P-C4' energy: -28.106
flat angles P-C4'-P energy: -17.397
tors. eta vs tors. theta energy: -30.910
Dist. restrs. and SS energy: 0.288 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -350.728580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.728580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.110031 (E_RNA)
where:
Base-Base interactions energy: -234.402
where: short stacking energy: -91.836
Base-Backbone interact. energy: -1.837
local terms energy: -114.870967
where:
bonds (distance) C4'-P energy: -25.641
bonds (distance) P-C4' energy: -24.132
flat angles C4'-P-C4' energy: -26.770
flat angles P-C4'-P energy: -17.499
tors. eta vs tors. theta energy: -20.829
Dist. restrs. and SS energy: 0.381 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -340.535932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.535932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.002986 (E_RNA)
where:
Base-Base interactions energy: -232.033
where: short stacking energy: -83.673
Base-Backbone interact. energy: -1.315
local terms energy: -107.655026
where:
bonds (distance) C4'-P energy: -17.992
bonds (distance) P-C4' energy: -28.208
flat angles C4'-P-C4' energy: -23.001
flat angles P-C4'-P energy: -15.940
tors. eta vs tors. theta energy: -22.515
Dist. restrs. and SS energy: 0.467 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -319.098351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.098351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.758249 (E_RNA)
where:
Base-Base interactions energy: -214.815
where: short stacking energy: -76.428
Base-Backbone interact. energy: -0.621
local terms energy: -104.322907
where:
bonds (distance) C4'-P energy: -27.988
bonds (distance) P-C4' energy: -15.863
flat angles C4'-P-C4' energy: -23.638
flat angles P-C4'-P energy: -19.140
tors. eta vs tors. theta energy: -17.694
Dist. restrs. and SS energy: 0.660 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -308.532180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.532180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.870075 (E_RNA)
where:
Base-Base interactions energy: -213.659
where: short stacking energy: -80.684
Base-Backbone interact. energy: 2.064
local terms energy: -97.275466
where:
bonds (distance) C4'-P energy: -13.574
bonds (distance) P-C4' energy: -25.737
flat angles C4'-P-C4' energy: -25.005
flat angles P-C4'-P energy: -18.424
tors. eta vs tors. theta energy: -14.535
Dist. restrs. and SS energy: 0.338 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -440.973538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.973538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.198248 (E_RNA)
where:
Base-Base interactions energy: -311.566
where: short stacking energy: -115.115
Base-Backbone interact. energy: -0.427
local terms energy: -129.204935
where:
bonds (distance) C4'-P energy: -26.328
bonds (distance) P-C4' energy: -27.274
flat angles C4'-P-C4' energy: -23.007
flat angles P-C4'-P energy: -15.457
tors. eta vs tors. theta energy: -37.138
Dist. restrs. and SS energy: 0.225 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -408.127978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.127978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.430428 (E_RNA)
where:
Base-Base interactions energy: -272.647
where: short stacking energy: -101.860
Base-Backbone interact. energy: -0.944
local terms energy: -134.838952
where:
bonds (distance) C4'-P energy: -26.441
bonds (distance) P-C4' energy: -29.537
flat angles C4'-P-C4' energy: -28.605
flat angles P-C4'-P energy: -20.344
tors. eta vs tors. theta energy: -29.912
Dist. restrs. and SS energy: 0.302 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -400.835165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.835165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.987830 (E_RNA)
where:
Base-Base interactions energy: -263.004
where: short stacking energy: -100.194
Base-Backbone interact. energy: -1.296
local terms energy: -136.687847
where:
bonds (distance) C4'-P energy: -26.652
bonds (distance) P-C4' energy: -27.024
flat angles C4'-P-C4' energy: -29.951
flat angles P-C4'-P energy: -17.687
tors. eta vs tors. theta energy: -35.374
Dist. restrs. and SS energy: 0.153 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -391.922942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.922942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.102562 (E_RNA)
where:
Base-Base interactions energy: -267.407
where: short stacking energy: -104.720
Base-Backbone interact. energy: 2.033
local terms energy: -126.728379
where:
bonds (distance) C4'-P energy: -24.349
bonds (distance) P-C4' energy: -28.825
flat angles C4'-P-C4' energy: -16.711
flat angles P-C4'-P energy: -22.400
tors. eta vs tors. theta energy: -34.444
Dist. restrs. and SS energy: 0.180 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -366.920693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.920693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.925188 (E_RNA)
where:
Base-Base interactions energy: -242.670
where: short stacking energy: -104.252
Base-Backbone interact. energy: -0.768
local terms energy: -123.487669
where:
bonds (distance) C4'-P energy: -24.208
bonds (distance) P-C4' energy: -24.051
flat angles C4'-P-C4' energy: -27.374
flat angles P-C4'-P energy: -17.595
tors. eta vs tors. theta energy: -30.259
Dist. restrs. and SS energy: 0.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -343.726952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.726952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.949652 (E_RNA)
where:
Base-Base interactions energy: -234.611
where: short stacking energy: -95.168
Base-Backbone interact. energy: 0.497
local terms energy: -109.835415
where:
bonds (distance) C4'-P energy: -24.167
bonds (distance) P-C4' energy: -22.761
flat angles C4'-P-C4' energy: -27.296
flat angles P-C4'-P energy: -10.211
tors. eta vs tors. theta energy: -25.400
Dist. restrs. and SS energy: 0.223 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -366.630983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.630983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.911281 (E_RNA)
where:
Base-Base interactions energy: -247.596
where: short stacking energy: -107.957
Base-Backbone interact. energy: 0.053
local terms energy: -119.368190
where:
bonds (distance) C4'-P energy: -17.126
bonds (distance) P-C4' energy: -26.265
flat angles C4'-P-C4' energy: -27.598
flat angles P-C4'-P energy: -16.537
tors. eta vs tors. theta energy: -31.842
Dist. restrs. and SS energy: 0.280 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -336.253346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.253346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.309858 (E_RNA)
where:
Base-Base interactions energy: -232.856
where: short stacking energy: -84.466
Base-Backbone interact. energy: -0.362
local terms energy: -103.091746
where:
bonds (distance) C4'-P energy: -19.034
bonds (distance) P-C4' energy: -18.421
flat angles C4'-P-C4' energy: -26.201
flat angles P-C4'-P energy: -14.583
tors. eta vs tors. theta energy: -24.852
Dist. restrs. and SS energy: 0.057 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -334.566067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.566067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.845193 (E_RNA)
where:
Base-Base interactions energy: -221.462
where: short stacking energy: -82.881
Base-Backbone interact. energy: 0.239
local terms energy: -113.622188
where:
bonds (distance) C4'-P energy: -23.719
bonds (distance) P-C4' energy: -25.961
flat angles C4'-P-C4' energy: -24.003
flat angles P-C4'-P energy: -15.916
tors. eta vs tors. theta energy: -24.024
Dist. restrs. and SS energy: 0.279 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -314.705374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.705374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.805630 (E_RNA)
where:
Base-Base interactions energy: -214.503
where: short stacking energy: -86.619
Base-Backbone interact. energy: -0.492
local terms energy: -99.810596
where:
bonds (distance) C4'-P energy: -15.826
bonds (distance) P-C4' energy: -19.841
flat angles C4'-P-C4' energy: -22.253
flat angles P-C4'-P energy: -22.781
tors. eta vs tors. theta energy: -19.109
Dist. restrs. and SS energy: 0.100 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -435.952534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.952534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.309878 (E_RNA)
where:
Base-Base interactions energy: -303.172
where: short stacking energy: -117.177
Base-Backbone interact. energy: -1.170
local terms energy: -131.968082
where:
bonds (distance) C4'-P energy: -24.958
bonds (distance) P-C4' energy: -27.409
flat angles C4'-P-C4' energy: -28.538
flat angles P-C4'-P energy: -16.863
tors. eta vs tors. theta energy: -34.199
Dist. restrs. and SS energy: 0.357 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -419.253497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.253497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.397203 (E_RNA)
where:
Base-Base interactions energy: -280.730
where: short stacking energy: -119.803
Base-Backbone interact. energy: -0.297
local terms energy: -138.370154
where:
bonds (distance) C4'-P energy: -28.067
bonds (distance) P-C4' energy: -25.782
flat angles C4'-P-C4' energy: -30.782
flat angles P-C4'-P energy: -21.932
tors. eta vs tors. theta energy: -31.808
Dist. restrs. and SS energy: 0.144 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -412.912753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.912753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.202803 (E_RNA)
where:
Base-Base interactions energy: -273.521
where: short stacking energy: -107.465
Base-Backbone interact. energy: -1.046
local terms energy: -138.636161
where:
bonds (distance) C4'-P energy: -24.548
bonds (distance) P-C4' energy: -32.362
flat angles C4'-P-C4' energy: -28.387
flat angles P-C4'-P energy: -21.235
tors. eta vs tors. theta energy: -32.103
Dist. restrs. and SS energy: 0.290 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -395.005412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.005412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.133585 (E_RNA)
where:
Base-Base interactions energy: -266.017
where: short stacking energy: -119.099
Base-Backbone interact. energy: -0.321
local terms energy: -128.795360
where:
bonds (distance) C4'-P energy: -25.271
bonds (distance) P-C4' energy: -21.831
flat angles C4'-P-C4' energy: -30.788
flat angles P-C4'-P energy: -14.823
tors. eta vs tors. theta energy: -36.083
Dist. restrs. and SS energy: 0.128 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -349.248528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.248528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.788095 (E_RNA)
where:
Base-Base interactions energy: -237.550
where: short stacking energy: -96.433
Base-Backbone interact. energy: -1.277
local terms energy: -110.960317
where:
bonds (distance) C4'-P energy: -24.891
bonds (distance) P-C4' energy: -28.551
flat angles C4'-P-C4' energy: -23.855
flat angles P-C4'-P energy: -11.032
tors. eta vs tors. theta energy: -22.630
Dist. restrs. and SS energy: 0.540 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -358.043605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.043605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.378088 (E_RNA)
where:
Base-Base interactions energy: -227.027
where: short stacking energy: -90.182
Base-Backbone interact. energy: -1.080
local terms energy: -130.271437
where:
bonds (distance) C4'-P energy: -25.012
bonds (distance) P-C4' energy: -31.898
flat angles C4'-P-C4' energy: -25.990
flat angles P-C4'-P energy: -20.194
tors. eta vs tors. theta energy: -27.177
Dist. restrs. and SS energy: 0.334 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -370.059418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.059418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.574843 (E_RNA)
where:
Base-Base interactions energy: -254.520
where: short stacking energy: -104.260
Base-Backbone interact. energy: -0.293
local terms energy: -115.761817
where:
bonds (distance) C4'-P energy: -22.601
bonds (distance) P-C4' energy: -23.657
flat angles C4'-P-C4' energy: -25.077
flat angles P-C4'-P energy: -15.451
tors. eta vs tors. theta energy: -28.976
Dist. restrs. and SS energy: 0.515 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -345.653932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.653932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.758457 (E_RNA)
where:
Base-Base interactions energy: -244.039
where: short stacking energy: -97.872
Base-Backbone interact. energy: -0.422
local terms energy: -101.297386
where:
bonds (distance) C4'-P energy: -18.649
bonds (distance) P-C4' energy: -21.789
flat angles C4'-P-C4' energy: -27.525
flat angles P-C4'-P energy: -9.651
tors. eta vs tors. theta energy: -23.683
Dist. restrs. and SS energy: 0.105 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -340.033066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.033066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.307987 (E_RNA)
where:
Base-Base interactions energy: -226.571
where: short stacking energy: -84.797
Base-Backbone interact. energy: -0.184
local terms energy: -113.553149
where:
bonds (distance) C4'-P energy: -23.519
bonds (distance) P-C4' energy: -25.873
flat angles C4'-P-C4' energy: -24.366
flat angles P-C4'-P energy: -9.416
tors. eta vs tors. theta energy: -30.379
Dist. restrs. and SS energy: 0.275 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -311.798540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.798540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.191058 (E_RNA)
where:
Base-Base interactions energy: -210.806
where: short stacking energy: -78.618
Base-Backbone interact. energy: -0.222
local terms energy: -101.162911
where:
bonds (distance) C4'-P energy: -17.685
bonds (distance) P-C4' energy: -23.493
flat angles C4'-P-C4' energy: -21.090
flat angles P-C4'-P energy: -15.675
tors. eta vs tors. theta energy: -23.220
Dist. restrs. and SS energy: 0.393 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -433.962190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.962190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.112962 (E_RNA)
where:
Base-Base interactions energy: -299.063
where: short stacking energy: -106.619
Base-Backbone interact. energy: -0.684
local terms energy: -134.365133
where:
bonds (distance) C4'-P energy: -25.468
bonds (distance) P-C4' energy: -29.233
flat angles C4'-P-C4' energy: -26.363
flat angles P-C4'-P energy: -16.549
tors. eta vs tors. theta energy: -36.753
Dist. restrs. and SS energy: 0.151 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -404.350627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.350627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.460200 (E_RNA)
where:
Base-Base interactions energy: -270.964
where: short stacking energy: -110.176
Base-Backbone interact. energy: -1.808
local terms energy: -131.688225
where:
bonds (distance) C4'-P energy: -23.383
bonds (distance) P-C4' energy: -29.169
flat angles C4'-P-C4' energy: -27.438
flat angles P-C4'-P energy: -15.315
tors. eta vs tors. theta energy: -36.383
Dist. restrs. and SS energy: 0.110 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -393.279422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.279422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.618643 (E_RNA)
where:
Base-Base interactions energy: -253.545
where: short stacking energy: -105.580
Base-Backbone interact. energy: 0.414
local terms energy: -140.487552
where:
bonds (distance) C4'-P energy: -29.147
bonds (distance) P-C4' energy: -26.337
flat angles C4'-P-C4' energy: -30.480
flat angles P-C4'-P energy: -21.232
tors. eta vs tors. theta energy: -33.291
Dist. restrs. and SS energy: 0.339 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -403.667330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.667330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.916510 (E_RNA)
where:
Base-Base interactions energy: -265.088
where: short stacking energy: -105.288
Base-Backbone interact. energy: -0.401
local terms energy: -139.426643
where:
bonds (distance) C4'-P energy: -29.186
bonds (distance) P-C4' energy: -28.515
flat angles C4'-P-C4' energy: -33.416
flat angles P-C4'-P energy: -16.264
tors. eta vs tors. theta energy: -32.046
Dist. restrs. and SS energy: 1.249 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -348.559364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.559364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.722462 (E_RNA)
where:
Base-Base interactions energy: -245.766
where: short stacking energy: -95.223
Base-Backbone interact. energy: -0.151
local terms energy: -102.805737
where:
bonds (distance) C4'-P energy: -26.241
bonds (distance) P-C4' energy: -20.040
flat angles C4'-P-C4' energy: -24.691
flat angles P-C4'-P energy: -13.235
tors. eta vs tors. theta energy: -18.597
Dist. restrs. and SS energy: 0.163 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -386.353495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.353495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.886079 (E_RNA)
where:
Base-Base interactions energy: -261.998
where: short stacking energy: -110.882
Base-Backbone interact. energy: -0.696
local terms energy: -124.191759
where:
bonds (distance) C4'-P energy: -20.978
bonds (distance) P-C4' energy: -25.177
flat angles C4'-P-C4' energy: -27.920
flat angles P-C4'-P energy: -17.333
tors. eta vs tors. theta energy: -32.783
Dist. restrs. and SS energy: 0.533 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -345.634519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.634519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.482595 (E_RNA)
where:
Base-Base interactions energy: -237.732
where: short stacking energy: -91.543
Base-Backbone interact. energy: 0.057
local terms energy: -108.807608
where:
bonds (distance) C4'-P energy: -23.251
bonds (distance) P-C4' energy: -19.794
flat angles C4'-P-C4' energy: -28.450
flat angles P-C4'-P energy: -11.056
tors. eta vs tors. theta energy: -26.257
Dist. restrs. and SS energy: 0.848 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -350.702594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.702594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.594747 (E_RNA)
where:
Base-Base interactions energy: -237.750
where: short stacking energy: -94.362
Base-Backbone interact. energy: -0.293
local terms energy: -113.552072
where:
bonds (distance) C4'-P energy: -23.969
bonds (distance) P-C4' energy: -25.049
flat angles C4'-P-C4' energy: -29.463
flat angles P-C4'-P energy: -9.812
tors. eta vs tors. theta energy: -25.259
Dist. restrs. and SS energy: 0.892 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -326.266522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.266522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.520013 (E_RNA)
where:
Base-Base interactions energy: -217.006
where: short stacking energy: -81.363
Base-Backbone interact. energy: -0.686
local terms energy: -108.828357
where:
bonds (distance) C4'-P energy: -20.222
bonds (distance) P-C4' energy: -23.082
flat angles C4'-P-C4' energy: -26.326
flat angles P-C4'-P energy: -16.614
tors. eta vs tors. theta energy: -22.583
Dist. restrs. and SS energy: 0.253 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -278.689430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.689430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.170598 (E_RNA)
where:
Base-Base interactions energy: -180.515
where: short stacking energy: -75.158
Base-Backbone interact. energy: -0.159
local terms energy: -100.496223
where:
bonds (distance) C4'-P energy: -21.935
bonds (distance) P-C4' energy: -21.360
flat angles C4'-P-C4' energy: -23.063
flat angles P-C4'-P energy: -18.506
tors. eta vs tors. theta energy: -15.633
Dist. restrs. and SS energy: 2.481 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -417.207797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.207797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.396059 (E_RNA)
where:
Base-Base interactions energy: -273.096
where: short stacking energy: -104.014
Base-Backbone interact. energy: -0.226
local terms energy: -144.074137
where:
bonds (distance) C4'-P energy: -31.440
bonds (distance) P-C4' energy: -26.377
flat angles C4'-P-C4' energy: -33.385
flat angles P-C4'-P energy: -21.699
tors. eta vs tors. theta energy: -31.173
Dist. restrs. and SS energy: 0.188 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -431.915957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.915957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.023297 (E_RNA)
where:
Base-Base interactions energy: -305.350
where: short stacking energy: -114.564
Base-Backbone interact. energy: 0.113
local terms energy: -126.786140
where:
bonds (distance) C4'-P energy: -24.539
bonds (distance) P-C4' energy: -26.162
flat angles C4'-P-C4' energy: -25.689
flat angles P-C4'-P energy: -18.920
tors. eta vs tors. theta energy: -31.476
Dist. restrs. and SS energy: 0.107 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -405.004335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.004335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.222525 (E_RNA)
where:
Base-Base interactions energy: -269.785
where: short stacking energy: -113.584
Base-Backbone interact. energy: -0.786
local terms energy: -134.651466
where:
bonds (distance) C4'-P energy: -23.873
bonds (distance) P-C4' energy: -23.466
flat angles C4'-P-C4' energy: -31.455
flat angles P-C4'-P energy: -22.570
tors. eta vs tors. theta energy: -33.287
Dist. restrs. and SS energy: 0.218 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -377.691637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.691637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.772111 (E_RNA)
where:
Base-Base interactions energy: -247.400
where: short stacking energy: -109.493
Base-Backbone interact. energy: -0.122
local terms energy: -130.250287
where:
bonds (distance) C4'-P energy: -26.256
bonds (distance) P-C4' energy: -24.323
flat angles C4'-P-C4' energy: -31.087
flat angles P-C4'-P energy: -15.416
tors. eta vs tors. theta energy: -33.168
Dist. restrs. and SS energy: 0.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -375.620688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.620688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.140288 (E_RNA)
where:
Base-Base interactions energy: -260.886
where: short stacking energy: -105.463
Base-Backbone interact. energy: -1.174
local terms energy: -114.080713
where:
bonds (distance) C4'-P energy: -21.551
bonds (distance) P-C4' energy: -23.962
flat angles C4'-P-C4' energy: -25.126
flat angles P-C4'-P energy: -18.566
tors. eta vs tors. theta energy: -24.876
Dist. restrs. and SS energy: 0.520 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -365.456936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.456936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.937762 (E_RNA)
where:
Base-Base interactions energy: -242.925
where: short stacking energy: -94.800
Base-Backbone interact. energy: 2.257
local terms energy: -125.269664
where:
bonds (distance) C4'-P energy: -27.041
bonds (distance) P-C4' energy: -25.068
flat angles C4'-P-C4' energy: -26.791
flat angles P-C4'-P energy: -22.027
tors. eta vs tors. theta energy: -24.343
Dist. restrs. and SS energy: 0.481 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -351.960614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.960614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.372358 (E_RNA)
where:
Base-Base interactions energy: -241.453
where: short stacking energy: -96.077
Base-Backbone interact. energy: -0.295
local terms energy: -110.624673
where:
bonds (distance) C4'-P energy: -22.429
bonds (distance) P-C4' energy: -20.931
flat angles C4'-P-C4' energy: -20.307
flat angles P-C4'-P energy: -16.665
tors. eta vs tors. theta energy: -30.292
Dist. restrs. and SS energy: 0.412 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -334.143306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.143306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.344440 (E_RNA)
where:
Base-Base interactions energy: -227.159
where: short stacking energy: -83.542
Base-Backbone interact. energy: -0.346
local terms energy: -106.839945
where:
bonds (distance) C4'-P energy: -22.681
bonds (distance) P-C4' energy: -19.521
flat angles C4'-P-C4' energy: -25.484
flat angles P-C4'-P energy: -17.511
tors. eta vs tors. theta energy: -21.643
Dist. restrs. and SS energy: 0.201 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -326.979168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.979168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.202497 (E_RNA)
where:
Base-Base interactions energy: -226.127
where: short stacking energy: -84.220
Base-Backbone interact. energy: -0.441
local terms energy: -100.634207
where:
bonds (distance) C4'-P energy: -21.414
bonds (distance) P-C4' energy: -25.260
flat angles C4'-P-C4' energy: -26.081
flat angles P-C4'-P energy: -7.760
tors. eta vs tors. theta energy: -20.119
Dist. restrs. and SS energy: 0.223 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -314.935342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.935342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.302189 (E_RNA)
where:
Base-Base interactions energy: -219.346
where: short stacking energy: -89.146
Base-Backbone interact. energy: -0.588
local terms energy: -95.368132
where:
bonds (distance) C4'-P energy: -26.217
bonds (distance) P-C4' energy: -13.097
flat angles C4'-P-C4' energy: -22.484
flat angles P-C4'-P energy: -12.650
tors. eta vs tors. theta energy: -20.920
Dist. restrs. and SS energy: 0.367 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -422.537265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.537265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.852103 (E_RNA)
where:
Base-Base interactions energy: -289.387
where: short stacking energy: -117.001
Base-Backbone interact. energy: -0.809
local terms energy: -132.656218
where:
bonds (distance) C4'-P energy: -26.805
bonds (distance) P-C4' energy: -25.384
flat angles C4'-P-C4' energy: -28.979
flat angles P-C4'-P energy: -14.727
tors. eta vs tors. theta energy: -36.761
Dist. restrs. and SS energy: 0.315 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -421.688975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.688975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.945381 (E_RNA)
where:
Base-Base interactions energy: -294.715
where: short stacking energy: -120.935
Base-Backbone interact. energy: 0.409
local terms energy: -127.639593
where:
bonds (distance) C4'-P energy: -27.210
bonds (distance) P-C4' energy: -25.008
flat angles C4'-P-C4' energy: -30.172
flat angles P-C4'-P energy: -14.381
tors. eta vs tors. theta energy: -30.868
Dist. restrs. and SS energy: 0.256 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -394.133318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.133318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.907298 (E_RNA)
where:
Base-Base interactions energy: -262.449
where: short stacking energy: -106.469
Base-Backbone interact. energy: -0.673
local terms energy: -131.785486
where:
bonds (distance) C4'-P energy: -29.388
bonds (distance) P-C4' energy: -22.240
flat angles C4'-P-C4' energy: -27.960
flat angles P-C4'-P energy: -19.813
tors. eta vs tors. theta energy: -32.384
Dist. restrs. and SS energy: 0.774 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -382.112848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.112848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.300508 (E_RNA)
where:
Base-Base interactions energy: -263.366
where: short stacking energy: -111.364
Base-Backbone interact. energy: -0.527
local terms energy: -118.407206
where:
bonds (distance) C4'-P energy: -20.727
bonds (distance) P-C4' energy: -21.027
flat angles C4'-P-C4' energy: -25.067
flat angles P-C4'-P energy: -21.290
tors. eta vs tors. theta energy: -30.297
Dist. restrs. and SS energy: 0.188 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -396.431147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.431147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.977493 (E_RNA)
where:
Base-Base interactions energy: -268.033
where: short stacking energy: -107.042
Base-Backbone interact. energy: -0.418
local terms energy: -128.526461
where:
bonds (distance) C4'-P energy: -25.169
bonds (distance) P-C4' energy: -30.185
flat angles C4'-P-C4' energy: -26.475
flat angles P-C4'-P energy: -15.319
tors. eta vs tors. theta energy: -31.378
Dist. restrs. and SS energy: 0.546 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -342.559662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.559662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.786723 (E_RNA)
where:
Base-Base interactions energy: -235.070
where: short stacking energy: -89.106
Base-Backbone interact. energy: -0.228
local terms energy: -107.488272
where:
bonds (distance) C4'-P energy: -23.161
bonds (distance) P-C4' energy: -23.680
flat angles C4'-P-C4' energy: -20.535
flat angles P-C4'-P energy: -14.458
tors. eta vs tors. theta energy: -25.654
Dist. restrs. and SS energy: 0.227 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -339.888267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.888267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.321761 (E_RNA)
where:
Base-Base interactions energy: -222.762
where: short stacking energy: -82.760
Base-Backbone interact. energy: 1.455
local terms energy: -119.015263
where:
bonds (distance) C4'-P energy: -28.021
bonds (distance) P-C4' energy: -23.721
flat angles C4'-P-C4' energy: -26.965
flat angles P-C4'-P energy: -18.037
tors. eta vs tors. theta energy: -22.273
Dist. restrs. and SS energy: 0.433 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -320.854345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.854345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.300890 (E_RNA)
where:
Base-Base interactions energy: -218.060
where: short stacking energy: -71.245
Base-Backbone interact. energy: -0.419
local terms energy: -102.822479
where:
bonds (distance) C4'-P energy: -22.912
bonds (distance) P-C4' energy: -30.900
flat angles C4'-P-C4' energy: -24.787
flat angles P-C4'-P energy: -6.699
tors. eta vs tors. theta energy: -17.525
Dist. restrs. and SS energy: 0.447 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -331.783477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.783477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.112077 (E_RNA)
where:
Base-Base interactions energy: -218.388
where: short stacking energy: -81.684
Base-Backbone interact. energy: -0.902
local terms energy: -112.822066
where:
bonds (distance) C4'-P energy: -27.606
bonds (distance) P-C4' energy: -24.581
flat angles C4'-P-C4' energy: -20.153
flat angles P-C4'-P energy: -20.942
tors. eta vs tors. theta energy: -19.539
Dist. restrs. and SS energy: 0.329 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -329.531014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.531014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.936134 (E_RNA)
where:
Base-Base interactions energy: -232.807
where: short stacking energy: -91.907
Base-Backbone interact. energy: -0.425
local terms energy: -96.704760
where:
bonds (distance) C4'-P energy: -19.478
bonds (distance) P-C4' energy: -16.061
flat angles C4'-P-C4' energy: -23.869
flat angles P-C4'-P energy: -16.510
tors. eta vs tors. theta energy: -20.787
Dist. restrs. and SS energy: 0.405 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -431.004252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.004252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.327515 (E_RNA)
where:
Base-Base interactions energy: -297.818
where: short stacking energy: -119.824
Base-Backbone interact. energy: 1.396
local terms energy: -134.905756
where:
bonds (distance) C4'-P energy: -26.432
bonds (distance) P-C4' energy: -30.523
flat angles C4'-P-C4' energy: -25.683
flat angles P-C4'-P energy: -23.459
tors. eta vs tors. theta energy: -28.808
Dist. restrs. and SS energy: 0.323 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -419.284143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.284143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.463970 (E_RNA)
where:
Base-Base interactions energy: -287.400
where: short stacking energy: -114.920
Base-Backbone interact. energy: -0.225
local terms energy: -131.839408
where:
bonds (distance) C4'-P energy: -28.129
bonds (distance) P-C4' energy: -27.987
flat angles C4'-P-C4' energy: -28.417
flat angles P-C4'-P energy: -15.203
tors. eta vs tors. theta energy: -32.103
Dist. restrs. and SS energy: 0.180 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -396.018054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.018054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.240335 (E_RNA)
where:
Base-Base interactions energy: -269.377
where: short stacking energy: -117.659
Base-Backbone interact. energy: -0.490
local terms energy: -126.374092
where:
bonds (distance) C4'-P energy: -18.438
bonds (distance) P-C4' energy: -28.883
flat angles C4'-P-C4' energy: -30.060
flat angles P-C4'-P energy: -14.108
tors. eta vs tors. theta energy: -34.885
Dist. restrs. and SS energy: 0.222 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -379.808333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.808333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.916740 (E_RNA)
where:
Base-Base interactions energy: -245.024
where: short stacking energy: -93.289
Base-Backbone interact. energy: -0.434
local terms energy: -134.458909
where:
bonds (distance) C4'-P energy: -27.969
bonds (distance) P-C4' energy: -30.003
flat angles C4'-P-C4' energy: -27.917
flat angles P-C4'-P energy: -20.405
tors. eta vs tors. theta energy: -28.165
Dist. restrs. and SS energy: 0.108 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -383.243584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.243584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.679626 (E_RNA)
where:
Base-Base interactions energy: -264.931
where: short stacking energy: -106.771
Base-Backbone interact. energy: -0.064
local terms energy: -118.684165
where:
bonds (distance) C4'-P energy: -25.549
bonds (distance) P-C4' energy: -29.263
flat angles C4'-P-C4' energy: -24.556
flat angles P-C4'-P energy: -6.883
tors. eta vs tors. theta energy: -32.433
Dist. restrs. and SS energy: 0.436 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -366.826032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.826032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.866933 (E_RNA)
where:
Base-Base interactions energy: -244.154
where: short stacking energy: -97.207
Base-Backbone interact. energy: -0.877
local terms energy: -121.835905
where:
bonds (distance) C4'-P energy: -24.378
bonds (distance) P-C4' energy: -26.996
flat angles C4'-P-C4' energy: -26.766
flat angles P-C4'-P energy: -13.241
tors. eta vs tors. theta energy: -30.456
Dist. restrs. and SS energy: 0.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -338.807258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.807258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.683896 (E_RNA)
where:
Base-Base interactions energy: -223.373
where: short stacking energy: -87.553
Base-Backbone interact. energy: 0.835
local terms energy: -117.145836
where:
bonds (distance) C4'-P energy: -24.665
bonds (distance) P-C4' energy: -25.464
flat angles C4'-P-C4' energy: -27.241
flat angles P-C4'-P energy: -10.667
tors. eta vs tors. theta energy: -29.109
Dist. restrs. and SS energy: 0.877 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -323.119103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.119103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.491371 (E_RNA)
where:
Base-Base interactions energy: -231.219
where: short stacking energy: -98.522
Base-Backbone interact. energy: -0.223
local terms energy: -92.049922
where:
bonds (distance) C4'-P energy: -20.858
bonds (distance) P-C4' energy: -20.234
flat angles C4'-P-C4' energy: -20.111
flat angles P-C4'-P energy: -4.395
tors. eta vs tors. theta energy: -26.452
Dist. restrs. and SS energy: 0.372 (S_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: 352
Temperature: 1.300000
Total energy: -340.085150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.085150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.262597 (E_RNA)
where:
Base-Base interactions energy: -233.613
where: short stacking energy: -94.736
Base-Backbone interact. energy: -0.191
local terms energy: -106.459025
where:
bonds (distance) C4'-P energy: -19.075
bonds (distance) P-C4' energy: -25.632
flat angles C4'-P-C4' energy: -25.653
flat angles P-C4'-P energy: -7.007
tors. eta vs tors. theta energy: -29.093
Dist. restrs. and SS energy: 0.177 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -304.739450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.739450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.941570 (E_RNA)
where:
Base-Base interactions energy: -205.588
where: short stacking energy: -74.868
Base-Backbone interact. energy: -0.239
local terms energy: -99.114501
where:
bonds (distance) C4'-P energy: -21.029
bonds (distance) P-C4' energy: -22.121
flat angles C4'-P-C4' energy: -18.924
flat angles P-C4'-P energy: -19.327
tors. eta vs tors. theta energy: -17.713
Dist. restrs. and SS energy: 0.202 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -442.996712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.996712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.178008 (E_RNA)
where:
Base-Base interactions energy: -304.667
where: short stacking energy: -119.380
Base-Backbone interact. energy: -0.383
local terms energy: -138.128644
where:
bonds (distance) C4'-P energy: -28.427
bonds (distance) P-C4' energy: -27.037
flat angles C4'-P-C4' energy: -30.946
flat angles P-C4'-P energy: -21.761
tors. eta vs tors. theta energy: -29.958
Dist. restrs. and SS energy: 0.181 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -413.178225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.178225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.308656 (E_RNA)
where:
Base-Base interactions energy: -277.402
where: short stacking energy: -106.376
Base-Backbone interact. energy: 0.659
local terms energy: -136.565291
where:
bonds (distance) C4'-P energy: -28.299
bonds (distance) P-C4' energy: -30.068
flat angles C4'-P-C4' energy: -28.203
flat angles P-C4'-P energy: -18.633
tors. eta vs tors. theta energy: -31.362
Dist. restrs. and SS energy: 0.130 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -407.596094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.596094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.205061 (E_RNA)
where:
Base-Base interactions energy: -281.407
where: short stacking energy: -115.124
Base-Backbone interact. energy: -2.637
local terms energy: -124.160708
where:
bonds (distance) C4'-P energy: -21.477
bonds (distance) P-C4' energy: -22.423
flat angles C4'-P-C4' energy: -25.544
flat angles P-C4'-P energy: -20.010
tors. eta vs tors. theta energy: -34.706
Dist. restrs. and SS energy: 0.609 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -400.904290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.904290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.097610 (E_RNA)
where:
Base-Base interactions energy: -267.120
where: short stacking energy: -117.638
Base-Backbone interact. energy: -0.175
local terms energy: -133.801985
where:
bonds (distance) C4'-P energy: -26.969
bonds (distance) P-C4' energy: -28.067
flat angles C4'-P-C4' energy: -27.981
flat angles P-C4'-P energy: -17.407
tors. eta vs tors. theta energy: -33.378
Dist. restrs. and SS energy: 0.193 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -371.355485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.355485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.790185 (E_RNA)
where:
Base-Base interactions energy: -249.989
where: short stacking energy: -106.376
Base-Backbone interact. energy: -0.814
local terms energy: -120.987120
where:
bonds (distance) C4'-P energy: -29.318
bonds (distance) P-C4' energy: -26.384
flat angles C4'-P-C4' energy: -24.531
flat angles P-C4'-P energy: -17.329
tors. eta vs tors. theta energy: -23.426
Dist. restrs. and SS energy: 0.435 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -355.879342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.879342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.109262 (E_RNA)
where:
Base-Base interactions energy: -243.993
where: short stacking energy: -88.344
Base-Backbone interact. energy: -0.289
local terms energy: -111.827919
where:
bonds (distance) C4'-P energy: -20.531
bonds (distance) P-C4' energy: -28.284
flat angles C4'-P-C4' energy: -21.395
flat angles P-C4'-P energy: -17.152
tors. eta vs tors. theta energy: -24.465
Dist. restrs. and SS energy: 0.230 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -335.080477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.080477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.250898 (E_RNA)
where:
Base-Base interactions energy: -221.322
where: short stacking energy: -72.716
Base-Backbone interact. energy: -1.570
local terms energy: -112.357963
where:
bonds (distance) C4'-P energy: -25.982
bonds (distance) P-C4' energy: -23.373
flat angles C4'-P-C4' energy: -26.272
flat angles P-C4'-P energy: -18.853
tors. eta vs tors. theta energy: -17.877
Dist. restrs. and SS energy: 0.170 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -353.599305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.599305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.213584 (E_RNA)
where:
Base-Base interactions energy: -234.140
where: short stacking energy: -92.585
Base-Backbone interact. energy: -0.941
local terms energy: -119.132490
where:
bonds (distance) C4'-P energy: -24.192
bonds (distance) P-C4' energy: -22.846
flat angles C4'-P-C4' energy: -27.604
flat angles P-C4'-P energy: -17.960
tors. eta vs tors. theta energy: -26.531
Dist. restrs. and SS energy: 0.614 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -327.633209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.633209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.290027 (E_RNA)
where:
Base-Base interactions energy: -210.911
where: short stacking energy: -91.741
Base-Backbone interact. energy: -0.868
local terms energy: -116.511438
where:
bonds (distance) C4'-P energy: -20.917
bonds (distance) P-C4' energy: -26.604
flat angles C4'-P-C4' energy: -23.077
flat angles P-C4'-P energy: -16.115
tors. eta vs tors. theta energy: -29.797
Dist. restrs. and SS energy: 0.657 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -321.442900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.442900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.935241 (E_RNA)
where:
Base-Base interactions energy: -225.367
where: short stacking energy: -89.892
Base-Backbone interact. energy: 1.063
local terms energy: -97.630754
where:
bonds (distance) C4'-P energy: -16.523
bonds (distance) P-C4' energy: -22.138
flat angles C4'-P-C4' energy: -25.188
flat angles P-C4'-P energy: -12.536
tors. eta vs tors. theta energy: -21.245
Dist. restrs. and SS energy: 0.492 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -429.042747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.042747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.307275 (E_RNA)
where:
Base-Base interactions energy: -296.349
where: short stacking energy: -110.160
Base-Backbone interact. energy: -0.305
local terms energy: -132.652427
where:
bonds (distance) C4'-P energy: -23.939
bonds (distance) P-C4' energy: -31.753
flat angles C4'-P-C4' energy: -32.660
flat angles P-C4'-P energy: -15.503
tors. eta vs tors. theta energy: -28.798
Dist. restrs. and SS energy: 0.265 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -409.674239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.674239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.949198 (E_RNA)
where:
Base-Base interactions energy: -271.011
where: short stacking energy: -109.713
Base-Backbone interact. energy: -1.078
local terms energy: -137.860241
where:
bonds (distance) C4'-P energy: -26.081
bonds (distance) P-C4' energy: -24.346
flat angles C4'-P-C4' energy: -29.086
flat angles P-C4'-P energy: -24.292
tors. eta vs tors. theta energy: -34.055
Dist. restrs. and SS energy: 0.275 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -393.132452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.132452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.394631 (E_RNA)
where:
Base-Base interactions energy: -266.084
where: short stacking energy: -115.475
Base-Backbone interact. energy: -0.197
local terms energy: -127.113602
where:
bonds (distance) C4'-P energy: -24.788
bonds (distance) P-C4' energy: -25.426
flat angles C4'-P-C4' energy: -25.840
flat angles P-C4'-P energy: -17.271
tors. eta vs tors. theta energy: -33.789
Dist. restrs. and SS energy: 0.262 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -378.583587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.583587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.811388 (E_RNA)
where:
Base-Base interactions energy: -249.675
where: short stacking energy: -108.301
Base-Backbone interact. energy: -0.854
local terms energy: -128.282234
where:
bonds (distance) C4'-P energy: -25.545
bonds (distance) P-C4' energy: -27.778
flat angles C4'-P-C4' energy: -28.989
flat angles P-C4'-P energy: -11.627
tors. eta vs tors. theta energy: -34.343
Dist. restrs. and SS energy: 0.228 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -366.301322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.301322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.578434 (E_RNA)
where:
Base-Base interactions energy: -251.502
where: short stacking energy: -98.061
Base-Backbone interact. energy: -0.557
local terms energy: -114.518879
where:
bonds (distance) C4'-P energy: -26.734
bonds (distance) P-C4' energy: -19.029
flat angles C4'-P-C4' energy: -27.167
flat angles P-C4'-P energy: -11.671
tors. eta vs tors. theta energy: -29.918
Dist. restrs. and SS energy: 0.277 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -353.307761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.307761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.076523 (E_RNA)
where:
Base-Base interactions energy: -238.601
where: short stacking energy: -95.799
Base-Backbone interact. energy: -0.052
local terms energy: -115.422938
where:
bonds (distance) C4'-P energy: -29.806
bonds (distance) P-C4' energy: -23.654
flat angles C4'-P-C4' energy: -17.792
flat angles P-C4'-P energy: -14.580
tors. eta vs tors. theta energy: -29.591
Dist. restrs. and SS energy: 0.769 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -347.550119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.550119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.064169 (E_RNA)
where:
Base-Base interactions energy: -234.007
where: short stacking energy: -87.793
Base-Backbone interact. energy: -0.398
local terms energy: -113.659201
where:
bonds (distance) C4'-P energy: -26.572
bonds (distance) P-C4' energy: -25.993
flat angles C4'-P-C4' energy: -18.461
flat angles P-C4'-P energy: -17.511
tors. eta vs tors. theta energy: -25.122
Dist. restrs. and SS energy: 0.514 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -321.035690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.035690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.399562 (E_RNA)
where:
Base-Base interactions energy: -218.012
where: short stacking energy: -87.996
Base-Backbone interact. energy: 2.263
local terms energy: -105.651246
where:
bonds (distance) C4'-P energy: -27.690
bonds (distance) P-C4' energy: -20.494
flat angles C4'-P-C4' energy: -19.665
flat angles P-C4'-P energy: -17.799
tors. eta vs tors. theta energy: -20.004
Dist. restrs. and SS energy: 0.364 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -336.276351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.276351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.484477 (E_RNA)
where:
Base-Base interactions energy: -226.743
where: short stacking energy: -95.506
Base-Backbone interact. energy: -0.122
local terms energy: -109.619190
where:
bonds (distance) C4'-P energy: -23.865
bonds (distance) P-C4' energy: -20.827
flat angles C4'-P-C4' energy: -24.039
flat angles P-C4'-P energy: -13.273
tors. eta vs tors. theta energy: -27.615
Dist. restrs. and SS energy: 0.208 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -322.625383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.625383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.949752 (E_RNA)
where:
Base-Base interactions energy: -224.528
where: short stacking energy: -91.461
Base-Backbone interact. energy: -0.078
local terms energy: -98.343943
where:
bonds (distance) C4'-P energy: -24.191
bonds (distance) P-C4' energy: -24.495
flat angles C4'-P-C4' energy: -19.687
flat angles P-C4'-P energy: -12.283
tors. eta vs tors. theta energy: -17.688
Dist. restrs. and SS energy: 0.324 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -435.757780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.757780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.805184 (E_RNA)
where:
Base-Base interactions energy: -304.233
where: short stacking energy: -115.509
Base-Backbone interact. energy: 0.474
local terms energy: -132.046113
where:
bonds (distance) C4'-P energy: -28.365
bonds (distance) P-C4' energy: -26.908
flat angles C4'-P-C4' energy: -27.802
flat angles P-C4'-P energy: -17.854
tors. eta vs tors. theta energy: -31.117
Dist. restrs. and SS energy: 0.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -398.946825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.946825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.149172 (E_RNA)
where:
Base-Base interactions energy: -278.845
where: short stacking energy: -121.539
Base-Backbone interact. energy: -0.252
local terms energy: -120.052137
where:
bonds (distance) C4'-P energy: -19.007
bonds (distance) P-C4' energy: -25.534
flat angles C4'-P-C4' energy: -29.081
flat angles P-C4'-P energy: -15.257
tors. eta vs tors. theta energy: -31.174
Dist. restrs. and SS energy: 0.202 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -384.202498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.202498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.360891 (E_RNA)
where:
Base-Base interactions energy: -267.135
where: short stacking energy: -112.190
Base-Backbone interact. energy: -1.682
local terms energy: -115.543525
where:
bonds (distance) C4'-P energy: -24.049
bonds (distance) P-C4' energy: -27.054
flat angles C4'-P-C4' energy: -26.288
flat angles P-C4'-P energy: -13.416
tors. eta vs tors. theta energy: -24.736
Dist. restrs. and SS energy: 0.158 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -384.018915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.018915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.681634 (E_RNA)
where:
Base-Base interactions energy: -260.290
where: short stacking energy: -108.514
Base-Backbone interact. energy: -0.687
local terms energy: -123.704058
where:
bonds (distance) C4'-P energy: -19.935
bonds (distance) P-C4' energy: -23.671
flat angles C4'-P-C4' energy: -26.862
flat angles P-C4'-P energy: -20.169
tors. eta vs tors. theta energy: -33.067
Dist. restrs. and SS energy: 0.663 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -374.850450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.850450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.995397 (E_RNA)
where:
Base-Base interactions energy: -256.466
where: short stacking energy: -114.826
Base-Backbone interact. energy: 0.349
local terms energy: -118.878486
where:
bonds (distance) C4'-P energy: -20.729
bonds (distance) P-C4' energy: -26.418
flat angles C4'-P-C4' energy: -22.585
flat angles P-C4'-P energy: -17.791
tors. eta vs tors. theta energy: -31.356
Dist. restrs. and SS energy: 0.145 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -372.464012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.464012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.927228 (E_RNA)
where:
Base-Base interactions energy: -262.023
where: short stacking energy: -106.017
Base-Backbone interact. energy: -1.050
local terms energy: -109.853725
where:
bonds (distance) C4'-P energy: -16.193
bonds (distance) P-C4' energy: -27.303
flat angles C4'-P-C4' energy: -24.753
flat angles P-C4'-P energy: -12.505
tors. eta vs tors. theta energy: -29.099
Dist. restrs. and SS energy: 0.463 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -343.645390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.645390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.497345 (E_RNA)
where:
Base-Base interactions energy: -227.312
where: short stacking energy: -96.265
Base-Backbone interact. energy: -0.390
local terms energy: -116.795124
where:
bonds (distance) C4'-P energy: -26.107
bonds (distance) P-C4' energy: -25.500
flat angles C4'-P-C4' energy: -29.348
flat angles P-C4'-P energy: -11.586
tors. eta vs tors. theta energy: -24.254
Dist. restrs. and SS energy: 0.852 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -322.558685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.558685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.792395 (E_RNA)
where:
Base-Base interactions energy: -218.556
where: short stacking energy: -85.578
Base-Backbone interact. energy: -0.178
local terms energy: -104.058579
where:
bonds (distance) C4'-P energy: -23.737
bonds (distance) P-C4' energy: -15.731
flat angles C4'-P-C4' energy: -27.894
flat angles P-C4'-P energy: -17.231
tors. eta vs tors. theta energy: -19.466
Dist. restrs. and SS energy: 0.234 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -339.631899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.631899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.979138 (E_RNA)
where:
Base-Base interactions energy: -234.692
where: short stacking energy: -85.065
Base-Backbone interact. energy: -1.055
local terms energy: -104.232408
where:
bonds (distance) C4'-P energy: -25.421
bonds (distance) P-C4' energy: -19.923
flat angles C4'-P-C4' energy: -24.344
flat angles P-C4'-P energy: -17.362
tors. eta vs tors. theta energy: -17.183
Dist. restrs. and SS energy: 0.347 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -338.735130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.735130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.773840 (E_RNA)
where:
Base-Base interactions energy: -238.660
where: short stacking energy: -97.360
Base-Backbone interact. energy: -0.508
local terms energy: -99.606065
where:
bonds (distance) C4'-P energy: -12.366
bonds (distance) P-C4' energy: -28.354
flat angles C4'-P-C4' energy: -24.455
flat angles P-C4'-P energy: -6.458
tors. eta vs tors. theta energy: -27.972
Dist. restrs. and SS energy: 0.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -442.440330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.440330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.706989 (E_RNA)
where:
Base-Base interactions energy: -317.912
where: short stacking energy: -114.558
Base-Backbone interact. energy: 0.002
local terms energy: -124.796371
where:
bonds (distance) C4'-P energy: -24.590
bonds (distance) P-C4' energy: -25.097
flat angles C4'-P-C4' energy: -31.379
flat angles P-C4'-P energy: -13.468
tors. eta vs tors. theta energy: -30.261
Dist. restrs. and SS energy: 0.267 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -389.505104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.505104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.505104 (E_RNA)
where:
Base-Base interactions energy: -256.744
where: short stacking energy: -109.570
Base-Backbone interact. energy: -0.394
local terms energy: -132.367048
where:
bonds (distance) C4'-P energy: -28.436
bonds (distance) P-C4' energy: -31.076
flat angles C4'-P-C4' energy: -32.032
flat angles P-C4'-P energy: -12.403
tors. eta vs tors. theta energy: -28.420
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -394.833410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.833410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.053074 (E_RNA)
where:
Base-Base interactions energy: -257.135
where: short stacking energy: -106.671
Base-Backbone interact. energy: -0.487
local terms energy: -137.430794
where:
bonds (distance) C4'-P energy: -28.121
bonds (distance) P-C4' energy: -28.814
flat angles C4'-P-C4' energy: -31.850
flat angles P-C4'-P energy: -14.365
tors. eta vs tors. theta energy: -34.281
Dist. restrs. and SS energy: 0.220 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -380.286798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.286798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.323337 (E_RNA)
where:
Base-Base interactions energy: -244.740
where: short stacking energy: -100.007
Base-Backbone interact. energy: -0.805
local terms energy: -134.778840
where:
bonds (distance) C4'-P energy: -27.877
bonds (distance) P-C4' energy: -27.772
flat angles C4'-P-C4' energy: -30.170
flat angles P-C4'-P energy: -19.192
tors. eta vs tors. theta energy: -29.767
Dist. restrs. and SS energy: 0.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -384.343577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.343577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.644922 (E_RNA)
where:
Base-Base interactions energy: -253.819
where: short stacking energy: -104.069
Base-Backbone interact. energy: -0.208
local terms energy: -130.618195
where:
bonds (distance) C4'-P energy: -27.862
bonds (distance) P-C4' energy: -27.496
flat angles C4'-P-C4' energy: -30.399
flat angles P-C4'-P energy: -14.189
tors. eta vs tors. theta energy: -30.672
Dist. restrs. and SS energy: 0.301 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -361.065707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.065707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.113562 (E_RNA)
where:
Base-Base interactions energy: -237.913
where: short stacking energy: -101.537
Base-Backbone interact. energy: -0.201
local terms energy: -122.999651
where:
bonds (distance) C4'-P energy: -25.018
bonds (distance) P-C4' energy: -22.967
flat angles C4'-P-C4' energy: -24.132
flat angles P-C4'-P energy: -20.824
tors. eta vs tors. theta energy: -30.059
Dist. restrs. and SS energy: 0.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -348.869799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.869799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.159637 (E_RNA)
where:
Base-Base interactions energy: -243.165
where: short stacking energy: -93.801
Base-Backbone interact. energy: -1.455
local terms energy: -104.539529
where:
bonds (distance) C4'-P energy: -18.135
bonds (distance) P-C4' energy: -27.808
flat angles C4'-P-C4' energy: -24.123
flat angles P-C4'-P energy: -7.913
tors. eta vs tors. theta energy: -26.560
Dist. restrs. and SS energy: 0.290 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -331.231018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.231018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.916381 (E_RNA)
where:
Base-Base interactions energy: -232.712
where: short stacking energy: -93.778
Base-Backbone interact. energy: -0.614
local terms energy: -98.590096
where:
bonds (distance) C4'-P energy: -17.204
bonds (distance) P-C4' energy: -19.081
flat angles C4'-P-C4' energy: -20.913
flat angles P-C4'-P energy: -22.148
tors. eta vs tors. theta energy: -19.244
Dist. restrs. and SS energy: 0.685 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -336.612164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.612164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.888315 (E_RNA)
where:
Base-Base interactions energy: -233.917
where: short stacking energy: -88.522
Base-Backbone interact. energy: -0.446
local terms energy: -102.524929
where:
bonds (distance) C4'-P energy: -20.921
bonds (distance) P-C4' energy: -24.364
flat angles C4'-P-C4' energy: -21.835
flat angles P-C4'-P energy: -13.346
tors. eta vs tors. theta energy: -22.059
Dist. restrs. and SS energy: 0.276 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -303.018609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.018609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.611034 (E_RNA)
where:
Base-Base interactions energy: -204.767
where: short stacking energy: -72.087
Base-Backbone interact. energy: 0.065
local terms energy: -98.909426
where:
bonds (distance) C4'-P energy: -23.816
bonds (distance) P-C4' energy: -26.815
flat angles C4'-P-C4' energy: -16.209
flat angles P-C4'-P energy: -16.636
tors. eta vs tors. theta energy: -15.434
Dist. restrs. and SS energy: 0.592 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -433.811636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.811636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.983521 (E_RNA)
where:
Base-Base interactions energy: -300.428
where: short stacking energy: -110.351
Base-Backbone interact. energy: -0.361
local terms energy: -133.194475
where:
bonds (distance) C4'-P energy: -28.107
bonds (distance) P-C4' energy: -19.975
flat angles C4'-P-C4' energy: -30.411
flat angles P-C4'-P energy: -23.408
tors. eta vs tors. theta energy: -31.293
Dist. restrs. and SS energy: 0.172 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -401.796848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.796848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.213737 (E_RNA)
where:
Base-Base interactions energy: -266.848
where: short stacking energy: -121.574
Base-Backbone interact. energy: -1.423
local terms energy: -133.941874
where:
bonds (distance) C4'-P energy: -22.728
bonds (distance) P-C4' energy: -30.793
flat angles C4'-P-C4' energy: -28.850
flat angles P-C4'-P energy: -17.376
tors. eta vs tors. theta energy: -34.195
Dist. restrs. and SS energy: 0.417 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -396.960113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.960113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.008527 (E_RNA)
where:
Base-Base interactions energy: -261.261
where: short stacking energy: -109.013
Base-Backbone interact. energy: -0.696
local terms energy: -135.051021
where:
bonds (distance) C4'-P energy: -31.404
bonds (distance) P-C4' energy: -23.064
flat angles C4'-P-C4' energy: -27.109
flat angles P-C4'-P energy: -19.263
tors. eta vs tors. theta energy: -34.210
Dist. restrs. and SS energy: 0.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -389.526797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.526797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.616904 (E_RNA)
where:
Base-Base interactions energy: -256.212
where: short stacking energy: -115.958
Base-Backbone interact. energy: -1.962
local terms energy: -131.442389
where:
bonds (distance) C4'-P energy: -25.465
bonds (distance) P-C4' energy: -23.714
flat angles C4'-P-C4' energy: -28.102
flat angles P-C4'-P energy: -20.435
tors. eta vs tors. theta energy: -33.726
Dist. restrs. and SS energy: 0.090 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -382.213136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.213136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.063554 (E_RNA)
where:
Base-Base interactions energy: -264.163
where: short stacking energy: -98.698
Base-Backbone interact. energy: -0.220
local terms energy: -118.680418
where:
bonds (distance) C4'-P energy: -20.796
bonds (distance) P-C4' energy: -25.570
flat angles C4'-P-C4' energy: -27.008
flat angles P-C4'-P energy: -12.567
tors. eta vs tors. theta energy: -32.739
Dist. restrs. and SS energy: 0.850 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -364.738967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.738967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.941172 (E_RNA)
where:
Base-Base interactions energy: -237.300
where: short stacking energy: -98.383
Base-Backbone interact. energy: -0.625
local terms energy: -127.016058
where:
bonds (distance) C4'-P energy: -23.987
bonds (distance) P-C4' energy: -30.848
flat angles C4'-P-C4' energy: -28.421
flat angles P-C4'-P energy: -18.143
tors. eta vs tors. theta energy: -25.618
Dist. restrs. and SS energy: 0.202 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -337.378248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.378248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.867536 (E_RNA)
where:
Base-Base interactions energy: -226.064
where: short stacking energy: -94.054
Base-Backbone interact. energy: 0.161
local terms energy: -111.964026
where:
bonds (distance) C4'-P energy: -28.256
bonds (distance) P-C4' energy: -25.622
flat angles C4'-P-C4' energy: -24.151
flat angles P-C4'-P energy: -8.445
tors. eta vs tors. theta energy: -25.491
Dist. restrs. and SS energy: 0.489 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -341.130916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.130916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.763321 (E_RNA)
where:
Base-Base interactions energy: -235.785
where: short stacking energy: -82.959
Base-Backbone interact. energy: -1.057
local terms energy: -104.922015
where:
bonds (distance) C4'-P energy: -26.637
bonds (distance) P-C4' energy: -25.412
flat angles C4'-P-C4' energy: -20.857
flat angles P-C4'-P energy: -12.393
tors. eta vs tors. theta energy: -19.622
Dist. restrs. and SS energy: 0.632 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -318.433318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.433318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.766782 (E_RNA)
where:
Base-Base interactions energy: -216.150
where: short stacking energy: -83.141
Base-Backbone interact. energy: -0.636
local terms energy: -101.981508
where:
bonds (distance) C4'-P energy: -19.436
bonds (distance) P-C4' energy: -21.884
flat angles C4'-P-C4' energy: -28.372
flat angles P-C4'-P energy: -13.064
tors. eta vs tors. theta energy: -19.226
Dist. restrs. and SS energy: 0.333 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -323.764856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.764856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.104279 (E_RNA)
where:
Base-Base interactions energy: -213.024
where: short stacking energy: -80.210
Base-Backbone interact. energy: -0.247
local terms energy: -110.833471
where:
bonds (distance) C4'-P energy: -22.071
bonds (distance) P-C4' energy: -23.214
flat angles C4'-P-C4' energy: -21.620
flat angles P-C4'-P energy: -18.298
tors. eta vs tors. theta energy: -25.630
Dist. restrs. and SS energy: 0.339 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -444.453138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.453138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.998936 (E_RNA)
where:
Base-Base interactions energy: -304.236
where: short stacking energy: -110.379
Base-Backbone interact. energy: -0.525
local terms energy: -140.238560
where:
bonds (distance) C4'-P energy: -28.387
bonds (distance) P-C4' energy: -28.818
flat angles C4'-P-C4' energy: -28.460
flat angles P-C4'-P energy: -19.222
tors. eta vs tors. theta energy: -35.351
Dist. restrs. and SS energy: 0.546 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -399.939548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.939548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.000443 (E_RNA)
where:
Base-Base interactions energy: -270.824
where: short stacking energy: -112.661
Base-Backbone interact. energy: -0.302
local terms energy: -128.874057
where:
bonds (distance) C4'-P energy: -24.168
bonds (distance) P-C4' energy: -31.258
flat angles C4'-P-C4' energy: -29.403
flat angles P-C4'-P energy: -10.643
tors. eta vs tors. theta energy: -33.403
Dist. restrs. and SS energy: 0.061 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -392.073633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.073633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.230393 (E_RNA)
where:
Base-Base interactions energy: -255.567
where: short stacking energy: -103.321
Base-Backbone interact. energy: -0.440
local terms energy: -136.223462
where:
bonds (distance) C4'-P energy: -23.440
bonds (distance) P-C4' energy: -30.067
flat angles C4'-P-C4' energy: -32.209
flat angles P-C4'-P energy: -19.821
tors. eta vs tors. theta energy: -30.686
Dist. restrs. and SS energy: 0.157 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -391.148633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.148633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.174324 (E_RNA)
where:
Base-Base interactions energy: -268.002
where: short stacking energy: -116.961
Base-Backbone interact. energy: 0.859
local terms energy: -124.031390
where:
bonds (distance) C4'-P energy: -16.490
bonds (distance) P-C4' energy: -25.642
flat angles C4'-P-C4' energy: -29.678
flat angles P-C4'-P energy: -18.546
tors. eta vs tors. theta energy: -33.676
Dist. restrs. and SS energy: 0.026 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -370.856634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.856634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.307715 (E_RNA)
where:
Base-Base interactions energy: -256.047
where: short stacking energy: -107.616
Base-Backbone interact. energy: -0.160
local terms energy: -115.100756
where:
bonds (distance) C4'-P energy: -24.337
bonds (distance) P-C4' energy: -21.210
flat angles C4'-P-C4' energy: -22.923
flat angles P-C4'-P energy: -13.568
tors. eta vs tors. theta energy: -33.063
Dist. restrs. and SS energy: 0.451 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -367.070273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.070273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.572292 (E_RNA)
where:
Base-Base interactions energy: -247.980
where: short stacking energy: -97.505
Base-Backbone interact. energy: 0.159
local terms energy: -119.751105
where:
bonds (distance) C4'-P energy: -20.319
bonds (distance) P-C4' energy: -25.443
flat angles C4'-P-C4' energy: -30.709
flat angles P-C4'-P energy: -18.667
tors. eta vs tors. theta energy: -24.612
Dist. restrs. and SS energy: 0.502 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -342.287548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.287548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.299768 (E_RNA)
where:
Base-Base interactions energy: -231.373
where: short stacking energy: -94.295
Base-Backbone interact. energy: 0.613
local terms energy: -111.539973
where:
bonds (distance) C4'-P energy: -18.393
bonds (distance) P-C4' energy: -27.910
flat angles C4'-P-C4' energy: -23.876
flat angles P-C4'-P energy: -13.877
tors. eta vs tors. theta energy: -27.484
Dist. restrs. and SS energy: 0.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -336.897753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.897753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.126521 (E_RNA)
where:
Base-Base interactions energy: -229.566
where: short stacking energy: -81.544
Base-Backbone interact. energy: -1.507
local terms energy: -106.053486
where:
bonds (distance) C4'-P energy: -19.618
bonds (distance) P-C4' energy: -25.913
flat angles C4'-P-C4' energy: -27.018
flat angles P-C4'-P energy: -15.994
tors. eta vs tors. theta energy: -17.511
Dist. restrs. and SS energy: 0.229 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -316.978645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.978645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.712993 (E_RNA)
where:
Base-Base interactions energy: -225.136
where: short stacking energy: -91.316
Base-Backbone interact. energy: -0.675
local terms energy: -91.902446
where:
bonds (distance) C4'-P energy: -19.477
bonds (distance) P-C4' energy: -14.251
flat angles C4'-P-C4' energy: -26.899
flat angles P-C4'-P energy: -9.451
tors. eta vs tors. theta energy: -21.824
Dist. restrs. and SS energy: 0.734 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -304.753222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.753222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.661038 (E_RNA)
where:
Base-Base interactions energy: -211.329
where: short stacking energy: -73.023
Base-Backbone interact. energy: 5.411
local terms energy: -99.743195
where:
bonds (distance) C4'-P energy: -25.451
bonds (distance) P-C4' energy: -18.151
flat angles C4'-P-C4' energy: -22.851
flat angles P-C4'-P energy: -20.781
tors. eta vs tors. theta energy: -12.509
Dist. restrs. and SS energy: 0.908 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -440.515930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.515930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.518195 (E_RNA)
where:
Base-Base interactions energy: -296.966
where: short stacking energy: -101.770
Base-Backbone interact. energy: -0.454
local terms energy: -143.098784
where:
bonds (distance) C4'-P energy: -29.902
bonds (distance) P-C4' energy: -28.723
flat angles C4'-P-C4' energy: -30.680
flat angles P-C4'-P energy: -20.724
tors. eta vs tors. theta energy: -33.070
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -405.756703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.756703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.760296 (E_RNA)
where:
Base-Base interactions energy: -272.232
where: short stacking energy: -109.647
Base-Backbone interact. energy: -0.250
local terms energy: -133.279144
where:
bonds (distance) C4'-P energy: -27.305
bonds (distance) P-C4' energy: -27.740
flat angles C4'-P-C4' energy: -31.631
flat angles P-C4'-P energy: -16.472
tors. eta vs tors. theta energy: -30.130
Dist. restrs. and SS energy: 0.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -392.836244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.836244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.293699 (E_RNA)
where:
Base-Base interactions energy: -262.435
where: short stacking energy: -117.655
Base-Backbone interact. energy: -0.430
local terms energy: -130.428089
where:
bonds (distance) C4'-P energy: -24.094
bonds (distance) P-C4' energy: -29.282
flat angles C4'-P-C4' energy: -26.628
flat angles P-C4'-P energy: -18.625
tors. eta vs tors. theta energy: -31.800
Dist. restrs. and SS energy: 0.457 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -389.850002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.850002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.087277 (E_RNA)
where:
Base-Base interactions energy: -258.371
where: short stacking energy: -109.678
Base-Backbone interact. energy: 0.102
local terms energy: -131.818699
where:
bonds (distance) C4'-P energy: -22.568
bonds (distance) P-C4' energy: -31.162
flat angles C4'-P-C4' energy: -29.021
flat angles P-C4'-P energy: -14.219
tors. eta vs tors. theta energy: -34.848
Dist. restrs. and SS energy: 0.237 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -363.544567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.544567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.939371 (E_RNA)
where:
Base-Base interactions energy: -252.350
where: short stacking energy: -110.360
Base-Backbone interact. energy: -0.063
local terms energy: -111.525942
where:
bonds (distance) C4'-P energy: -24.280
bonds (distance) P-C4' energy: -22.446
flat angles C4'-P-C4' energy: -26.631
flat angles P-C4'-P energy: -14.778
tors. eta vs tors. theta energy: -23.391
Dist. restrs. and SS energy: 0.395 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -345.628891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.628891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.159903 (E_RNA)
where:
Base-Base interactions energy: -222.809
where: short stacking energy: -90.806
Base-Backbone interact. energy: 1.405
local terms energy: -124.756585
where:
bonds (distance) C4'-P energy: -29.955
bonds (distance) P-C4' energy: -26.186
flat angles C4'-P-C4' energy: -27.302
flat angles P-C4'-P energy: -15.194
tors. eta vs tors. theta energy: -26.119
Dist. restrs. and SS energy: 0.531 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -351.098505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.098505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.602345 (E_RNA)
where:
Base-Base interactions energy: -227.550
where: short stacking energy: -96.508
Base-Backbone interact. energy: 0.930
local terms energy: -124.982973
where:
bonds (distance) C4'-P energy: -17.733
bonds (distance) P-C4' energy: -25.620
flat angles C4'-P-C4' energy: -32.613
flat angles P-C4'-P energy: -19.574
tors. eta vs tors. theta energy: -29.443
Dist. restrs. and SS energy: 0.504 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -320.663485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.663485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.847091 (E_RNA)
where:
Base-Base interactions energy: -223.404
where: short stacking energy: -91.672
Base-Backbone interact. energy: 2.176
local terms energy: -99.618206
where:
bonds (distance) C4'-P energy: -15.494
bonds (distance) P-C4' energy: -27.530
flat angles C4'-P-C4' energy: -23.043
flat angles P-C4'-P energy: -12.942
tors. eta vs tors. theta energy: -20.610
Dist. restrs. and SS energy: 0.184 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -315.889578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.889578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.113471 (E_RNA)
where:
Base-Base interactions energy: -212.045
where: short stacking energy: -83.082
Base-Backbone interact. energy: -0.877
local terms energy: -103.190635
where:
bonds (distance) C4'-P energy: -26.159
bonds (distance) P-C4' energy: -24.212
flat angles C4'-P-C4' energy: -24.886
flat angles P-C4'-P energy: -10.792
tors. eta vs tors. theta energy: -17.140
Dist. restrs. and SS energy: 0.224 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -302.779228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.779228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.135645 (E_RNA)
where:
Base-Base interactions energy: -206.027
where: short stacking energy: -80.911
Base-Backbone interact. energy: -0.215
local terms energy: -96.894019
where:
bonds (distance) C4'-P energy: -24.017
bonds (distance) P-C4' energy: -23.248
flat angles C4'-P-C4' energy: -17.650
flat angles P-C4'-P energy: -9.123
tors. eta vs tors. theta energy: -22.856
Dist. restrs. and SS energy: 0.356 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -402.944064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.944064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.013402 (E_RNA)
where:
Base-Base interactions energy: -272.092
where: short stacking energy: -118.189
Base-Backbone interact. energy: -0.239
local terms energy: -130.683099
where:
bonds (distance) C4'-P energy: -22.533
bonds (distance) P-C4' energy: -29.754
flat angles C4'-P-C4' energy: -28.455
flat angles P-C4'-P energy: -18.229
tors. eta vs tors. theta energy: -31.712
Dist. restrs. and SS energy: 0.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -424.731059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.731059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.864700 (E_RNA)
where:
Base-Base interactions energy: -293.265
where: short stacking energy: -114.348
Base-Backbone interact. energy: -0.573
local terms energy: -131.026867
where:
bonds (distance) C4'-P energy: -27.007
bonds (distance) P-C4' energy: -27.863
flat angles C4'-P-C4' energy: -31.811
flat angles P-C4'-P energy: -13.281
tors. eta vs tors. theta energy: -31.065
Dist. restrs. and SS energy: 0.134 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -401.079430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.079430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.688518 (E_RNA)
where:
Base-Base interactions energy: -260.556
where: short stacking energy: -114.770
Base-Backbone interact. energy: -0.665
local terms energy: -140.467237
where:
bonds (distance) C4'-P energy: -23.737
bonds (distance) P-C4' energy: -30.788
flat angles C4'-P-C4' energy: -30.071
flat angles P-C4'-P energy: -18.955
tors. eta vs tors. theta energy: -36.917
Dist. restrs. and SS energy: 0.609 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -390.450336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.450336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.752891 (E_RNA)
where:
Base-Base interactions energy: -280.784
where: short stacking energy: -106.239
Base-Backbone interact. energy: -0.173
local terms energy: -109.796027
where:
bonds (distance) C4'-P energy: -24.252
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -29.483
flat angles P-C4'-P energy: -7.158
tors. eta vs tors. theta energy: -31.857
Dist. restrs. and SS energy: 0.303 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -350.252406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.252406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.523248 (E_RNA)
where:
Base-Base interactions energy: -235.140
where: short stacking energy: -95.864
Base-Backbone interact. energy: -0.197
local terms energy: -115.186528
where:
bonds (distance) C4'-P energy: -27.832
bonds (distance) P-C4' energy: -20.666
flat angles C4'-P-C4' energy: -28.725
flat angles P-C4'-P energy: -16.390
tors. eta vs tors. theta energy: -21.574
Dist. restrs. and SS energy: 0.271 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -377.936624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.936624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.049421 (E_RNA)
where:
Base-Base interactions energy: -267.718
where: short stacking energy: -118.110
Base-Backbone interact. energy: -0.508
local terms energy: -109.823907
where:
bonds (distance) C4'-P energy: -22.409
bonds (distance) P-C4' energy: -16.659
flat angles C4'-P-C4' energy: -29.381
flat angles P-C4'-P energy: -11.904
tors. eta vs tors. theta energy: -29.471
Dist. restrs. and SS energy: 0.113 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -356.210075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.210075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.532800 (E_RNA)
where:
Base-Base interactions energy: -232.886
where: short stacking energy: -95.457
Base-Backbone interact. energy: -0.343
local terms energy: -123.303730
where:
bonds (distance) C4'-P energy: -29.268
bonds (distance) P-C4' energy: -23.778
flat angles C4'-P-C4' energy: -29.455
flat angles P-C4'-P energy: -14.319
tors. eta vs tors. theta energy: -26.484
Dist. restrs. and SS energy: 0.323 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -342.292439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.292439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.350278 (E_RNA)
where:
Base-Base interactions energy: -222.307
where: short stacking energy: -85.837
Base-Backbone interact. energy: -0.218
local terms energy: -119.826013
where:
bonds (distance) C4'-P energy: -29.087
bonds (distance) P-C4' energy: -24.851
flat angles C4'-P-C4' energy: -22.803
flat angles P-C4'-P energy: -18.549
tors. eta vs tors. theta energy: -24.535
Dist. restrs. and SS energy: 0.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -304.215136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.215136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.668288 (E_RNA)
where:
Base-Base interactions energy: -209.246
where: short stacking energy: -78.191
Base-Backbone interact. energy: -0.199
local terms energy: -95.223405
where:
bonds (distance) C4'-P energy: -15.651
bonds (distance) P-C4' energy: -26.605
flat angles C4'-P-C4' energy: -22.777
flat angles P-C4'-P energy: -11.122
tors. eta vs tors. theta energy: -19.069
Dist. restrs. and SS energy: 0.453 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -320.869977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.869977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.983651 (E_RNA)
where:
Base-Base interactions energy: -210.460
where: short stacking energy: -79.372
Base-Backbone interact. energy: 2.819
local terms energy: -113.343002
where:
bonds (distance) C4'-P energy: -15.432
bonds (distance) P-C4' energy: -26.779
flat angles C4'-P-C4' energy: -19.905
flat angles P-C4'-P energy: -21.066
tors. eta vs tors. theta energy: -30.161
Dist. restrs. and SS energy: 0.114 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -422.073866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.073866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.258590 (E_RNA)
where:
Base-Base interactions energy: -286.729
where: short stacking energy: -115.869
Base-Backbone interact. energy: -0.330
local terms energy: -135.199847
where:
bonds (distance) C4'-P energy: -26.042
bonds (distance) P-C4' energy: -29.556
flat angles C4'-P-C4' energy: -31.224
flat angles P-C4'-P energy: -15.493
tors. eta vs tors. theta energy: -32.885
Dist. restrs. and SS energy: 0.185 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -430.123123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.123123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.559194 (E_RNA)
where:
Base-Base interactions energy: -296.098
where: short stacking energy: -101.232
Base-Backbone interact. energy: -0.430
local terms energy: -134.031134
where:
bonds (distance) C4'-P energy: -27.770
bonds (distance) P-C4' energy: -26.744
flat angles C4'-P-C4' energy: -28.943
flat angles P-C4'-P energy: -16.874
tors. eta vs tors. theta energy: -33.700
Dist. restrs. and SS energy: 0.436 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -394.047943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.047943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.225140 (E_RNA)
where:
Base-Base interactions energy: -260.745
where: short stacking energy: -98.841
Base-Backbone interact. energy: 0.670
local terms energy: -134.150020
where:
bonds (distance) C4'-P energy: -31.221
bonds (distance) P-C4' energy: -27.921
flat angles C4'-P-C4' energy: -26.499
flat angles P-C4'-P energy: -22.100
tors. eta vs tors. theta energy: -26.409
Dist. restrs. and SS energy: 0.177 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -359.031883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.031883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.182239 (E_RNA)
where:
Base-Base interactions energy: -234.715
where: short stacking energy: -96.000
Base-Backbone interact. energy: -0.289
local terms energy: -124.178010
where:
bonds (distance) C4'-P energy: -23.957
bonds (distance) P-C4' energy: -27.368
flat angles C4'-P-C4' energy: -23.568
flat angles P-C4'-P energy: -24.369
tors. eta vs tors. theta energy: -24.916
Dist. restrs. and SS energy: 0.150 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -374.156042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.156042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.252344 (E_RNA)
where:
Base-Base interactions energy: -255.028
where: short stacking energy: -90.263
Base-Backbone interact. energy: -0.535
local terms energy: -118.689045
where:
bonds (distance) C4'-P energy: -22.645
bonds (distance) P-C4' energy: -27.757
flat angles C4'-P-C4' energy: -26.914
flat angles P-C4'-P energy: -17.026
tors. eta vs tors. theta energy: -24.348
Dist. restrs. and SS energy: 0.096 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -368.403984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.403984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.050534 (E_RNA)
where:
Base-Base interactions energy: -246.749
where: short stacking energy: -99.843
Base-Backbone interact. energy: -0.769
local terms energy: -121.532294
where:
bonds (distance) C4'-P energy: -21.640
bonds (distance) P-C4' energy: -27.108
flat angles C4'-P-C4' energy: -27.728
flat angles P-C4'-P energy: -13.685
tors. eta vs tors. theta energy: -31.370
Dist. restrs. and SS energy: 0.647 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -349.817667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.817667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.205963 (E_RNA)
where:
Base-Base interactions energy: -228.514
where: short stacking energy: -92.771
Base-Backbone interact. energy: -0.058
local terms energy: -121.633426
where:
bonds (distance) C4'-P energy: -23.199
bonds (distance) P-C4' energy: -27.772
flat angles C4'-P-C4' energy: -28.187
flat angles P-C4'-P energy: -18.198
tors. eta vs tors. theta energy: -24.278
Dist. restrs. and SS energy: 0.388 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -332.496066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.496066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.785847 (E_RNA)
where:
Base-Base interactions energy: -223.914
where: short stacking energy: -79.577
Base-Backbone interact. energy: -0.482
local terms energy: -108.388921
where:
bonds (distance) C4'-P energy: -18.726
bonds (distance) P-C4' energy: -25.492
flat angles C4'-P-C4' energy: -27.827
flat angles P-C4'-P energy: -15.129
tors. eta vs tors. theta energy: -21.215
Dist. restrs. and SS energy: 0.290 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -296.861857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.861857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.630400 (E_RNA)
where:
Base-Base interactions energy: -207.789
where: short stacking energy: -73.664
Base-Backbone interact. energy: 0.203
local terms energy: -90.044268
where:
bonds (distance) C4'-P energy: -17.880
bonds (distance) P-C4' energy: -20.514
flat angles C4'-P-C4' energy: -23.277
flat angles P-C4'-P energy: -11.374
tors. eta vs tors. theta energy: -17.000
Dist. restrs. and SS energy: 0.769 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -323.559423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.559423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.263090 (E_RNA)
where:
Base-Base interactions energy: -224.930
where: short stacking energy: -97.186
Base-Backbone interact. energy: -0.348
local terms energy: -98.985645
where:
bonds (distance) C4'-P energy: -21.906
bonds (distance) P-C4' energy: -17.604
flat angles C4'-P-C4' energy: -17.910
flat angles P-C4'-P energy: -12.953
tors. eta vs tors. theta energy: -28.612
Dist. restrs. and SS energy: 0.704 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -439.764729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.764729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.283177 (E_RNA)
where:
Base-Base interactions energy: -306.176
where: short stacking energy: -117.348
Base-Backbone interact. energy: -0.339
local terms energy: -133.767330
where:
bonds (distance) C4'-P energy: -23.329
bonds (distance) P-C4' energy: -25.442
flat angles C4'-P-C4' energy: -29.666
flat angles P-C4'-P energy: -21.610
tors. eta vs tors. theta energy: -33.719
Dist. restrs. and SS energy: 0.518 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -409.835426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.835426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.888984 (E_RNA)
where:
Base-Base interactions energy: -270.328
where: short stacking energy: -113.989
Base-Backbone interact. energy: -0.331
local terms energy: -139.230608
where:
bonds (distance) C4'-P energy: -27.313
bonds (distance) P-C4' energy: -29.800
flat angles C4'-P-C4' energy: -31.547
flat angles P-C4'-P energy: -17.404
tors. eta vs tors. theta energy: -33.167
Dist. restrs. and SS energy: 0.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -389.542401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.542401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.706028 (E_RNA)
where:
Base-Base interactions energy: -257.769
where: short stacking energy: -106.492
Base-Backbone interact. energy: -0.717
local terms energy: -131.220211
where:
bonds (distance) C4'-P energy: -24.863
bonds (distance) P-C4' energy: -31.143
flat angles C4'-P-C4' energy: -23.643
flat angles P-C4'-P energy: -18.853
tors. eta vs tors. theta energy: -32.718
Dist. restrs. and SS energy: 0.164 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -365.031510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.031510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.192752 (E_RNA)
where:
Base-Base interactions energy: -240.236
where: short stacking energy: -98.828
Base-Backbone interact. energy: -1.548
local terms energy: -123.408663
where:
bonds (distance) C4'-P energy: -28.300
bonds (distance) P-C4' energy: -17.992
flat angles C4'-P-C4' energy: -31.324
flat angles P-C4'-P energy: -18.390
tors. eta vs tors. theta energy: -27.402
Dist. restrs. and SS energy: 0.161 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -380.475516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.475516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.733083 (E_RNA)
where:
Base-Base interactions energy: -258.751
where: short stacking energy: -103.431
Base-Backbone interact. energy: -0.408
local terms energy: -121.573678
where:
bonds (distance) C4'-P energy: -25.943
bonds (distance) P-C4' energy: -27.564
flat angles C4'-P-C4' energy: -24.440
flat angles P-C4'-P energy: -12.987
tors. eta vs tors. theta energy: -30.640
Dist. restrs. and SS energy: 0.258 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -367.013168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.013168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.140139 (E_RNA)
where:
Base-Base interactions energy: -250.352
where: short stacking energy: -99.466
Base-Backbone interact. energy: -0.375
local terms energy: -116.413636
where:
bonds (distance) C4'-P energy: -22.044
bonds (distance) P-C4' energy: -22.971
flat angles C4'-P-C4' energy: -25.703
flat angles P-C4'-P energy: -18.130
tors. eta vs tors. theta energy: -27.566
Dist. restrs. and SS energy: 0.127 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -369.690866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.690866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.258667 (E_RNA)
where:
Base-Base interactions energy: -248.462
where: short stacking energy: -103.478
Base-Backbone interact. energy: -0.854
local terms energy: -120.943331
where:
bonds (distance) C4'-P energy: -25.736
bonds (distance) P-C4' energy: -20.496
flat angles C4'-P-C4' energy: -24.885
flat angles P-C4'-P energy: -14.221
tors. eta vs tors. theta energy: -35.606
Dist. restrs. and SS energy: 0.568 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -325.817030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.817030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.330124 (E_RNA)
where:
Base-Base interactions energy: -223.076
where: short stacking energy: -87.091
Base-Backbone interact. energy: -1.044
local terms energy: -102.209508
where:
bonds (distance) C4'-P energy: -19.394
bonds (distance) P-C4' energy: -22.740
flat angles C4'-P-C4' energy: -23.241
flat angles P-C4'-P energy: -17.369
tors. eta vs tors. theta energy: -19.465
Dist. restrs. and SS energy: 0.513 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -341.391113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.391113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.093554 (E_RNA)
where:
Base-Base interactions energy: -237.298
where: short stacking energy: -88.449
Base-Backbone interact. energy: -0.948
local terms energy: -103.846852
where:
bonds (distance) C4'-P energy: -22.051
bonds (distance) P-C4' energy: -21.998
flat angles C4'-P-C4' energy: -26.062
flat angles P-C4'-P energy: -8.018
tors. eta vs tors. theta energy: -25.719
Dist. restrs. and SS energy: 0.702 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -305.954095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.954095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.990334 (E_RNA)
where:
Base-Base interactions energy: -211.791
where: short stacking energy: -77.500
Base-Backbone interact. energy: 2.338
local terms energy: -100.537069
where:
bonds (distance) C4'-P energy: -14.291
bonds (distance) P-C4' energy: -25.704
flat angles C4'-P-C4' energy: -24.023
flat angles P-C4'-P energy: -16.833
tors. eta vs tors. theta energy: -19.685
Dist. restrs. and SS energy: 4.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -441.311953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.311953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.474839 (E_RNA)
where:
Base-Base interactions energy: -302.688
where: short stacking energy: -105.330
Base-Backbone interact. energy: -0.356
local terms energy: -138.430296
where:
bonds (distance) C4'-P energy: -26.859
bonds (distance) P-C4' energy: -25.134
flat angles C4'-P-C4' energy: -30.479
flat angles P-C4'-P energy: -18.891
tors. eta vs tors. theta energy: -37.068
Dist. restrs. and SS energy: 0.163 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -400.182818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.182818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.422172 (E_RNA)
where:
Base-Base interactions energy: -272.997
where: short stacking energy: -117.666
Base-Backbone interact. energy: -0.888
local terms energy: -126.537787
where:
bonds (distance) C4'-P energy: -19.314
bonds (distance) P-C4' energy: -25.326
flat angles C4'-P-C4' energy: -30.469
flat angles P-C4'-P energy: -18.424
tors. eta vs tors. theta energy: -33.005
Dist. restrs. and SS energy: 0.239 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -410.386988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.386988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.890725 (E_RNA)
where:
Base-Base interactions energy: -279.981
where: short stacking energy: -121.335
Base-Backbone interact. energy: -0.448
local terms energy: -130.461356
where:
bonds (distance) C4'-P energy: -26.760
bonds (distance) P-C4' energy: -24.467
flat angles C4'-P-C4' energy: -29.990
flat angles P-C4'-P energy: -18.311
tors. eta vs tors. theta energy: -30.933
Dist. restrs. and SS energy: 0.504 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -407.167552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.167552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.252409 (E_RNA)
where:
Base-Base interactions energy: -279.552
where: short stacking energy: -105.595
Base-Backbone interact. energy: -0.560
local terms energy: -127.140063
where:
bonds (distance) C4'-P energy: -24.896
bonds (distance) P-C4' energy: -24.894
flat angles C4'-P-C4' energy: -25.678
flat angles P-C4'-P energy: -19.799
tors. eta vs tors. theta energy: -31.874
Dist. restrs. and SS energy: 0.085 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -364.125476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.125476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.194969 (E_RNA)
where:
Base-Base interactions energy: -242.601
where: short stacking energy: -98.366
Base-Backbone interact. energy: 0.496
local terms energy: -122.089336
where:
bonds (distance) C4'-P energy: -26.211
bonds (distance) P-C4' energy: -26.680
flat angles C4'-P-C4' energy: -25.603
flat angles P-C4'-P energy: -14.448
tors. eta vs tors. theta energy: -29.147
Dist. restrs. and SS energy: 0.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -370.043673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.043673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.414687 (E_RNA)
where:
Base-Base interactions energy: -244.617
where: short stacking energy: -102.188
Base-Backbone interact. energy: -0.591
local terms energy: -125.206922
where:
bonds (distance) C4'-P energy: -23.894
bonds (distance) P-C4' energy: -19.261
flat angles C4'-P-C4' energy: -31.168
flat angles P-C4'-P energy: -23.730
tors. eta vs tors. theta energy: -27.154
Dist. restrs. and SS energy: 0.371 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -344.847577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.847577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.034370 (E_RNA)
where:
Base-Base interactions energy: -230.528
where: short stacking energy: -89.498
Base-Backbone interact. energy: -0.505
local terms energy: -114.001308
where:
bonds (distance) C4'-P energy: -20.313
bonds (distance) P-C4' energy: -25.308
flat angles C4'-P-C4' energy: -29.431
flat angles P-C4'-P energy: -15.453
tors. eta vs tors. theta energy: -23.496
Dist. restrs. and SS energy: 0.187 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -333.628004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.628004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.372892 (E_RNA)
where:
Base-Base interactions energy: -221.001
where: short stacking energy: -88.341
Base-Backbone interact. energy: -0.255
local terms energy: -113.117250
where:
bonds (distance) C4'-P energy: -23.451
bonds (distance) P-C4' energy: -23.284
flat angles C4'-P-C4' energy: -21.374
flat angles P-C4'-P energy: -20.839
tors. eta vs tors. theta energy: -24.170
Dist. restrs. and SS energy: 0.745 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -347.443948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.443948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.452704 (E_RNA)
where:
Base-Base interactions energy: -232.868
where: short stacking energy: -91.901
Base-Backbone interact. energy: -0.191
local terms energy: -114.394104
where:
bonds (distance) C4'-P energy: -26.804
bonds (distance) P-C4' energy: -23.066
flat angles C4'-P-C4' energy: -23.371
flat angles P-C4'-P energy: -16.734
tors. eta vs tors. theta energy: -24.420
Dist. restrs. and SS energy: 0.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -316.994183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.994183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.293014 (E_RNA)
where:
Base-Base interactions energy: -219.477
where: short stacking energy: -85.077
Base-Backbone interact. energy: 0.790
local terms energy: -102.605862
where:
bonds (distance) C4'-P energy: -26.248
bonds (distance) P-C4' energy: -23.830
flat angles C4'-P-C4' energy: -20.169
flat angles P-C4'-P energy: -9.875
tors. eta vs tors. theta energy: -22.485
Dist. restrs. and SS energy: 4.299 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -432.305857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.305857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.387765 (E_RNA)
where:
Base-Base interactions energy: -297.459
where: short stacking energy: -117.251
Base-Backbone interact. energy: -0.303
local terms energy: -134.625996
where:
bonds (distance) C4'-P energy: -29.541
bonds (distance) P-C4' energy: -27.198
flat angles C4'-P-C4' energy: -27.353
flat angles P-C4'-P energy: -18.549
tors. eta vs tors. theta energy: -31.986
Dist. restrs. and SS energy: 0.082 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -401.200767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.200767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.245258 (E_RNA)
where:
Base-Base interactions energy: -266.780
where: short stacking energy: -104.400
Base-Backbone interact. energy: 2.228
local terms energy: -136.693401
where:
bonds (distance) C4'-P energy: -28.084
bonds (distance) P-C4' energy: -25.380
flat angles C4'-P-C4' energy: -31.210
flat angles P-C4'-P energy: -15.777
tors. eta vs tors. theta energy: -36.243
Dist. restrs. and SS energy: 0.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -403.884861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.884861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.267734 (E_RNA)
where:
Base-Base interactions energy: -278.273
where: short stacking energy: -104.954
Base-Backbone interact. energy: 0.436
local terms energy: -126.430783
where:
bonds (distance) C4'-P energy: -21.804
bonds (distance) P-C4' energy: -27.151
flat angles C4'-P-C4' energy: -24.651
flat angles P-C4'-P energy: -22.307
tors. eta vs tors. theta energy: -30.518
Dist. restrs. and SS energy: 0.383 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -388.743408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.743408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.017846 (E_RNA)
where:
Base-Base interactions energy: -261.123
where: short stacking energy: -116.822
Base-Backbone interact. energy: -0.545
local terms energy: -127.350186
where:
bonds (distance) C4'-P energy: -25.215
bonds (distance) P-C4' energy: -26.525
flat angles C4'-P-C4' energy: -30.584
flat angles P-C4'-P energy: -9.250
tors. eta vs tors. theta energy: -35.777
Dist. restrs. and SS energy: 0.274 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -388.883253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.883253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.094210 (E_RNA)
where:
Base-Base interactions energy: -273.158
where: short stacking energy: -108.134
Base-Backbone interact. energy: -0.463
local terms energy: -115.473381
where:
bonds (distance) C4'-P energy: -23.574
bonds (distance) P-C4' energy: -25.558
flat angles C4'-P-C4' energy: -24.277
flat angles P-C4'-P energy: -15.093
tors. eta vs tors. theta energy: -26.971
Dist. restrs. and SS energy: 0.211 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -351.680731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.680731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.845210 (E_RNA)
where:
Base-Base interactions energy: -244.107
where: short stacking energy: -88.959
Base-Backbone interact. energy: 0.399
local terms energy: -108.137780
where:
bonds (distance) C4'-P energy: -23.042
bonds (distance) P-C4' energy: -27.001
flat angles C4'-P-C4' energy: -20.011
flat angles P-C4'-P energy: -14.885
tors. eta vs tors. theta energy: -23.198
Dist. restrs. and SS energy: 0.164 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -337.561087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.561087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.146735 (E_RNA)
where:
Base-Base interactions energy: -210.324
where: short stacking energy: -82.389
Base-Backbone interact. energy: -0.093
local terms energy: -127.730286
where:
bonds (distance) C4'-P energy: -24.374
bonds (distance) P-C4' energy: -25.891
flat angles C4'-P-C4' energy: -28.762
flat angles P-C4'-P energy: -19.352
tors. eta vs tors. theta energy: -29.350
Dist. restrs. and SS energy: 0.586 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -352.546557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.546557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.698799 (E_RNA)
where:
Base-Base interactions energy: -232.821
where: short stacking energy: -92.804
Base-Backbone interact. energy: -0.472
local terms energy: -119.405410
where:
bonds (distance) C4'-P energy: -25.767
bonds (distance) P-C4' energy: -27.663
flat angles C4'-P-C4' energy: -20.647
flat angles P-C4'-P energy: -21.970
tors. eta vs tors. theta energy: -23.358
Dist. restrs. and SS energy: 0.152 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -337.534574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.534574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.709386 (E_RNA)
where:
Base-Base interactions energy: -244.193
where: short stacking energy: -85.281
Base-Backbone interact. energy: -0.512
local terms energy: -93.004297
where:
bonds (distance) C4'-P energy: -13.214
bonds (distance) P-C4' energy: -28.645
flat angles C4'-P-C4' energy: -20.393
flat angles P-C4'-P energy: -8.447
tors. eta vs tors. theta energy: -22.305
Dist. restrs. and SS energy: 0.175 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -324.644348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.644348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.975211 (E_RNA)
where:
Base-Base interactions energy: -217.926
where: short stacking energy: -86.652
Base-Backbone interact. energy: 1.005
local terms energy: -108.053977
where:
bonds (distance) C4'-P energy: -24.233
bonds (distance) P-C4' energy: -27.032
flat angles C4'-P-C4' energy: -20.689
flat angles P-C4'-P energy: -16.005
tors. eta vs tors. theta energy: -20.094
Dist. restrs. and SS energy: 0.331 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -448.685401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.685401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.336711 (E_RNA)
where:
Base-Base interactions energy: -304.241
where: short stacking energy: -118.571
Base-Backbone interact. energy: -0.531
local terms energy: -144.565047
where:
bonds (distance) C4'-P energy: -28.001
bonds (distance) P-C4' energy: -30.182
flat angles C4'-P-C4' energy: -32.452
flat angles P-C4'-P energy: -21.511
tors. eta vs tors. theta energy: -32.419
Dist. restrs. and SS energy: 0.651 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -401.225915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.225915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.447861 (E_RNA)
where:
Base-Base interactions energy: -276.876
where: short stacking energy: -113.114
Base-Backbone interact. energy: -0.744
local terms energy: -123.828334
where:
bonds (distance) C4'-P energy: -22.915
bonds (distance) P-C4' energy: -27.508
flat angles C4'-P-C4' energy: -24.851
flat angles P-C4'-P energy: -16.365
tors. eta vs tors. theta energy: -32.189
Dist. restrs. and SS energy: 0.222 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -398.857386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.857386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.045961 (E_RNA)
where:
Base-Base interactions energy: -268.915
where: short stacking energy: -106.743
Base-Backbone interact. energy: -0.222
local terms energy: -129.909791
where:
bonds (distance) C4'-P energy: -24.817
bonds (distance) P-C4' energy: -30.345
flat angles C4'-P-C4' energy: -30.414
flat angles P-C4'-P energy: -12.732
tors. eta vs tors. theta energy: -31.602
Dist. restrs. and SS energy: 0.189 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -398.993799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.993799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.117110 (E_RNA)
where:
Base-Base interactions energy: -268.390
where: short stacking energy: -116.471
Base-Backbone interact. energy: -0.353
local terms energy: -130.373438
where:
bonds (distance) C4'-P energy: -26.899
bonds (distance) P-C4' energy: -26.278
flat angles C4'-P-C4' energy: -26.230
flat angles P-C4'-P energy: -17.162
tors. eta vs tors. theta energy: -33.805
Dist. restrs. and SS energy: 0.123 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -370.200109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.200109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.318825 (E_RNA)
where:
Base-Base interactions energy: -247.375
where: short stacking energy: -100.766
Base-Backbone interact. energy: -0.817
local terms energy: -122.127155
where:
bonds (distance) C4'-P energy: -28.362
bonds (distance) P-C4' energy: -19.203
flat angles C4'-P-C4' energy: -27.228
flat angles P-C4'-P energy: -20.112
tors. eta vs tors. theta energy: -27.222
Dist. restrs. and SS energy: 0.119 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -338.039810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.039810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.275496 (E_RNA)
where:
Base-Base interactions energy: -232.105
where: short stacking energy: -94.923
Base-Backbone interact. energy: -0.491
local terms energy: -105.679464
where:
bonds (distance) C4'-P energy: -18.174
bonds (distance) P-C4' energy: -21.374
flat angles C4'-P-C4' energy: -22.881
flat angles P-C4'-P energy: -15.823
tors. eta vs tors. theta energy: -27.427
Dist. restrs. and SS energy: 0.236 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -343.678021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.678021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.820123 (E_RNA)
where:
Base-Base interactions energy: -232.096
where: short stacking energy: -83.753
Base-Backbone interact. energy: -1.226
local terms energy: -110.498160
where:
bonds (distance) C4'-P energy: -25.723
bonds (distance) P-C4' energy: -27.336
flat angles C4'-P-C4' energy: -23.268
flat angles P-C4'-P energy: -12.346
tors. eta vs tors. theta energy: -21.825
Dist. restrs. and SS energy: 0.142 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -330.421119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.421119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.988518 (E_RNA)
where:
Base-Base interactions energy: -221.190
where: short stacking energy: -79.198
Base-Backbone interact. energy: -0.849
local terms energy: -108.949117
where:
bonds (distance) C4'-P energy: -24.871
bonds (distance) P-C4' energy: -17.998
flat angles C4'-P-C4' energy: -25.153
flat angles P-C4'-P energy: -13.806
tors. eta vs tors. theta energy: -27.121
Dist. restrs. and SS energy: 0.567 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -321.587918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.587918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.679771 (E_RNA)
where:
Base-Base interactions energy: -223.357
where: short stacking energy: -83.088
Base-Backbone interact. energy: -0.343
local terms energy: -97.979865
where:
bonds (distance) C4'-P energy: -26.689
bonds (distance) P-C4' energy: -16.915
flat angles C4'-P-C4' energy: -21.647
flat angles P-C4'-P energy: -13.684
tors. eta vs tors. theta energy: -19.045
Dist. restrs. and SS energy: 0.092 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -328.331445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.331445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.698400 (E_RNA)
where:
Base-Base interactions energy: -217.337
where: short stacking energy: -86.439
Base-Backbone interact. energy: -0.995
local terms energy: -110.366494
where:
bonds (distance) C4'-P energy: -22.370
bonds (distance) P-C4' energy: -23.258
flat angles C4'-P-C4' energy: -20.324
flat angles P-C4'-P energy: -12.438
tors. eta vs tors. theta energy: -31.976
Dist. restrs. and SS energy: 0.367 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -450.725956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.725956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.376249 (E_RNA)
where:
Base-Base interactions energy: -311.851
where: short stacking energy: -124.309
Base-Backbone interact. energy: 0.289
local terms energy: -139.813920
where:
bonds (distance) C4'-P energy: -26.644
bonds (distance) P-C4' energy: -31.644
flat angles C4'-P-C4' energy: -33.592
flat angles P-C4'-P energy: -16.768
tors. eta vs tors. theta energy: -31.167
Dist. restrs. and SS energy: 0.650 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -401.661386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.661386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.149898 (E_RNA)
where:
Base-Base interactions energy: -272.729
where: short stacking energy: -118.532
Base-Backbone interact. energy: -0.117
local terms energy: -129.303775
where:
bonds (distance) C4'-P energy: -26.247
bonds (distance) P-C4' energy: -29.432
flat angles C4'-P-C4' energy: -25.660
flat angles P-C4'-P energy: -17.956
tors. eta vs tors. theta energy: -30.008
Dist. restrs. and SS energy: 0.489 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -385.036786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.036786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.155218 (E_RNA)
where:
Base-Base interactions energy: -256.295
where: short stacking energy: -98.870
Base-Backbone interact. energy: -0.052
local terms energy: -128.808294
where:
bonds (distance) C4'-P energy: -25.054
bonds (distance) P-C4' energy: -27.425
flat angles C4'-P-C4' energy: -31.461
flat angles P-C4'-P energy: -16.490
tors. eta vs tors. theta energy: -28.378
Dist. restrs. and SS energy: 0.118 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -388.762700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.762700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.038417 (E_RNA)
where:
Base-Base interactions energy: -255.132
where: short stacking energy: -106.078
Base-Backbone interact. energy: -0.093
local terms energy: -133.813447
where:
bonds (distance) C4'-P energy: -26.381
bonds (distance) P-C4' energy: -26.914
flat angles C4'-P-C4' energy: -30.863
flat angles P-C4'-P energy: -12.819
tors. eta vs tors. theta energy: -36.837
Dist. restrs. and SS energy: 0.276 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -386.118220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.118220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.263878 (E_RNA)
where:
Base-Base interactions energy: -268.195
where: short stacking energy: -120.681
Base-Backbone interact. energy: -0.082
local terms energy: -117.986858
where:
bonds (distance) C4'-P energy: -14.669
bonds (distance) P-C4' energy: -25.546
flat angles C4'-P-C4' energy: -28.105
flat angles P-C4'-P energy: -16.049
tors. eta vs tors. theta energy: -33.618
Dist. restrs. and SS energy: 0.146 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -357.539134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.539134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.563211 (E_RNA)
where:
Base-Base interactions energy: -252.332
where: short stacking energy: -96.986
Base-Backbone interact. energy: 1.474
local terms energy: -106.705432
where:
bonds (distance) C4'-P energy: -18.922
bonds (distance) P-C4' energy: -25.853
flat angles C4'-P-C4' energy: -25.379
flat angles P-C4'-P energy: -11.598
tors. eta vs tors. theta energy: -24.953
Dist. restrs. and SS energy: 0.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -342.707607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.707607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.985292 (E_RNA)
where:
Base-Base interactions energy: -226.971
where: short stacking energy: -89.099
Base-Backbone interact. energy: -0.360
local terms energy: -115.654049
where:
bonds (distance) C4'-P energy: -30.095
bonds (distance) P-C4' energy: -28.415
flat angles C4'-P-C4' energy: -20.534
flat angles P-C4'-P energy: -17.167
tors. eta vs tors. theta energy: -19.444
Dist. restrs. and SS energy: 0.278 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -336.380773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.380773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.041546 (E_RNA)
where:
Base-Base interactions energy: -227.689
where: short stacking energy: -98.171
Base-Backbone interact. energy: -0.388
local terms energy: -108.964387
where:
bonds (distance) C4'-P energy: -20.566
bonds (distance) P-C4' energy: -25.500
flat angles C4'-P-C4' energy: -23.178
flat angles P-C4'-P energy: -14.817
tors. eta vs tors. theta energy: -24.903
Dist. restrs. and SS energy: 0.661 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -341.316828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.316828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.395833 (E_RNA)
where:
Base-Base interactions energy: -232.979
where: short stacking energy: -98.206
Base-Backbone interact. energy: -0.200
local terms energy: -108.216727
where:
bonds (distance) C4'-P energy: -19.559
bonds (distance) P-C4' energy: -23.044
flat angles C4'-P-C4' energy: -24.033
flat angles P-C4'-P energy: -13.517
tors. eta vs tors. theta energy: -28.064
Dist. restrs. and SS energy: 0.079 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -268.053393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.053393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.344980 (E_RNA)
where:
Base-Base interactions energy: -172.674
where: short stacking energy: -71.656
Base-Backbone interact. energy: -0.218
local terms energy: -99.452633
where:
bonds (distance) C4'-P energy: -22.623
bonds (distance) P-C4' energy: -23.935
flat angles C4'-P-C4' energy: -16.964
flat angles P-C4'-P energy: -17.601
tors. eta vs tors. theta energy: -18.330
Dist. restrs. and SS energy: 4.292 (S_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: 367
Temperature: 0.900000
Total energy: -447.461038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.461038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.890825 (E_RNA)
where:
Base-Base interactions energy: -313.883
where: short stacking energy: -109.691
Base-Backbone interact. energy: -0.530
local terms energy: -133.477561
where:
bonds (distance) C4'-P energy: -25.610
bonds (distance) P-C4' energy: -28.632
flat angles C4'-P-C4' energy: -27.071
flat angles P-C4'-P energy: -20.705
tors. eta vs tors. theta energy: -31.460
Dist. restrs. and SS energy: 0.430 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -401.569727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.569727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.746535 (E_RNA)
where:
Base-Base interactions energy: -280.663
where: short stacking energy: -118.014
Base-Backbone interact. energy: -0.430
local terms energy: -120.653564
where:
bonds (distance) C4'-P energy: -21.070
bonds (distance) P-C4' energy: -24.168
flat angles C4'-P-C4' energy: -30.212
flat angles P-C4'-P energy: -11.646
tors. eta vs tors. theta energy: -33.558
Dist. restrs. and SS energy: 0.177 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -393.074317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.074317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.208492 (E_RNA)
where:
Base-Base interactions energy: -274.119
where: short stacking energy: -119.795
Base-Backbone interact. energy: 0.791
local terms energy: -119.880686
where:
bonds (distance) C4'-P energy: -27.437
bonds (distance) P-C4' energy: -25.461
flat angles C4'-P-C4' energy: -21.201
flat angles P-C4'-P energy: -15.488
tors. eta vs tors. theta energy: -30.293
Dist. restrs. and SS energy: 0.134 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -367.331554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.331554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.574676 (E_RNA)
where:
Base-Base interactions energy: -244.292
where: short stacking energy: -99.701
Base-Backbone interact. energy: -0.129
local terms energy: -123.154161
where:
bonds (distance) C4'-P energy: -22.121
bonds (distance) P-C4' energy: -29.226
flat angles C4'-P-C4' energy: -29.562
flat angles P-C4'-P energy: -15.921
tors. eta vs tors. theta energy: -26.324
Dist. restrs. and SS energy: 0.243 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -386.167304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.167304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.364695 (E_RNA)
where:
Base-Base interactions energy: -265.313
where: short stacking energy: -108.019
Base-Backbone interact. energy: -1.294
local terms energy: -119.757400
where:
bonds (distance) C4'-P energy: -28.052
bonds (distance) P-C4' energy: -23.622
flat angles C4'-P-C4' energy: -22.502
flat angles P-C4'-P energy: -14.610
tors. eta vs tors. theta energy: -30.972
Dist. restrs. and SS energy: 0.197 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -361.854530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.854530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.938500 (E_RNA)
where:
Base-Base interactions energy: -248.824
where: short stacking energy: -98.832
Base-Backbone interact. energy: -0.315
local terms energy: -112.798971
where:
bonds (distance) C4'-P energy: -23.631
bonds (distance) P-C4' energy: -27.069
flat angles C4'-P-C4' energy: -22.094
flat angles P-C4'-P energy: -15.106
tors. eta vs tors. theta energy: -24.899
Dist. restrs. and SS energy: 0.084 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -356.605482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.605482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.688824 (E_RNA)
where:
Base-Base interactions energy: -244.569
where: short stacking energy: -94.904
Base-Backbone interact. energy: -0.336
local terms energy: -111.782928
where:
bonds (distance) C4'-P energy: -22.562
bonds (distance) P-C4' energy: -26.073
flat angles C4'-P-C4' energy: -24.643
flat angles P-C4'-P energy: -14.050
tors. eta vs tors. theta energy: -24.455
Dist. restrs. and SS energy: 0.083 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -355.774238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.774238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.960594 (E_RNA)
where:
Base-Base interactions energy: -242.824
where: short stacking energy: -88.254
Base-Backbone interact. energy: -1.135
local terms energy: -112.002389
where:
bonds (distance) C4'-P energy: -26.610
bonds (distance) P-C4' energy: -21.531
flat angles C4'-P-C4' energy: -26.140
flat angles P-C4'-P energy: -10.077
tors. eta vs tors. theta energy: -27.644
Dist. restrs. and SS energy: 0.186 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -353.788814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.788814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.894138 (E_RNA)
where:
Base-Base interactions energy: -259.998
where: short stacking energy: -95.603
Base-Backbone interact. energy: -0.461
local terms energy: -93.434799
where:
bonds (distance) C4'-P energy: -20.804
bonds (distance) P-C4' energy: -22.401
flat angles C4'-P-C4' energy: -21.798
flat angles P-C4'-P energy: -4.059
tors. eta vs tors. theta energy: -24.372
Dist. restrs. and SS energy: 0.105 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -303.172211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.172211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.308100 (E_RNA)
where:
Base-Base interactions energy: -213.899
where: short stacking energy: -81.345
Base-Backbone interact. energy: 0.471
local terms energy: -89.879546
where:
bonds (distance) C4'-P energy: -16.120
bonds (distance) P-C4' energy: -18.286
flat angles C4'-P-C4' energy: -24.296
flat angles P-C4'-P energy: -11.104
tors. eta vs tors. theta energy: -20.073
Dist. restrs. and SS energy: 0.136 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -434.451713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.451713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.709164 (E_RNA)
where:
Base-Base interactions energy: -302.077
where: short stacking energy: -107.945
Base-Backbone interact. energy: -0.447
local terms energy: -132.185631
where:
bonds (distance) C4'-P energy: -25.379
bonds (distance) P-C4' energy: -29.136
flat angles C4'-P-C4' energy: -28.341
flat angles P-C4'-P energy: -17.076
tors. eta vs tors. theta energy: -32.255
Dist. restrs. and SS energy: 0.257 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -402.262675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.262675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.408358 (E_RNA)
where:
Base-Base interactions energy: -278.030
where: short stacking energy: -117.151
Base-Backbone interact. energy: -0.894
local terms energy: -123.484601
where:
bonds (distance) C4'-P energy: -20.517
bonds (distance) P-C4' energy: -26.331
flat angles C4'-P-C4' energy: -31.085
flat angles P-C4'-P energy: -10.690
tors. eta vs tors. theta energy: -34.861
Dist. restrs. and SS energy: 0.146 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -382.037216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.037216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.332185 (E_RNA)
where:
Base-Base interactions energy: -241.125
where: short stacking energy: -100.231
Base-Backbone interact. energy: -1.426
local terms energy: -139.780323
where:
bonds (distance) C4'-P energy: -28.590
bonds (distance) P-C4' energy: -30.204
flat angles C4'-P-C4' energy: -23.922
flat angles P-C4'-P energy: -22.605
tors. eta vs tors. theta energy: -34.459
Dist. restrs. and SS energy: 0.295 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -383.975844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.975844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.164514 (E_RNA)
where:
Base-Base interactions energy: -258.008
where: short stacking energy: -98.515
Base-Backbone interact. energy: -0.223
local terms energy: -125.933267
where:
bonds (distance) C4'-P energy: -28.901
bonds (distance) P-C4' energy: -23.932
flat angles C4'-P-C4' energy: -27.182
flat angles P-C4'-P energy: -17.873
tors. eta vs tors. theta energy: -28.046
Dist. restrs. and SS energy: 0.189 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -398.912886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.912886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.220707 (E_RNA)
where:
Base-Base interactions energy: -281.159
where: short stacking energy: -106.601
Base-Backbone interact. energy: -1.023
local terms energy: -117.038904
where:
bonds (distance) C4'-P energy: -23.124
bonds (distance) P-C4' energy: -22.912
flat angles C4'-P-C4' energy: -28.862
flat angles P-C4'-P energy: -10.874
tors. eta vs tors. theta energy: -31.267
Dist. restrs. and SS energy: 0.308 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -352.749399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.749399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.133521 (E_RNA)
where:
Base-Base interactions energy: -229.188
where: short stacking energy: -89.905
Base-Backbone interact. energy: -0.471
local terms energy: -123.474275
where:
bonds (distance) C4'-P energy: -21.071
bonds (distance) P-C4' energy: -29.129
flat angles C4'-P-C4' energy: -26.345
flat angles P-C4'-P energy: -22.321
tors. eta vs tors. theta energy: -24.608
Dist. restrs. and SS energy: 0.384 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -362.629445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.629445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.739380 (E_RNA)
where:
Base-Base interactions energy: -243.501
where: short stacking energy: -87.968
Base-Backbone interact. energy: -0.361
local terms energy: -118.877070
where:
bonds (distance) C4'-P energy: -24.071
bonds (distance) P-C4' energy: -24.708
flat angles C4'-P-C4' energy: -25.694
flat angles P-C4'-P energy: -21.950
tors. eta vs tors. theta energy: -22.454
Dist. restrs. and SS energy: 0.110 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -335.875719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.875719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.412759 (E_RNA)
where:
Base-Base interactions energy: -222.698
where: short stacking energy: -82.830
Base-Backbone interact. energy: -0.015
local terms energy: -113.699807
where:
bonds (distance) C4'-P energy: -29.293
bonds (distance) P-C4' energy: -22.035
flat angles C4'-P-C4' energy: -25.774
flat angles P-C4'-P energy: -19.222
tors. eta vs tors. theta energy: -17.375
Dist. restrs. and SS energy: 0.537 (S_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: 368
Temperature: 1.300000
Total energy: -345.125787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.125787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.494699 (E_RNA)
where:
Base-Base interactions energy: -239.439
where: short stacking energy: -95.931
Base-Backbone interact. energy: -0.317
local terms energy: -105.738321
where:
bonds (distance) C4'-P energy: -15.692
bonds (distance) P-C4' energy: -26.965
flat angles C4'-P-C4' energy: -27.718
flat angles P-C4'-P energy: -12.294
tors. eta vs tors. theta energy: -23.069
Dist. restrs. and SS energy: 0.369 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -302.396513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.396513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.565982 (E_RNA)
where:
Base-Base interactions energy: -202.070
where: short stacking energy: -77.854
Base-Backbone interact. energy: -0.212
local terms energy: -100.284677
where:
bonds (distance) C4'-P energy: -21.897
bonds (distance) P-C4' energy: -18.153
flat angles C4'-P-C4' energy: -20.866
flat angles P-C4'-P energy: -21.909
tors. eta vs tors. theta energy: -17.460
Dist. restrs. and SS energy: 0.169 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -451.907246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.907246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.955339 (E_RNA)
where:
Base-Base interactions energy: -318.525
where: short stacking energy: -121.095
Base-Backbone interact. energy: 0.251
local terms energy: -133.681351
where:
bonds (distance) C4'-P energy: -28.039
bonds (distance) P-C4' energy: -30.792
flat angles C4'-P-C4' energy: -23.347
flat angles P-C4'-P energy: -18.210
tors. eta vs tors. theta energy: -33.294
Dist. restrs. and SS energy: 0.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -431.187288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.187288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.351976 (E_RNA)
where:
Base-Base interactions energy: -291.745
where: short stacking energy: -114.004
Base-Backbone interact. energy: 1.023
local terms energy: -140.629612
where:
bonds (distance) C4'-P energy: -28.390
bonds (distance) P-C4' energy: -26.316
flat angles C4'-P-C4' energy: -30.172
flat angles P-C4'-P energy: -22.060
tors. eta vs tors. theta energy: -33.693
Dist. restrs. and SS energy: 0.165 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -393.861575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.861575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.077562 (E_RNA)
where:
Base-Base interactions energy: -264.669
where: short stacking energy: -109.094
Base-Backbone interact. energy: 0.140
local terms energy: -129.548350
where:
bonds (distance) C4'-P energy: -30.133
bonds (distance) P-C4' energy: -30.356
flat angles C4'-P-C4' energy: -30.849
flat angles P-C4'-P energy: -12.421
tors. eta vs tors. theta energy: -25.789
Dist. restrs. and SS energy: 0.216 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -391.158905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.158905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.894993 (E_RNA)
where:
Base-Base interactions energy: -257.517
where: short stacking energy: -105.459
Base-Backbone interact. energy: -0.958
local terms energy: -133.419986
where:
bonds (distance) C4'-P energy: -26.644
bonds (distance) P-C4' energy: -30.656
flat angles C4'-P-C4' energy: -27.001
flat angles P-C4'-P energy: -18.054
tors. eta vs tors. theta energy: -31.066
Dist. restrs. and SS energy: 0.736 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -382.345916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.345916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.545762 (E_RNA)
where:
Base-Base interactions energy: -254.079
where: short stacking energy: -101.145
Base-Backbone interact. energy: -0.192
local terms energy: -128.275221
where:
bonds (distance) C4'-P energy: -28.435
bonds (distance) P-C4' energy: -22.978
flat angles C4'-P-C4' energy: -28.904
flat angles P-C4'-P energy: -16.165
tors. eta vs tors. theta energy: -31.794
Dist. restrs. and SS energy: 0.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -364.966886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.966886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.060685 (E_RNA)
where:
Base-Base interactions energy: -251.848
where: short stacking energy: -99.174
Base-Backbone interact. energy: 0.194
local terms energy: -113.407050
where:
bonds (distance) C4'-P energy: -26.883
bonds (distance) P-C4' energy: -26.061
flat angles C4'-P-C4' energy: -24.370
flat angles P-C4'-P energy: -11.185
tors. eta vs tors. theta energy: -24.906
Dist. restrs. and SS energy: 0.094 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -349.437531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.437531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.727524 (E_RNA)
where:
Base-Base interactions energy: -230.006
where: short stacking energy: -94.902
Base-Backbone interact. energy: -0.087
local terms energy: -119.633603
where:
bonds (distance) C4'-P energy: -22.014
bonds (distance) P-C4' energy: -25.137
flat angles C4'-P-C4' energy: -28.259
flat angles P-C4'-P energy: -15.477
tors. eta vs tors. theta energy: -28.746
Dist. restrs. and SS energy: 0.290 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -324.810479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.810479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.420777 (E_RNA)
where:
Base-Base interactions energy: -206.673
where: short stacking energy: -76.628
Base-Backbone interact. energy: -0.532
local terms energy: -118.216055
where:
bonds (distance) C4'-P energy: -26.592
bonds (distance) P-C4' energy: -23.225
flat angles C4'-P-C4' energy: -22.413
flat angles P-C4'-P energy: -20.825
tors. eta vs tors. theta energy: -25.160
Dist. restrs. and SS energy: 0.610 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -335.725896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.725896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.991889 (E_RNA)
where:
Base-Base interactions energy: -237.919
where: short stacking energy: -89.492
Base-Backbone interact. energy: 2.347
local terms energy: -100.420125
where:
bonds (distance) C4'-P energy: -16.750
bonds (distance) P-C4' energy: -21.666
flat angles C4'-P-C4' energy: -20.410
flat angles P-C4'-P energy: -20.302
tors. eta vs tors. theta energy: -21.292
Dist. restrs. and SS energy: 0.266 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -304.881985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.881985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.338849 (E_RNA)
where:
Base-Base interactions energy: -200.942
where: short stacking energy: -73.268
Base-Backbone interact. energy: -1.124
local terms energy: -103.272609
where:
bonds (distance) C4'-P energy: -27.206
bonds (distance) P-C4' energy: -24.194
flat angles C4'-P-C4' energy: -21.452
flat angles P-C4'-P energy: -11.845
tors. eta vs tors. theta energy: -18.576
Dist. restrs. and SS energy: 0.457 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -431.855539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.855539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.224894 (E_RNA)
where:
Base-Base interactions energy: -300.522
where: short stacking energy: -113.864
Base-Backbone interact. energy: -0.400
local terms energy: -131.303250
where:
bonds (distance) C4'-P energy: -24.570
bonds (distance) P-C4' energy: -29.435
flat angles C4'-P-C4' energy: -27.348
flat angles P-C4'-P energy: -19.119
tors. eta vs tors. theta energy: -30.830
Dist. restrs. and SS energy: 0.369 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -440.030713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.030713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.749948 (E_RNA)
where:
Base-Base interactions energy: -306.926
where: short stacking energy: -119.881
Base-Backbone interact. energy: -0.906
local terms energy: -132.917060
where:
bonds (distance) C4'-P energy: -24.157
bonds (distance) P-C4' energy: -29.118
flat angles C4'-P-C4' energy: -31.542
flat angles P-C4'-P energy: -12.943
tors. eta vs tors. theta energy: -35.157
Dist. restrs. and SS energy: 0.719 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -399.998032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.998032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.420127 (E_RNA)
where:
Base-Base interactions energy: -279.615
where: short stacking energy: -114.403
Base-Backbone interact. energy: 1.591
local terms energy: -122.396326
where:
bonds (distance) C4'-P energy: -23.379
bonds (distance) P-C4' energy: -25.236
flat angles C4'-P-C4' energy: -27.748
flat angles P-C4'-P energy: -14.863
tors. eta vs tors. theta energy: -31.170
Dist. restrs. and SS energy: 0.422 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -377.867712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.867712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.040056 (E_RNA)
where:
Base-Base interactions energy: -257.277
where: short stacking energy: -98.599
Base-Backbone interact. energy: -0.398
local terms energy: -120.365314
where:
bonds (distance) C4'-P energy: -27.589
bonds (distance) P-C4' energy: -28.213
flat angles C4'-P-C4' energy: -26.044
flat angles P-C4'-P energy: -12.985
tors. eta vs tors. theta energy: -25.535
Dist. restrs. and SS energy: 0.172 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -361.914805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.914805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.640871 (E_RNA)
where:
Base-Base interactions energy: -241.155
where: short stacking energy: -99.988
Base-Backbone interact. energy: -0.449
local terms energy: -121.037360
where:
bonds (distance) C4'-P energy: -20.421
bonds (distance) P-C4' energy: -22.530
flat angles C4'-P-C4' energy: -29.264
flat angles P-C4'-P energy: -18.383
tors. eta vs tors. theta energy: -30.440
Dist. restrs. and SS energy: 0.726 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -362.694844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.694844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.846863 (E_RNA)
where:
Base-Base interactions energy: -245.096
where: short stacking energy: -95.217
Base-Backbone interact. energy: -0.524
local terms energy: -117.227514
where:
bonds (distance) C4'-P energy: -25.640
bonds (distance) P-C4' energy: -20.536
flat angles C4'-P-C4' energy: -21.159
flat angles P-C4'-P energy: -20.205
tors. eta vs tors. theta energy: -29.688
Dist. restrs. and SS energy: 0.152 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -343.857640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.857640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.949419 (E_RNA)
where:
Base-Base interactions energy: -232.673
where: short stacking energy: -79.532
Base-Backbone interact. energy: -0.468
local terms energy: -110.808514
where:
bonds (distance) C4'-P energy: -23.473
bonds (distance) P-C4' energy: -24.040
flat angles C4'-P-C4' energy: -24.386
flat angles P-C4'-P energy: -15.300
tors. eta vs tors. theta energy: -23.610
Dist. restrs. and SS energy: 0.092 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -337.767634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.767634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.018422 (E_RNA)
where:
Base-Base interactions energy: -224.242
where: short stacking energy: -99.450
Base-Backbone interact. energy: -0.061
local terms energy: -113.715858
where:
bonds (distance) C4'-P energy: -27.885
bonds (distance) P-C4' energy: -24.675
flat angles C4'-P-C4' energy: -20.156
flat angles P-C4'-P energy: -15.611
tors. eta vs tors. theta energy: -25.389
Dist. restrs. and SS energy: 0.251 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -325.179323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.179323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.493560 (E_RNA)
where:
Base-Base interactions energy: -216.697
where: short stacking energy: -89.970
Base-Backbone interact. energy: 0.535
local terms energy: -109.332261
where:
bonds (distance) C4'-P energy: -24.040
bonds (distance) P-C4' energy: -22.828
flat angles C4'-P-C4' energy: -27.391
flat angles P-C4'-P energy: -14.882
tors. eta vs tors. theta energy: -20.191
Dist. restrs. and SS energy: 0.314 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -331.936548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.936548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.434893 (E_RNA)
where:
Base-Base interactions energy: -238.143
where: short stacking energy: -86.066
Base-Backbone interact. energy: -0.386
local terms energy: -93.905674
where:
bonds (distance) C4'-P energy: -12.987
bonds (distance) P-C4' energy: -18.968
flat angles C4'-P-C4' energy: -24.636
flat angles P-C4'-P energy: -10.692
tors. eta vs tors. theta energy: -26.622
Dist. restrs. and SS energy: 0.498 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -430.255573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.255573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.470366 (E_RNA)
where:
Base-Base interactions energy: -290.599
where: short stacking energy: -115.982
Base-Backbone interact. energy: -1.476
local terms energy: -138.396168
where:
bonds (distance) C4'-P energy: -25.959
bonds (distance) P-C4' energy: -28.263
flat angles C4'-P-C4' energy: -28.293
flat angles P-C4'-P energy: -23.840
tors. eta vs tors. theta energy: -32.041
Dist. restrs. and SS energy: 0.215 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -434.392514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.392514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.800427 (E_RNA)
where:
Base-Base interactions energy: -295.000
where: short stacking energy: -110.661
Base-Backbone interact. energy: -0.417
local terms energy: -139.383323
where:
bonds (distance) C4'-P energy: -26.255
bonds (distance) P-C4' energy: -26.976
flat angles C4'-P-C4' energy: -31.221
flat angles P-C4'-P energy: -21.241
tors. eta vs tors. theta energy: -33.690
Dist. restrs. and SS energy: 0.408 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -392.841665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.841665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.270548 (E_RNA)
where:
Base-Base interactions energy: -257.429
where: short stacking energy: -106.248
Base-Backbone interact. energy: -2.839
local terms energy: -133.003420
where:
bonds (distance) C4'-P energy: -30.022
bonds (distance) P-C4' energy: -25.725
flat angles C4'-P-C4' energy: -29.457
flat angles P-C4'-P energy: -14.060
tors. eta vs tors. theta energy: -33.741
Dist. restrs. and SS energy: 0.429 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -382.535702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.535702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.713629 (E_RNA)
where:
Base-Base interactions energy: -269.308
where: short stacking energy: -119.279
Base-Backbone interact. energy: -0.008
local terms energy: -113.396904
where:
bonds (distance) C4'-P energy: -25.274
bonds (distance) P-C4' energy: -16.576
flat angles C4'-P-C4' energy: -26.879
flat angles P-C4'-P energy: -15.739
tors. eta vs tors. theta energy: -28.929
Dist. restrs. and SS energy: 0.178 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -378.852764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.852764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.881231 (E_RNA)
where:
Base-Base interactions energy: -258.072
where: short stacking energy: -109.020
Base-Backbone interact. energy: -0.208
local terms energy: -120.600512
where:
bonds (distance) C4'-P energy: -24.022
bonds (distance) P-C4' energy: -23.685
flat angles C4'-P-C4' energy: -27.672
flat angles P-C4'-P energy: -15.920
tors. eta vs tors. theta energy: -29.301
Dist. restrs. and SS energy: 0.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -367.912111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.912111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.319018 (E_RNA)
where:
Base-Base interactions energy: -256.068
where: short stacking energy: -104.817
Base-Backbone interact. energy: 1.204
local terms energy: -113.454969
where:
bonds (distance) C4'-P energy: -27.600
bonds (distance) P-C4' energy: -20.759
flat angles C4'-P-C4' energy: -23.823
flat angles P-C4'-P energy: -13.328
tors. eta vs tors. theta energy: -27.945
Dist. restrs. and SS energy: 0.407 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -346.027182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.027182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.162165 (E_RNA)
where:
Base-Base interactions energy: -231.140
where: short stacking energy: -95.121
Base-Backbone interact. energy: -1.531
local terms energy: -113.490477
where:
bonds (distance) C4'-P energy: -25.269
bonds (distance) P-C4' energy: -17.867
flat angles C4'-P-C4' energy: -24.318
flat angles P-C4'-P energy: -18.904
tors. eta vs tors. theta energy: -27.132
Dist. restrs. and SS energy: 0.135 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -334.053698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.053698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.343033 (E_RNA)
where:
Base-Base interactions energy: -228.207
where: short stacking energy: -93.152
Base-Backbone interact. energy: -1.218
local terms energy: -104.918094
where:
bonds (distance) C4'-P energy: -17.448
bonds (distance) P-C4' energy: -22.237
flat angles C4'-P-C4' energy: -26.542
flat angles P-C4'-P energy: -14.696
tors. eta vs tors. theta energy: -23.996
Dist. restrs. and SS energy: 0.289 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -316.631778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.631778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.953687 (E_RNA)
where:
Base-Base interactions energy: -204.448
where: short stacking energy: -79.570
Base-Backbone interact. energy: -0.239
local terms energy: -112.266949
where:
bonds (distance) C4'-P energy: -25.736
bonds (distance) P-C4' energy: -22.593
flat angles C4'-P-C4' energy: -29.522
flat angles P-C4'-P energy: -13.633
tors. eta vs tors. theta energy: -20.782
Dist. restrs. and SS energy: 0.322 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -334.144569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.144569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.452167 (E_RNA)
where:
Base-Base interactions energy: -229.491
where: short stacking energy: -89.526
Base-Backbone interact. energy: -0.964
local terms energy: -103.996924
where:
bonds (distance) C4'-P energy: -17.554
bonds (distance) P-C4' energy: -22.081
flat angles C4'-P-C4' energy: -18.743
flat angles P-C4'-P energy: -15.556
tors. eta vs tors. theta energy: -30.063
Dist. restrs. and SS energy: 0.308 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -429.351622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.351622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.380481 (E_RNA)
where:
Base-Base interactions energy: -298.468
where: short stacking energy: -106.517
Base-Backbone interact. energy: -0.592
local terms energy: -130.320248
where:
bonds (distance) C4'-P energy: -24.577
bonds (distance) P-C4' energy: -28.248
flat angles C4'-P-C4' energy: -29.248
flat angles P-C4'-P energy: -13.453
tors. eta vs tors. theta energy: -34.794
Dist. restrs. and SS energy: 0.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -428.787234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.787234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.952130 (E_RNA)
where:
Base-Base interactions energy: -300.507
where: short stacking energy: -102.137
Base-Backbone interact. energy: -0.436
local terms energy: -128.008579
where:
bonds (distance) C4'-P energy: -26.516
bonds (distance) P-C4' energy: -32.536
flat angles C4'-P-C4' energy: -23.520
flat angles P-C4'-P energy: -14.355
tors. eta vs tors. theta energy: -31.081
Dist. restrs. and SS energy: 0.165 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -398.581042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.581042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.688733 (E_RNA)
where:
Base-Base interactions energy: -264.485
where: short stacking energy: -109.906
Base-Backbone interact. energy: -1.621
local terms energy: -132.582059
where:
bonds (distance) C4'-P energy: -26.345
bonds (distance) P-C4' energy: -25.328
flat angles C4'-P-C4' energy: -24.610
flat angles P-C4'-P energy: -23.593
tors. eta vs tors. theta energy: -32.706
Dist. restrs. and SS energy: 0.108 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -386.280161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.280161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.336198 (E_RNA)
where:
Base-Base interactions energy: -260.982
where: short stacking energy: -107.152
Base-Backbone interact. energy: 0.802
local terms energy: -126.155606
where:
bonds (distance) C4'-P energy: -20.035
bonds (distance) P-C4' energy: -29.015
flat angles C4'-P-C4' energy: -30.090
flat angles P-C4'-P energy: -15.338
tors. eta vs tors. theta energy: -31.678
Dist. restrs. and SS energy: 0.056 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -373.806639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.806639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.904484 (E_RNA)
where:
Base-Base interactions energy: -247.275
where: short stacking energy: -92.988
Base-Backbone interact. energy: -0.516
local terms energy: -126.113344
where:
bonds (distance) C4'-P energy: -26.284
bonds (distance) P-C4' energy: -23.854
flat angles C4'-P-C4' energy: -29.445
flat angles P-C4'-P energy: -19.622
tors. eta vs tors. theta energy: -26.908
Dist. restrs. and SS energy: 0.098 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -343.411693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.411693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.241640 (E_RNA)
where:
Base-Base interactions energy: -235.680
where: short stacking energy: -89.421
Base-Backbone interact. energy: -0.154
local terms energy: -108.408260
where:
bonds (distance) C4'-P energy: -20.097
bonds (distance) P-C4' energy: -17.474
flat angles C4'-P-C4' energy: -31.782
flat angles P-C4'-P energy: -14.197
tors. eta vs tors. theta energy: -24.858
Dist. restrs. and SS energy: 0.830 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -349.900115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.900115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.192480 (E_RNA)
where:
Base-Base interactions energy: -250.058
where: short stacking energy: -96.353
Base-Backbone interact. energy: 4.443
local terms energy: -104.577579
where:
bonds (distance) C4'-P energy: -20.566
bonds (distance) P-C4' energy: -18.443
flat angles C4'-P-C4' energy: -21.597
flat angles P-C4'-P energy: -16.384
tors. eta vs tors. theta energy: -27.588
Dist. restrs. and SS energy: 0.292 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -337.980742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.980742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.122264 (E_RNA)
where:
Base-Base interactions energy: -240.114
where: short stacking energy: -97.090
Base-Backbone interact. energy: 0.791
local terms energy: -98.799325
where:
bonds (distance) C4'-P energy: -16.703
bonds (distance) P-C4' energy: -28.036
flat angles C4'-P-C4' energy: -13.754
flat angles P-C4'-P energy: -13.032
tors. eta vs tors. theta energy: -27.274
Dist. restrs. and SS energy: 0.142 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -343.605853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.605853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.677123 (E_RNA)
where:
Base-Base interactions energy: -237.033
where: short stacking energy: -92.543
Base-Backbone interact. energy: -0.392
local terms energy: -106.252771
where:
bonds (distance) C4'-P energy: -22.651
bonds (distance) P-C4' energy: -24.357
flat angles C4'-P-C4' energy: -21.142
flat angles P-C4'-P energy: -10.926
tors. eta vs tors. theta energy: -27.177
Dist. restrs. and SS energy: 0.071 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -301.395230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.395230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.684032 (E_RNA)
where:
Base-Base interactions energy: -208.840
where: short stacking energy: -83.850
Base-Backbone interact. energy: 2.156
local terms energy: -96.000289
where:
bonds (distance) C4'-P energy: -25.115
bonds (distance) P-C4' energy: -16.570
flat angles C4'-P-C4' energy: -23.243
flat angles P-C4'-P energy: -16.423
tors. eta vs tors. theta energy: -14.649
Dist. restrs. and SS energy: 1.289 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -416.912468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.912468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.327407 (E_RNA)
where:
Base-Base interactions energy: -287.120
where: short stacking energy: -104.534
Base-Backbone interact. energy: -0.387
local terms energy: -129.820253
where:
bonds (distance) C4'-P energy: -25.036
bonds (distance) P-C4' energy: -28.870
flat angles C4'-P-C4' energy: -26.635
flat angles P-C4'-P energy: -20.655
tors. eta vs tors. theta energy: -28.624
Dist. restrs. and SS energy: 0.415 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -424.556756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.556756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.475566 (E_RNA)
where:
Base-Base interactions energy: -277.817
where: short stacking energy: -128.527
Base-Backbone interact. energy: 0.090
local terms energy: -147.748445
where:
bonds (distance) C4'-P energy: -31.405
bonds (distance) P-C4' energy: -28.480
flat angles C4'-P-C4' energy: -31.493
flat angles P-C4'-P energy: -20.613
tors. eta vs tors. theta energy: -35.757
Dist. restrs. and SS energy: 0.919 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -419.054535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.054535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.748104 (E_RNA)
where:
Base-Base interactions energy: -296.081
where: short stacking energy: -105.164
Base-Backbone interact. energy: -0.368
local terms energy: -123.299283
where:
bonds (distance) C4'-P energy: -27.988
bonds (distance) P-C4' energy: -26.373
flat angles C4'-P-C4' energy: -23.298
flat angles P-C4'-P energy: -13.049
tors. eta vs tors. theta energy: -32.591
Dist. restrs. and SS energy: 0.694 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -388.883885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.883885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.946371 (E_RNA)
where:
Base-Base interactions energy: -258.720
where: short stacking energy: -114.190
Base-Backbone interact. energy: -0.561
local terms energy: -129.665419
where:
bonds (distance) C4'-P energy: -25.230
bonds (distance) P-C4' energy: -31.004
flat angles C4'-P-C4' energy: -26.133
flat angles P-C4'-P energy: -18.692
tors. eta vs tors. theta energy: -28.607
Dist. restrs. and SS energy: 0.062 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -380.715418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.715418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.500531 (E_RNA)
where:
Base-Base interactions energy: -252.143
where: short stacking energy: -101.951
Base-Backbone interact. energy: -0.800
local terms energy: -128.557416
where:
bonds (distance) C4'-P energy: -21.198
bonds (distance) P-C4' energy: -29.968
flat angles C4'-P-C4' energy: -31.407
flat angles P-C4'-P energy: -14.697
tors. eta vs tors. theta energy: -31.288
Dist. restrs. and SS energy: 0.785 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -362.450285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.450285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.604106 (E_RNA)
where:
Base-Base interactions energy: -257.361
where: short stacking energy: -105.683
Base-Backbone interact. energy: 2.057
local terms energy: -107.299335
where:
bonds (distance) C4'-P energy: -24.553
bonds (distance) P-C4' energy: -19.021
flat angles C4'-P-C4' energy: -25.431
flat angles P-C4'-P energy: -10.279
tors. eta vs tors. theta energy: -28.016
Dist. restrs. and SS energy: 0.154 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -348.164270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.164270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.621370 (E_RNA)
where:
Base-Base interactions energy: -233.330
where: short stacking energy: -92.754
Base-Backbone interact. energy: -1.136
local terms energy: -114.155420
where:
bonds (distance) C4'-P energy: -22.250
bonds (distance) P-C4' energy: -29.665
flat angles C4'-P-C4' energy: -27.420
flat angles P-C4'-P energy: -10.742
tors. eta vs tors. theta energy: -24.078
Dist. restrs. and SS energy: 0.457 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -344.128581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.128581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.351984 (E_RNA)
where:
Base-Base interactions energy: -232.158
where: short stacking energy: -99.471
Base-Backbone interact. energy: -0.492
local terms energy: -111.701979
where:
bonds (distance) C4'-P energy: -16.793
bonds (distance) P-C4' energy: -26.675
flat angles C4'-P-C4' energy: -27.913
flat angles P-C4'-P energy: -15.041
tors. eta vs tors. theta energy: -25.281
Dist. restrs. and SS energy: 0.223 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -319.052607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.052607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.605121 (E_RNA)
where:
Base-Base interactions energy: -222.314
where: short stacking energy: -85.779
Base-Backbone interact. energy: -1.480
local terms energy: -95.811091
where:
bonds (distance) C4'-P energy: -15.874
bonds (distance) P-C4' energy: -22.865
flat angles C4'-P-C4' energy: -21.299
flat angles P-C4'-P energy: -13.270
tors. eta vs tors. theta energy: -22.503
Dist. restrs. and SS energy: 0.553 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -316.294749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.294749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.658640 (E_RNA)
where:
Base-Base interactions energy: -204.957
where: short stacking energy: -79.898
Base-Backbone interact. energy: -0.499
local terms energy: -111.202354
where:
bonds (distance) C4'-P energy: -28.370
bonds (distance) P-C4' energy: -27.301
flat angles C4'-P-C4' energy: -25.605
flat angles P-C4'-P energy: -8.456
tors. eta vs tors. theta energy: -21.471
Dist. restrs. and SS energy: 0.364 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -407.929337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.929337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.059494 (E_RNA)
where:
Base-Base interactions energy: -286.168
where: short stacking energy: -105.079
Base-Backbone interact. energy: -0.206
local terms energy: -121.685041
where:
bonds (distance) C4'-P energy: -23.704
bonds (distance) P-C4' energy: -26.423
flat angles C4'-P-C4' energy: -25.258
flat angles P-C4'-P energy: -17.410
tors. eta vs tors. theta energy: -28.890
Dist. restrs. and SS energy: 0.130 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -416.150448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.150448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.162489 (E_RNA)
where:
Base-Base interactions energy: -288.586
where: short stacking energy: -115.570
Base-Backbone interact. energy: 0.655
local terms energy: -128.231349
where:
bonds (distance) C4'-P energy: -22.667
bonds (distance) P-C4' energy: -27.993
flat angles C4'-P-C4' energy: -31.768
flat angles P-C4'-P energy: -11.673
tors. eta vs tors. theta energy: -34.130
Dist. restrs. and SS energy: 0.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -420.661294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.661294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.321747 (E_RNA)
where:
Base-Base interactions energy: -287.445
where: short stacking energy: -115.861
Base-Backbone interact. energy: -0.723
local terms energy: -133.153915
where:
bonds (distance) C4'-P energy: -27.666
bonds (distance) P-C4' energy: -25.699
flat angles C4'-P-C4' energy: -29.236
flat angles P-C4'-P energy: -21.632
tors. eta vs tors. theta energy: -28.922
Dist. restrs. and SS energy: 0.660 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -375.449513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.449513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.886220 (E_RNA)
where:
Base-Base interactions energy: -252.452
where: short stacking energy: -105.551
Base-Backbone interact. energy: -0.507
local terms energy: -122.927237
where:
bonds (distance) C4'-P energy: -26.700
bonds (distance) P-C4' energy: -24.684
flat angles C4'-P-C4' energy: -30.065
flat angles P-C4'-P energy: -11.834
tors. eta vs tors. theta energy: -29.645
Dist. restrs. and SS energy: 0.437 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -382.172130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.172130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.375967 (E_RNA)
where:
Base-Base interactions energy: -261.608
where: short stacking energy: -112.711
Base-Backbone interact. energy: -0.443
local terms energy: -120.324749
where:
bonds (distance) C4'-P energy: -24.582
bonds (distance) P-C4' energy: -25.767
flat angles C4'-P-C4' energy: -25.536
flat angles P-C4'-P energy: -14.716
tors. eta vs tors. theta energy: -29.724
Dist. restrs. and SS energy: 0.204 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -356.794086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.794086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.255211 (E_RNA)
where:
Base-Base interactions energy: -239.138
where: short stacking energy: -88.046
Base-Backbone interact. energy: -0.913
local terms energy: -120.204403
where:
bonds (distance) C4'-P energy: -27.037
bonds (distance) P-C4' energy: -26.509
flat angles C4'-P-C4' energy: -27.186
flat angles P-C4'-P energy: -13.003
tors. eta vs tors. theta energy: -26.469
Dist. restrs. and SS energy: 3.461 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -361.244908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.244908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.413807 (E_RNA)
where:
Base-Base interactions energy: -234.412
where: short stacking energy: -103.861
Base-Backbone interact. energy: -0.219
local terms energy: -126.782692
where:
bonds (distance) C4'-P energy: -28.623
bonds (distance) P-C4' energy: -26.585
flat angles C4'-P-C4' energy: -27.228
flat angles P-C4'-P energy: -16.910
tors. eta vs tors. theta energy: -27.436
Dist. restrs. and SS energy: 0.169 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -342.873310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.873310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.429125 (E_RNA)
where:
Base-Base interactions energy: -232.583
where: short stacking energy: -85.801
Base-Backbone interact. energy: -0.261
local terms energy: -110.585912
where:
bonds (distance) C4'-P energy: -19.858
bonds (distance) P-C4' energy: -28.139
flat angles C4'-P-C4' energy: -24.924
flat angles P-C4'-P energy: -13.539
tors. eta vs tors. theta energy: -24.125
Dist. restrs. and SS energy: 0.556 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -303.352899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.352899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.691894 (E_RNA)
where:
Base-Base interactions energy: -205.006
where: short stacking energy: -83.012
Base-Backbone interact. energy: -0.058
local terms energy: -98.628307
where:
bonds (distance) C4'-P energy: -16.894
bonds (distance) P-C4' energy: -19.195
flat angles C4'-P-C4' energy: -21.266
flat angles P-C4'-P energy: -13.422
tors. eta vs tors. theta energy: -27.851
Dist. restrs. and SS energy: 0.339 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -312.684100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.684100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.071957 (E_RNA)
where:
Base-Base interactions energy: -209.350
where: short stacking energy: -90.017
Base-Backbone interact. energy: -0.365
local terms energy: -103.356688
where:
bonds (distance) C4'-P energy: -21.911
bonds (distance) P-C4' energy: -17.125
flat angles C4'-P-C4' energy: -26.419
flat angles P-C4'-P energy: -19.576
tors. eta vs tors. theta energy: -18.326
Dist. restrs. and SS energy: 0.388 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -421.525030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.525030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.013352 (E_RNA)
where:
Base-Base interactions energy: -296.980
where: short stacking energy: -118.400
Base-Backbone interact. energy: 3.245
local terms energy: -128.279109
where:
bonds (distance) C4'-P energy: -24.788
bonds (distance) P-C4' energy: -29.063
flat angles C4'-P-C4' energy: -28.761
flat angles P-C4'-P energy: -14.309
tors. eta vs tors. theta energy: -31.358
Dist. restrs. and SS energy: 0.488 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -431.152667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.152667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.837059 (E_RNA)
where:
Base-Base interactions energy: -303.059
where: short stacking energy: -109.422
Base-Backbone interact. energy: -0.494
local terms energy: -128.283567
where:
bonds (distance) C4'-P energy: -28.795
bonds (distance) P-C4' energy: -28.174
flat angles C4'-P-C4' energy: -29.555
flat angles P-C4'-P energy: -10.880
tors. eta vs tors. theta energy: -30.879
Dist. restrs. and SS energy: 0.684 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -412.803550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.803550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.628286 (E_RNA)
where:
Base-Base interactions energy: -276.924
where: short stacking energy: -118.490
Base-Backbone interact. energy: -0.371
local terms energy: -136.332939
where:
bonds (distance) C4'-P energy: -24.661
bonds (distance) P-C4' energy: -26.390
flat angles C4'-P-C4' energy: -29.618
flat angles P-C4'-P energy: -19.501
tors. eta vs tors. theta energy: -36.163
Dist. restrs. and SS energy: 0.825 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -385.236568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.236568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.403782 (E_RNA)
where:
Base-Base interactions energy: -249.908
where: short stacking energy: -108.534
Base-Backbone interact. energy: 0.782
local terms energy: -136.277273
where:
bonds (distance) C4'-P energy: -29.277
bonds (distance) P-C4' energy: -29.222
flat angles C4'-P-C4' energy: -28.814
flat angles P-C4'-P energy: -16.327
tors. eta vs tors. theta energy: -32.637
Dist. restrs. and SS energy: 0.167 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -369.550676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.550676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.959743 (E_RNA)
where:
Base-Base interactions energy: -246.373
where: short stacking energy: -102.403
Base-Backbone interact. energy: 0.954
local terms energy: -124.540827
where:
bonds (distance) C4'-P energy: -29.708
bonds (distance) P-C4' energy: -27.937
flat angles C4'-P-C4' energy: -24.769
flat angles P-C4'-P energy: -14.718
tors. eta vs tors. theta energy: -27.409
Dist. restrs. and SS energy: 0.409 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -366.339653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.339653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.483935 (E_RNA)
where:
Base-Base interactions energy: -245.736
where: short stacking energy: -99.988
Base-Backbone interact. energy: -1.443
local terms energy: -119.304445
where:
bonds (distance) C4'-P energy: -23.550
bonds (distance) P-C4' energy: -21.622
flat angles C4'-P-C4' energy: -28.841
flat angles P-C4'-P energy: -18.136
tors. eta vs tors. theta energy: -27.157
Dist. restrs. and SS energy: 0.144 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -344.820411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.820411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.321290 (E_RNA)
where:
Base-Base interactions energy: -230.491
where: short stacking energy: -85.720
Base-Backbone interact. energy: -0.891
local terms energy: -116.939559
where:
bonds (distance) C4'-P energy: -20.118
bonds (distance) P-C4' energy: -23.612
flat angles C4'-P-C4' energy: -28.230
flat angles P-C4'-P energy: -19.552
tors. eta vs tors. theta energy: -25.427
Dist. restrs. and SS energy: 3.501 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -335.424432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.424432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.580631 (E_RNA)
where:
Base-Base interactions energy: -218.244
where: short stacking energy: -84.152
Base-Backbone interact. energy: -0.230
local terms energy: -117.106586
where:
bonds (distance) C4'-P energy: -19.392
bonds (distance) P-C4' energy: -22.687
flat angles C4'-P-C4' energy: -30.834
flat angles P-C4'-P energy: -20.393
tors. eta vs tors. theta energy: -23.800
Dist. restrs. and SS energy: 0.156 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -321.651947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.651947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.777453 (E_RNA)
where:
Base-Base interactions energy: -224.002
where: short stacking energy: -91.381
Base-Backbone interact. energy: 1.451
local terms energy: -99.226655
where:
bonds (distance) C4'-P energy: -18.576
bonds (distance) P-C4' energy: -21.360
flat angles C4'-P-C4' energy: -27.305
flat angles P-C4'-P energy: -6.938
tors. eta vs tors. theta energy: -25.047
Dist. restrs. and SS energy: 0.126 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -319.273412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.273412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.444948 (E_RNA)
where:
Base-Base interactions energy: -220.487
where: short stacking energy: -74.270
Base-Backbone interact. energy: -0.488
local terms energy: -98.470650
where:
bonds (distance) C4'-P energy: -20.037
bonds (distance) P-C4' energy: -21.584
flat angles C4'-P-C4' energy: -23.720
flat angles P-C4'-P energy: -14.375
tors. eta vs tors. theta energy: -18.753
Dist. restrs. and SS energy: 0.172 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -439.266019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.266019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.310530 (E_RNA)
where:
Base-Base interactions energy: -306.095
where: short stacking energy: -114.260
Base-Backbone interact. energy: -0.568
local terms energy: -132.647494
where:
bonds (distance) C4'-P energy: -31.059
bonds (distance) P-C4' energy: -29.462
flat angles C4'-P-C4' energy: -22.163
flat angles P-C4'-P energy: -22.985
tors. eta vs tors. theta energy: -26.979
Dist. restrs. and SS energy: 0.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -420.639425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.639425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.775822 (E_RNA)
where:
Base-Base interactions energy: -298.740
where: short stacking energy: -110.730
Base-Backbone interact. energy: -0.275
local terms energy: -121.760685
where:
bonds (distance) C4'-P energy: -24.535
bonds (distance) P-C4' energy: -24.685
flat angles C4'-P-C4' energy: -27.002
flat angles P-C4'-P energy: -13.242
tors. eta vs tors. theta energy: -32.297
Dist. restrs. and SS energy: 0.136 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -385.909292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.909292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.195920 (E_RNA)
where:
Base-Base interactions energy: -262.426
where: short stacking energy: -116.516
Base-Backbone interact. energy: -0.807
local terms energy: -122.963058
where:
bonds (distance) C4'-P energy: -24.978
bonds (distance) P-C4' energy: -20.912
flat angles C4'-P-C4' energy: -28.580
flat angles P-C4'-P energy: -14.519
tors. eta vs tors. theta energy: -33.973
Dist. restrs. and SS energy: 0.287 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -380.908880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.908880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.619851 (E_RNA)
where:
Base-Base interactions energy: -255.914
where: short stacking energy: -115.077
Base-Backbone interact. energy: -0.178
local terms energy: -125.528120
where:
bonds (distance) C4'-P energy: -22.135
bonds (distance) P-C4' energy: -24.099
flat angles C4'-P-C4' energy: -26.790
flat angles P-C4'-P energy: -20.424
tors. eta vs tors. theta energy: -32.080
Dist. restrs. and SS energy: 0.711 (S_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: 376
Temperature: 1.100000
Total energy: -376.806226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.806226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.005406 (E_RNA)
where:
Base-Base interactions energy: -251.014
where: short stacking energy: -106.229
Base-Backbone interact. energy: -0.280
local terms energy: -125.711297
where:
bonds (distance) C4'-P energy: -27.525
bonds (distance) P-C4' energy: -24.977
flat angles C4'-P-C4' energy: -25.565
flat angles P-C4'-P energy: -19.160
tors. eta vs tors. theta energy: -28.485
Dist. restrs. and SS energy: 0.199 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -350.832465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.832465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.906318 (E_RNA)
where:
Base-Base interactions energy: -230.601
where: short stacking energy: -91.089
Base-Backbone interact. energy: -0.576
local terms energy: -119.728632
where:
bonds (distance) C4'-P energy: -27.202
bonds (distance) P-C4' energy: -26.707
flat angles C4'-P-C4' energy: -25.968
flat angles P-C4'-P energy: -13.684
tors. eta vs tors. theta energy: -26.167
Dist. restrs. and SS energy: 0.074 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -353.493731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.493731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.726353 (E_RNA)
where:
Base-Base interactions energy: -238.391
where: short stacking energy: -100.351
Base-Backbone interact. energy: -0.357
local terms energy: -114.978626
where:
bonds (distance) C4'-P energy: -24.642
bonds (distance) P-C4' energy: -27.290
flat angles C4'-P-C4' energy: -24.408
flat angles P-C4'-P energy: -10.351
tors. eta vs tors. theta energy: -28.287
Dist. restrs. and SS energy: 0.233 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -330.754042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.754042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.273503 (E_RNA)
where:
Base-Base interactions energy: -217.178
where: short stacking energy: -82.475
Base-Backbone interact. energy: -0.372
local terms energy: -116.724059
where:
bonds (distance) C4'-P energy: -24.443
bonds (distance) P-C4' energy: -23.385
flat angles C4'-P-C4' energy: -25.923
flat angles P-C4'-P energy: -14.699
tors. eta vs tors. theta energy: -28.274
Dist. restrs. and SS energy: 3.519 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -330.450511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.450511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.761412 (E_RNA)
where:
Base-Base interactions energy: -219.464
where: short stacking energy: -82.386
Base-Backbone interact. energy: -0.112
local terms energy: -111.185376
where:
bonds (distance) C4'-P energy: -24.660
bonds (distance) P-C4' energy: -25.838
flat angles C4'-P-C4' energy: -21.669
flat angles P-C4'-P energy: -18.283
tors. eta vs tors. theta energy: -20.735
Dist. restrs. and SS energy: 0.311 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -323.342989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.342989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.669064 (E_RNA)
where:
Base-Base interactions energy: -216.969
where: short stacking energy: -88.943
Base-Backbone interact. energy: -0.503
local terms energy: -106.196606
where:
bonds (distance) C4'-P energy: -20.184
bonds (distance) P-C4' energy: -22.481
flat angles C4'-P-C4' energy: -23.556
flat angles P-C4'-P energy: -11.938
tors. eta vs tors. theta energy: -28.039
Dist. restrs. and SS energy: 0.326 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -442.113157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.113157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.172223 (E_RNA)
where:
Base-Base interactions energy: -308.501
where: short stacking energy: -117.581
Base-Backbone interact. energy: -0.330
local terms energy: -133.341652
where:
bonds (distance) C4'-P energy: -24.220
bonds (distance) P-C4' energy: -25.244
flat angles C4'-P-C4' energy: -32.429
flat angles P-C4'-P energy: -20.708
tors. eta vs tors. theta energy: -30.741
Dist. restrs. and SS energy: 0.059 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -408.254904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.254904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.746500 (E_RNA)
where:
Base-Base interactions energy: -283.590
where: short stacking energy: -105.690
Base-Backbone interact. energy: -0.845
local terms energy: -124.311458
where:
bonds (distance) C4'-P energy: -26.043
bonds (distance) P-C4' energy: -25.449
flat angles C4'-P-C4' energy: -26.320
flat angles P-C4'-P energy: -17.317
tors. eta vs tors. theta energy: -29.183
Dist. restrs. and SS energy: 0.492 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -389.332381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.332381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.381721 (E_RNA)
where:
Base-Base interactions energy: -269.969
where: short stacking energy: -110.100
Base-Backbone interact. energy: -0.406
local terms energy: -119.006818
where:
bonds (distance) C4'-P energy: -20.882
bonds (distance) P-C4' energy: -31.804
flat angles C4'-P-C4' energy: -23.977
flat angles P-C4'-P energy: -17.086
tors. eta vs tors. theta energy: -25.259
Dist. restrs. and SS energy: 0.049 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -372.255365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.255365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.677564 (E_RNA)
where:
Base-Base interactions energy: -249.246
where: short stacking energy: -100.788
Base-Backbone interact. energy: -0.541
local terms energy: -122.890494
where:
bonds (distance) C4'-P energy: -27.214
bonds (distance) P-C4' energy: -24.894
flat angles C4'-P-C4' energy: -28.104
flat angles P-C4'-P energy: -17.056
tors. eta vs tors. theta energy: -25.622
Dist. restrs. and SS energy: 0.422 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -358.692947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.692947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.917806 (E_RNA)
where:
Base-Base interactions energy: -245.527
where: short stacking energy: -105.495
Base-Backbone interact. energy: -0.966
local terms energy: -112.424119
where:
bonds (distance) C4'-P energy: -11.087
bonds (distance) P-C4' energy: -26.526
flat angles C4'-P-C4' energy: -31.522
flat angles P-C4'-P energy: -18.013
tors. eta vs tors. theta energy: -25.276
Dist. restrs. and SS energy: 0.225 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -349.825186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.825186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.105905 (E_RNA)
where:
Base-Base interactions energy: -230.910
where: short stacking energy: -77.197
Base-Backbone interact. energy: 1.341
local terms energy: -120.536460
where:
bonds (distance) C4'-P energy: -25.916
bonds (distance) P-C4' energy: -20.146
flat angles C4'-P-C4' energy: -30.674
flat angles P-C4'-P energy: -20.735
tors. eta vs tors. theta energy: -23.065
Dist. restrs. and SS energy: 0.281 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -359.656152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.656152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.815608 (E_RNA)
where:
Base-Base interactions energy: -246.351
where: short stacking energy: -96.864
Base-Backbone interact. energy: -0.902
local terms energy: -112.562422
where:
bonds (distance) C4'-P energy: -19.100
bonds (distance) P-C4' energy: -21.444
flat angles C4'-P-C4' energy: -28.393
flat angles P-C4'-P energy: -15.969
tors. eta vs tors. theta energy: -27.656
Dist. restrs. and SS energy: 0.159 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -344.160350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.160350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.856382 (E_RNA)
where:
Base-Base interactions energy: -223.368
where: short stacking energy: -86.865
Base-Backbone interact. energy: -2.589
local terms energy: -118.900015
where:
bonds (distance) C4'-P energy: -25.905
bonds (distance) P-C4' energy: -25.304
flat angles C4'-P-C4' energy: -28.131
flat angles P-C4'-P energy: -15.947
tors. eta vs tors. theta energy: -23.613
Dist. restrs. and SS energy: 0.696 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -337.147605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.147605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.315566 (E_RNA)
where:
Base-Base interactions energy: -224.642
where: short stacking energy: -85.549
Base-Backbone interact. energy: 2.289
local terms energy: -114.962571
where:
bonds (distance) C4'-P energy: -25.106
bonds (distance) P-C4' energy: -21.799
flat angles C4'-P-C4' energy: -28.499
flat angles P-C4'-P energy: -13.758
tors. eta vs tors. theta energy: -25.800
Dist. restrs. and SS energy: 0.168 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -315.184589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.184589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.489252 (E_RNA)
where:
Base-Base interactions energy: -223.252
where: short stacking energy: -78.507
Base-Backbone interact. energy: -1.101
local terms energy: -91.136541
where:
bonds (distance) C4'-P energy: -18.553
bonds (distance) P-C4' energy: -22.680
flat angles C4'-P-C4' energy: -21.065
flat angles P-C4'-P energy: -8.295
tors. eta vs tors. theta energy: -20.543
Dist. restrs. and SS energy: 0.305 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -433.207469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.207469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.510817 (E_RNA)
where:
Base-Base interactions energy: -302.854
where: short stacking energy: -109.559
Base-Backbone interact. energy: -0.704
local terms energy: -129.953340
where:
bonds (distance) C4'-P energy: -28.700
bonds (distance) P-C4' energy: -24.968
flat angles C4'-P-C4' energy: -26.508
flat angles P-C4'-P energy: -18.680
tors. eta vs tors. theta energy: -31.097
Dist. restrs. and SS energy: 0.303 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -414.598065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.598065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.025700 (E_RNA)
where:
Base-Base interactions energy: -286.996
where: short stacking energy: -115.290
Base-Backbone interact. energy: -0.494
local terms energy: -127.536244
where:
bonds (distance) C4'-P energy: -22.191
bonds (distance) P-C4' energy: -26.108
flat angles C4'-P-C4' energy: -31.725
flat angles P-C4'-P energy: -17.075
tors. eta vs tors. theta energy: -30.437
Dist. restrs. and SS energy: 0.428 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -393.527202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.527202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.617502 (E_RNA)
where:
Base-Base interactions energy: -274.121
where: short stacking energy: -106.867
Base-Backbone interact. energy: -1.943
local terms energy: -117.554249
where:
bonds (distance) C4'-P energy: -25.033
bonds (distance) P-C4' energy: -19.749
flat angles C4'-P-C4' energy: -24.905
flat angles P-C4'-P energy: -22.251
tors. eta vs tors. theta energy: -25.616
Dist. restrs. and SS energy: 0.090 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -378.645057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.645057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.138880 (E_RNA)
where:
Base-Base interactions energy: -245.762
where: short stacking energy: -105.399
Base-Backbone interact. energy: -0.106
local terms energy: -133.270766
where:
bonds (distance) C4'-P energy: -27.111
bonds (distance) P-C4' energy: -26.015
flat angles C4'-P-C4' energy: -27.195
flat angles P-C4'-P energy: -22.330
tors. eta vs tors. theta energy: -30.619
Dist. restrs. and SS energy: 0.494 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -372.858645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.858645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.151842 (E_RNA)
where:
Base-Base interactions energy: -252.608
where: short stacking energy: -100.384
Base-Backbone interact. energy: -0.742
local terms energy: -119.802616
where:
bonds (distance) C4'-P energy: -27.112
bonds (distance) P-C4' energy: -27.220
flat angles C4'-P-C4' energy: -24.210
flat angles P-C4'-P energy: -20.249
tors. eta vs tors. theta energy: -21.012
Dist. restrs. and SS energy: 0.293 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -368.244828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.244828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.277108 (E_RNA)
where:
Base-Base interactions energy: -247.544
where: short stacking energy: -94.245
Base-Backbone interact. energy: -0.895
local terms energy: -119.838072
where:
bonds (distance) C4'-P energy: -24.511
bonds (distance) P-C4' energy: -28.190
flat angles C4'-P-C4' energy: -25.445
flat angles P-C4'-P energy: -15.595
tors. eta vs tors. theta energy: -26.097
Dist. restrs. and SS energy: 0.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -371.808927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.808927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.932421 (E_RNA)
where:
Base-Base interactions energy: -250.105
where: short stacking energy: -96.190
Base-Backbone interact. energy: 1.935
local terms energy: -123.762433
where:
bonds (distance) C4'-P energy: -28.687
bonds (distance) P-C4' energy: -21.303
flat angles C4'-P-C4' energy: -25.535
flat angles P-C4'-P energy: -16.630
tors. eta vs tors. theta energy: -31.607
Dist. restrs. and SS energy: 0.123 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -346.316262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.316262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.927971 (E_RNA)
where:
Base-Base interactions energy: -241.863
where: short stacking energy: -91.713
Base-Backbone interact. energy: 0.754
local terms energy: -105.819498
where:
bonds (distance) C4'-P energy: -23.703
bonds (distance) P-C4' energy: -26.027
flat angles C4'-P-C4' energy: -23.065
flat angles P-C4'-P energy: -10.799
tors. eta vs tors. theta energy: -22.226
Dist. restrs. and SS energy: 0.612 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -343.554728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.554728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.221688 (E_RNA)
where:
Base-Base interactions energy: -232.010
where: short stacking energy: -86.884
Base-Backbone interact. energy: -0.589
local terms energy: -111.623211
where:
bonds (distance) C4'-P energy: -29.435
bonds (distance) P-C4' energy: -23.675
flat angles C4'-P-C4' energy: -19.302
flat angles P-C4'-P energy: -12.340
tors. eta vs tors. theta energy: -26.872
Dist. restrs. and SS energy: 0.667 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -315.166335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.166335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.976878 (E_RNA)
where:
Base-Base interactions energy: -202.582
where: short stacking energy: -82.793
Base-Backbone interact. energy: -0.384
local terms energy: -115.011197
where:
bonds (distance) C4'-P energy: -20.330
bonds (distance) P-C4' energy: -20.321
flat angles C4'-P-C4' energy: -24.989
flat angles P-C4'-P energy: -16.627
tors. eta vs tors. theta energy: -32.744
Dist. restrs. and SS energy: 2.811 (S_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: 379
Temperature: 0.900000
Total energy: -442.373884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.373884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.660408 (E_RNA)
where:
Base-Base interactions energy: -312.863
where: short stacking energy: -117.866
Base-Backbone interact. energy: -0.446
local terms energy: -129.351660
where:
bonds (distance) C4'-P energy: -25.331
bonds (distance) P-C4' energy: -28.384
flat angles C4'-P-C4' energy: -25.600
flat angles P-C4'-P energy: -16.766
tors. eta vs tors. theta energy: -33.271
Dist. restrs. and SS energy: 0.287 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -410.173019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.173019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.201443 (E_RNA)
where:
Base-Base interactions energy: -277.017
where: short stacking energy: -108.484
Base-Backbone interact. energy: -1.393
local terms energy: -131.791401
where:
bonds (distance) C4'-P energy: -26.530
bonds (distance) P-C4' energy: -28.683
flat angles C4'-P-C4' energy: -31.180
flat angles P-C4'-P energy: -17.420
tors. eta vs tors. theta energy: -27.978
Dist. restrs. and SS energy: 0.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -398.009508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.009508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.400539 (E_RNA)
where:
Base-Base interactions energy: -269.432
where: short stacking energy: -108.012
Base-Backbone interact. energy: -1.547
local terms energy: -127.422142
where:
bonds (distance) C4'-P energy: -26.563
bonds (distance) P-C4' energy: -28.900
flat angles C4'-P-C4' energy: -25.059
flat angles P-C4'-P energy: -17.440
tors. eta vs tors. theta energy: -29.460
Dist. restrs. and SS energy: 0.391 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -385.821240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.821240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.029863 (E_RNA)
where:
Base-Base interactions energy: -255.638
where: short stacking energy: -102.860
Base-Backbone interact. energy: -0.238
local terms energy: -130.154028
where:
bonds (distance) C4'-P energy: -24.394
bonds (distance) P-C4' energy: -26.573
flat angles C4'-P-C4' energy: -33.247
flat angles P-C4'-P energy: -12.119
tors. eta vs tors. theta energy: -33.821
Dist. restrs. and SS energy: 0.209 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -369.624267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.624267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.889316 (E_RNA)
where:
Base-Base interactions energy: -241.354
where: short stacking energy: -97.634
Base-Backbone interact. energy: -0.891
local terms energy: -127.644817
where:
bonds (distance) C4'-P energy: -25.708
bonds (distance) P-C4' energy: -24.015
flat angles C4'-P-C4' energy: -26.063
flat angles P-C4'-P energy: -19.148
tors. eta vs tors. theta energy: -32.711
Dist. restrs. and SS energy: 0.265 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -372.618555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.618555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.849688 (E_RNA)
where:
Base-Base interactions energy: -250.747
where: short stacking energy: -113.867
Base-Backbone interact. energy: -1.092
local terms energy: -121.010757
where:
bonds (distance) C4'-P energy: -15.117
bonds (distance) P-C4' energy: -28.443
flat angles C4'-P-C4' energy: -25.130
flat angles P-C4'-P energy: -17.043
tors. eta vs tors. theta energy: -35.278
Dist. restrs. and SS energy: 0.231 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -360.291728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.291728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.475119 (E_RNA)
where:
Base-Base interactions energy: -246.627
where: short stacking energy: -92.050
Base-Backbone interact. energy: -0.453
local terms energy: -113.395752
where:
bonds (distance) C4'-P energy: -23.328
bonds (distance) P-C4' energy: -25.691
flat angles C4'-P-C4' energy: -20.840
flat angles P-C4'-P energy: -18.498
tors. eta vs tors. theta energy: -25.039
Dist. restrs. and SS energy: 0.183 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -359.340001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.340001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.452848 (E_RNA)
where:
Base-Base interactions energy: -253.027
where: short stacking energy: -93.862
Base-Backbone interact. energy: -0.203
local terms energy: -106.223220
where:
bonds (distance) C4'-P energy: -21.940
bonds (distance) P-C4' energy: -22.270
flat angles C4'-P-C4' energy: -25.326
flat angles P-C4'-P energy: -14.642
tors. eta vs tors. theta energy: -22.045
Dist. restrs. and SS energy: 0.113 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -317.446746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.446746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.886840 (E_RNA)
where:
Base-Base interactions energy: -229.445
where: short stacking energy: -89.760
Base-Backbone interact. energy: -0.802
local terms energy: -87.640064
where:
bonds (distance) C4'-P energy: -19.057
bonds (distance) P-C4' energy: -21.376
flat angles C4'-P-C4' energy: -19.104
flat angles P-C4'-P energy: -14.182
tors. eta vs tors. theta energy: -13.922
Dist. restrs. and SS energy: 0.440 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -312.154642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.154642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.061336 (E_RNA)
where:
Base-Base interactions energy: -211.915
where: short stacking energy: -68.888
Base-Backbone interact. energy: 1.741
local terms energy: -102.888088
where:
bonds (distance) C4'-P energy: -21.691
bonds (distance) P-C4' energy: -19.823
flat angles C4'-P-C4' energy: -26.786
flat angles P-C4'-P energy: -21.178
tors. eta vs tors. theta energy: -13.410
Dist. restrs. and SS energy: 0.907 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -423.756944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.756944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.758580 (E_RNA)
where:
Base-Base interactions energy: -292.745
where: short stacking energy: -115.653
Base-Backbone interact. energy: -0.238
local terms energy: -130.776047
where:
bonds (distance) C4'-P energy: -25.936
bonds (distance) P-C4' energy: -28.854
flat angles C4'-P-C4' energy: -30.711
flat angles P-C4'-P energy: -15.633
tors. eta vs tors. theta energy: -29.643
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -424.909740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.909740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.184122 (E_RNA)
where:
Base-Base interactions energy: -302.451
where: short stacking energy: -103.324
Base-Backbone interact. energy: -0.524
local terms energy: -122.209348
where:
bonds (distance) C4'-P energy: -25.169
bonds (distance) P-C4' energy: -28.662
flat angles C4'-P-C4' energy: -26.230
flat angles P-C4'-P energy: -18.119
tors. eta vs tors. theta energy: -24.030
Dist. restrs. and SS energy: 0.274 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -404.031970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.031970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.257241 (E_RNA)
where:
Base-Base interactions energy: -272.587
where: short stacking energy: -109.563
Base-Backbone interact. energy: -0.205
local terms energy: -131.464997
where:
bonds (distance) C4'-P energy: -24.953
bonds (distance) P-C4' energy: -24.110
flat angles C4'-P-C4' energy: -30.016
flat angles P-C4'-P energy: -21.053
tors. eta vs tors. theta energy: -31.333
Dist. restrs. and SS energy: 0.225 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -398.343721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.343721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.464040 (E_RNA)
where:
Base-Base interactions energy: -267.062
where: short stacking energy: -116.957
Base-Backbone interact. energy: -0.684
local terms energy: -130.718304
where:
bonds (distance) C4'-P energy: -20.521
bonds (distance) P-C4' energy: -29.664
flat angles C4'-P-C4' energy: -29.594
flat angles P-C4'-P energy: -13.456
tors. eta vs tors. theta energy: -37.484
Dist. restrs. and SS energy: 0.120 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -381.667889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.667889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.833220 (E_RNA)
where:
Base-Base interactions energy: -255.739
where: short stacking energy: -98.341
Base-Backbone interact. energy: -2.148
local terms energy: -123.945864
where:
bonds (distance) C4'-P energy: -21.187
bonds (distance) P-C4' energy: -30.195
flat angles C4'-P-C4' energy: -20.455
flat angles P-C4'-P energy: -16.197
tors. eta vs tors. theta energy: -35.911
Dist. restrs. and SS energy: 0.165 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -351.913564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.913564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.515470 (E_RNA)
where:
Base-Base interactions energy: -234.221
where: short stacking energy: -93.704
Base-Backbone interact. energy: -0.473
local terms energy: -117.822186
where:
bonds (distance) C4'-P energy: -25.396
bonds (distance) P-C4' energy: -27.534
flat angles C4'-P-C4' energy: -23.707
flat angles P-C4'-P energy: -16.579
tors. eta vs tors. theta energy: -24.607
Dist. restrs. and SS energy: 0.602 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -361.964573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.964573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.493361 (E_RNA)
where:
Base-Base interactions energy: -251.919
where: short stacking energy: -97.671
Base-Backbone interact. energy: -0.666
local terms energy: -109.909203
where:
bonds (distance) C4'-P energy: -22.494
bonds (distance) P-C4' energy: -20.812
flat angles C4'-P-C4' energy: -25.916
flat angles P-C4'-P energy: -15.434
tors. eta vs tors. theta energy: -25.253
Dist. restrs. and SS energy: 0.529 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -340.484521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.484521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.180377 (E_RNA)
where:
Base-Base interactions energy: -235.647
where: short stacking energy: -87.238
Base-Backbone interact. energy: -0.203
local terms energy: -105.330646
where:
bonds (distance) C4'-P energy: -26.197
bonds (distance) P-C4' energy: -16.613
flat angles C4'-P-C4' energy: -27.901
flat angles P-C4'-P energy: -14.356
tors. eta vs tors. theta energy: -20.264
Dist. restrs. and SS energy: 0.696 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -327.715655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.715655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.882568 (E_RNA)
where:
Base-Base interactions energy: -232.739
where: short stacking energy: -96.397
Base-Backbone interact. energy: 1.198
local terms energy: -96.341233
where:
bonds (distance) C4'-P energy: -15.167
bonds (distance) P-C4' energy: -23.616
flat angles C4'-P-C4' energy: -20.556
flat angles P-C4'-P energy: -12.118
tors. eta vs tors. theta energy: -24.884
Dist. restrs. and SS energy: 0.167 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -318.800919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.800919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.083451 (E_RNA)
where:
Base-Base interactions energy: -211.803
where: short stacking energy: -72.660
Base-Backbone interact. energy: -0.015
local terms energy: -107.265249
where:
bonds (distance) C4'-P energy: -21.564
bonds (distance) P-C4' energy: -30.826
flat angles C4'-P-C4' energy: -19.980
flat angles P-C4'-P energy: -16.027
tors. eta vs tors. theta energy: -18.869
Dist. restrs. and SS energy: 0.283 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -412.463339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.463339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.494781 (E_RNA)
where:
Base-Base interactions energy: -288.482
where: short stacking energy: -112.937
Base-Backbone interact. energy: -0.414
local terms energy: -123.598574
where:
bonds (distance) C4'-P energy: -24.085
bonds (distance) P-C4' energy: -20.956
flat angles C4'-P-C4' energy: -30.554
flat angles P-C4'-P energy: -18.804
tors. eta vs tors. theta energy: -29.200
Dist. restrs. and SS energy: 0.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -442.714055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.714055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.938811 (E_RNA)
where:
Base-Base interactions energy: -311.925
where: short stacking energy: -114.840
Base-Backbone interact. energy: 2.648
local terms energy: -133.662230
where:
bonds (distance) C4'-P energy: -26.535
bonds (distance) P-C4' energy: -25.207
flat angles C4'-P-C4' energy: -26.787
flat angles P-C4'-P energy: -21.068
tors. eta vs tors. theta energy: -34.066
Dist. restrs. and SS energy: 0.225 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -389.855227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.855227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.018622 (E_RNA)
where:
Base-Base interactions energy: -259.522
where: short stacking energy: -104.097
Base-Backbone interact. energy: -0.294
local terms energy: -130.202581
where:
bonds (distance) C4'-P energy: -24.149
bonds (distance) P-C4' energy: -29.736
flat angles C4'-P-C4' energy: -31.278
flat angles P-C4'-P energy: -19.642
tors. eta vs tors. theta energy: -25.398
Dist. restrs. and SS energy: 0.163 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -394.892360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.892360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.198956 (E_RNA)
where:
Base-Base interactions energy: -266.061
where: short stacking energy: -110.185
Base-Backbone interact. energy: -0.212
local terms energy: -128.926361
where:
bonds (distance) C4'-P energy: -28.221
bonds (distance) P-C4' energy: -22.829
flat angles C4'-P-C4' energy: -26.208
flat angles P-C4'-P energy: -16.625
tors. eta vs tors. theta energy: -35.043
Dist. restrs. and SS energy: 0.307 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -381.910881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.910881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.008911 (E_RNA)
where:
Base-Base interactions energy: -257.666
where: short stacking energy: -112.614
Base-Backbone interact. energy: -0.529
local terms energy: -123.813786
where:
bonds (distance) C4'-P energy: -26.209
bonds (distance) P-C4' energy: -25.328
flat angles C4'-P-C4' energy: -23.202
flat angles P-C4'-P energy: -15.673
tors. eta vs tors. theta energy: -33.402
Dist. restrs. and SS energy: 0.098 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -351.398574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.398574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.546042 (E_RNA)
where:
Base-Base interactions energy: -232.339
where: short stacking energy: -93.178
Base-Backbone interact. energy: -0.383
local terms energy: -118.823434
where:
bonds (distance) C4'-P energy: -21.601
bonds (distance) P-C4' energy: -23.662
flat angles C4'-P-C4' energy: -29.141
flat angles P-C4'-P energy: -17.882
tors. eta vs tors. theta energy: -26.538
Dist. restrs. and SS energy: 0.147 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -348.664247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.664247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.717551 (E_RNA)
where:
Base-Base interactions energy: -230.952
where: short stacking energy: -95.721
Base-Backbone interact. energy: -0.314
local terms energy: -117.451749
where:
bonds (distance) C4'-P energy: -23.050
bonds (distance) P-C4' energy: -26.490
flat angles C4'-P-C4' energy: -27.334
flat angles P-C4'-P energy: -15.188
tors. eta vs tors. theta energy: -25.389
Dist. restrs. and SS energy: 0.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -346.684992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.684992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.878305 (E_RNA)
where:
Base-Base interactions energy: -233.110
where: short stacking energy: -86.098
Base-Backbone interact. energy: -0.796
local terms energy: -112.972530
where:
bonds (distance) C4'-P energy: -26.296
bonds (distance) P-C4' energy: -22.876
flat angles C4'-P-C4' energy: -26.315
flat angles P-C4'-P energy: -15.623
tors. eta vs tors. theta energy: -21.862
Dist. restrs. and SS energy: 0.193 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -342.555044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.555044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.342943 (E_RNA)
where:
Base-Base interactions energy: -227.148
where: short stacking energy: -89.021
Base-Backbone interact. energy: -0.663
local terms energy: -115.532140
where:
bonds (distance) C4'-P energy: -25.889
bonds (distance) P-C4' energy: -23.668
flat angles C4'-P-C4' energy: -24.567
flat angles P-C4'-P energy: -16.533
tors. eta vs tors. theta energy: -24.875
Dist. restrs. and SS energy: 0.788 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -330.011346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.011346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.795719 (E_RNA)
where:
Base-Base interactions energy: -228.899
where: short stacking energy: -82.183
Base-Backbone interact. energy: -0.425
local terms energy: -101.471837
where:
bonds (distance) C4'-P energy: -26.836
bonds (distance) P-C4' energy: -24.412
flat angles C4'-P-C4' energy: -11.488
flat angles P-C4'-P energy: -20.176
tors. eta vs tors. theta energy: -18.560
Dist. restrs. and SS energy: 0.784 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -434.220008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.220008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.449577 (E_RNA)
where:
Base-Base interactions energy: -305.448
where: short stacking energy: -107.632
Base-Backbone interact. energy: -1.833
local terms energy: -127.168436
where:
bonds (distance) C4'-P energy: -25.774
bonds (distance) P-C4' energy: -21.207
flat angles C4'-P-C4' energy: -29.540
flat angles P-C4'-P energy: -18.774
tors. eta vs tors. theta energy: -31.873
Dist. restrs. and SS energy: 0.230 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -404.579528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.579528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.844150 (E_RNA)
where:
Base-Base interactions energy: -274.757
where: short stacking energy: -105.941
Base-Backbone interact. energy: 0.074
local terms energy: -130.161435
where:
bonds (distance) C4'-P energy: -26.660
bonds (distance) P-C4' energy: -28.630
flat angles C4'-P-C4' energy: -22.890
flat angles P-C4'-P energy: -22.220
tors. eta vs tors. theta energy: -29.762
Dist. restrs. and SS energy: 0.265 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -380.806093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.806093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.947397 (E_RNA)
where:
Base-Base interactions energy: -258.397
where: short stacking energy: -106.290
Base-Backbone interact. energy: 0.341
local terms energy: -122.890924
where:
bonds (distance) C4'-P energy: -27.600
bonds (distance) P-C4' energy: -24.792
flat angles C4'-P-C4' energy: -27.993
flat angles P-C4'-P energy: -13.300
tors. eta vs tors. theta energy: -29.206
Dist. restrs. and SS energy: 0.141 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -365.467241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.467241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.040022 (E_RNA)
where:
Base-Base interactions energy: -255.788
where: short stacking energy: -111.365
Base-Backbone interact. energy: -1.682
local terms energy: -108.570666
where:
bonds (distance) C4'-P energy: -20.193
bonds (distance) P-C4' energy: -22.385
flat angles C4'-P-C4' energy: -21.304
flat angles P-C4'-P energy: -13.052
tors. eta vs tors. theta energy: -31.637
Dist. restrs. and SS energy: 0.573 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -370.378779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.378779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.627549 (E_RNA)
where:
Base-Base interactions energy: -253.182
where: short stacking energy: -105.254
Base-Backbone interact. energy: -0.090
local terms energy: -117.355535
where:
bonds (distance) C4'-P energy: -24.639
bonds (distance) P-C4' energy: -28.145
flat angles C4'-P-C4' energy: -20.294
flat angles P-C4'-P energy: -10.864
tors. eta vs tors. theta energy: -33.414
Dist. restrs. and SS energy: 0.249 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -366.613429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.613429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.854823 (E_RNA)
where:
Base-Base interactions energy: -252.890
where: short stacking energy: -111.808
Base-Backbone interact. energy: 2.602
local terms energy: -116.566213
where:
bonds (distance) C4'-P energy: -25.400
bonds (distance) P-C4' energy: -18.101
flat angles C4'-P-C4' energy: -21.786
flat angles P-C4'-P energy: -18.954
tors. eta vs tors. theta energy: -32.325
Dist. restrs. and SS energy: 0.241 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -363.817399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.817399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.086228 (E_RNA)
where:
Base-Base interactions energy: -259.161
where: short stacking energy: -99.941
Base-Backbone interact. energy: -0.572
local terms energy: -104.353764
where:
bonds (distance) C4'-P energy: -19.850
bonds (distance) P-C4' energy: -17.750
flat angles C4'-P-C4' energy: -26.245
flat angles P-C4'-P energy: -17.053
tors. eta vs tors. theta energy: -23.456
Dist. restrs. and SS energy: 0.269 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -350.626972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.626972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.891946 (E_RNA)
where:
Base-Base interactions energy: -235.666
where: short stacking energy: -94.901
Base-Backbone interact. energy: -1.397
local terms energy: -113.829475
where:
bonds (distance) C4'-P energy: -23.463
bonds (distance) P-C4' energy: -19.266
flat angles C4'-P-C4' energy: -28.121
flat angles P-C4'-P energy: -12.563
tors. eta vs tors. theta energy: -30.417
Dist. restrs. and SS energy: 0.265 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -330.622461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.622461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.795422 (E_RNA)
where:
Base-Base interactions energy: -233.750
where: short stacking energy: -82.552
Base-Backbone interact. energy: -0.401
local terms energy: -96.645206
where:
bonds (distance) C4'-P energy: -19.212
bonds (distance) P-C4' energy: -23.702
flat angles C4'-P-C4' energy: -22.034
flat angles P-C4'-P energy: -12.129
tors. eta vs tors. theta energy: -19.569
Dist. restrs. and SS energy: 0.173 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -306.824894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.824894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.776746 (E_RNA)
where:
Base-Base interactions energy: -219.369
where: short stacking energy: -82.739
Base-Backbone interact. energy: -0.366
local terms energy: -88.041636
where:
bonds (distance) C4'-P energy: -22.664
bonds (distance) P-C4' energy: -20.883
flat angles C4'-P-C4' energy: -17.614
flat angles P-C4'-P energy: -9.752
tors. eta vs tors. theta energy: -17.128
Dist. restrs. and SS energy: 0.952 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -449.097901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.097901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.160242 (E_RNA)
where:
Base-Base interactions energy: -311.326
where: short stacking energy: -120.135
Base-Backbone interact. energy: -0.715
local terms energy: -137.119630
where:
bonds (distance) C4'-P energy: -29.848
bonds (distance) P-C4' energy: -25.458
flat angles C4'-P-C4' energy: -32.188
flat angles P-C4'-P energy: -15.999
tors. eta vs tors. theta energy: -33.626
Dist. restrs. and SS energy: 0.062 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -405.476730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.476730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.514806 (E_RNA)
where:
Base-Base interactions energy: -280.917
where: short stacking energy: -113.629
Base-Backbone interact. energy: -0.744
local terms energy: -123.853043
where:
bonds (distance) C4'-P energy: -23.832
bonds (distance) P-C4' energy: -32.832
flat angles C4'-P-C4' energy: -23.164
flat angles P-C4'-P energy: -12.753
tors. eta vs tors. theta energy: -31.271
Dist. restrs. and SS energy: 0.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -384.231398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.231398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.635339 (E_RNA)
where:
Base-Base interactions energy: -259.770
where: short stacking energy: -112.828
Base-Backbone interact. energy: -0.995
local terms energy: -123.871281
where:
bonds (distance) C4'-P energy: -23.101
bonds (distance) P-C4' energy: -29.707
flat angles C4'-P-C4' energy: -25.565
flat angles P-C4'-P energy: -13.530
tors. eta vs tors. theta energy: -31.969
Dist. restrs. and SS energy: 0.404 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -377.587820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.587820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.754862 (E_RNA)
where:
Base-Base interactions energy: -251.240
where: short stacking energy: -94.561
Base-Backbone interact. energy: -0.971
local terms energy: -125.543766
where:
bonds (distance) C4'-P energy: -23.177
bonds (distance) P-C4' energy: -28.770
flat angles C4'-P-C4' energy: -26.377
flat angles P-C4'-P energy: -18.266
tors. eta vs tors. theta energy: -28.954
Dist. restrs. and SS energy: 0.167 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -378.762826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.762826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.041127 (E_RNA)
where:
Base-Base interactions energy: -259.278
where: short stacking energy: -105.640
Base-Backbone interact. energy: 1.898
local terms energy: -121.661306
where:
bonds (distance) C4'-P energy: -28.814
bonds (distance) P-C4' energy: -27.729
flat angles C4'-P-C4' energy: -21.448
flat angles P-C4'-P energy: -14.514
tors. eta vs tors. theta energy: -29.155
Dist. restrs. and SS energy: 0.278 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -378.402617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.402617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.470766 (E_RNA)
where:
Base-Base interactions energy: -247.975
where: short stacking energy: -90.764
Base-Backbone interact. energy: -0.863
local terms energy: -129.633077
where:
bonds (distance) C4'-P energy: -28.456
bonds (distance) P-C4' energy: -29.914
flat angles C4'-P-C4' energy: -24.576
flat angles P-C4'-P energy: -20.455
tors. eta vs tors. theta energy: -26.232
Dist. restrs. and SS energy: 0.068 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -372.813877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.813877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.196562 (E_RNA)
where:
Base-Base interactions energy: -259.107
where: short stacking energy: -104.313
Base-Backbone interact. energy: 0.327
local terms energy: -114.416950
where:
bonds (distance) C4'-P energy: -24.384
bonds (distance) P-C4' energy: -22.624
flat angles C4'-P-C4' energy: -23.370
flat angles P-C4'-P energy: -18.080
tors. eta vs tors. theta energy: -25.960
Dist. restrs. and SS energy: 0.383 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -343.666321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.666321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.225241 (E_RNA)
where:
Base-Base interactions energy: -224.958
where: short stacking energy: -93.928
Base-Backbone interact. energy: -0.920
local terms energy: -118.346537
where:
bonds (distance) C4'-P energy: -26.991
bonds (distance) P-C4' energy: -25.106
flat angles C4'-P-C4' energy: -26.964
flat angles P-C4'-P energy: -13.829
tors. eta vs tors. theta energy: -25.456
Dist. restrs. and SS energy: 0.559 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -340.807984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.807984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.998886 (E_RNA)
where:
Base-Base interactions energy: -237.133
where: short stacking energy: -91.183
Base-Backbone interact. energy: -0.383
local terms energy: -103.483308
where:
bonds (distance) C4'-P energy: -23.169
bonds (distance) P-C4' energy: -25.380
flat angles C4'-P-C4' energy: -23.846
flat angles P-C4'-P energy: -5.647
tors. eta vs tors. theta energy: -25.441
Dist. restrs. and SS energy: 0.191 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -324.911294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.911294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.124480 (E_RNA)
where:
Base-Base interactions energy: -212.708
where: short stacking energy: -81.067
Base-Backbone interact. energy: 1.352
local terms energy: -113.768817
where:
bonds (distance) C4'-P energy: -24.535
bonds (distance) P-C4' energy: -28.174
flat angles C4'-P-C4' energy: -22.487
flat angles P-C4'-P energy: -16.743
tors. eta vs tors. theta energy: -21.830
Dist. restrs. and SS energy: 0.213 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -452.461848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.461848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.527649 (E_RNA)
where:
Base-Base interactions energy: -310.739
where: short stacking energy: -113.164
Base-Backbone interact. energy: -0.824
local terms energy: -140.964022
where:
bonds (distance) C4'-P energy: -29.880
bonds (distance) P-C4' energy: -30.422
flat angles C4'-P-C4' energy: -26.779
flat angles P-C4'-P energy: -19.549
tors. eta vs tors. theta energy: -34.334
Dist. restrs. and SS energy: 0.066 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -409.018267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.018267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.170184 (E_RNA)
where:
Base-Base interactions energy: -278.186
where: short stacking energy: -114.973
Base-Backbone interact. energy: -1.274
local terms energy: -129.709804
where:
bonds (distance) C4'-P energy: -27.137
bonds (distance) P-C4' energy: -28.120
flat angles C4'-P-C4' energy: -29.206
flat angles P-C4'-P energy: -15.693
tors. eta vs tors. theta energy: -29.554
Dist. restrs. and SS energy: 0.152 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -388.480577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.480577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.536798 (E_RNA)
where:
Base-Base interactions energy: -268.097
where: short stacking energy: -109.269
Base-Backbone interact. energy: -0.101
local terms energy: -120.338568
where:
bonds (distance) C4'-P energy: -23.245
bonds (distance) P-C4' energy: -23.228
flat angles C4'-P-C4' energy: -25.635
flat angles P-C4'-P energy: -17.481
tors. eta vs tors. theta energy: -30.750
Dist. restrs. and SS energy: 0.056 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -394.394965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.394965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.636081 (E_RNA)
where:
Base-Base interactions energy: -270.419
where: short stacking energy: -113.922
Base-Backbone interact. energy: -0.832
local terms energy: -123.384725
where:
bonds (distance) C4'-P energy: -24.241
bonds (distance) P-C4' energy: -24.876
flat angles C4'-P-C4' energy: -29.898
flat angles P-C4'-P energy: -14.329
tors. eta vs tors. theta energy: -30.041
Dist. restrs. and SS energy: 0.241 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -387.929783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.929783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.277571 (E_RNA)
where:
Base-Base interactions energy: -261.727
where: short stacking energy: -102.558
Base-Backbone interact. energy: -1.185
local terms energy: -125.366186
where:
bonds (distance) C4'-P energy: -26.663
bonds (distance) P-C4' energy: -24.985
flat angles C4'-P-C4' energy: -26.328
flat angles P-C4'-P energy: -18.004
tors. eta vs tors. theta energy: -29.387
Dist. restrs. and SS energy: 0.348 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -367.671873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.671873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.794675 (E_RNA)
where:
Base-Base interactions energy: -255.283
where: short stacking energy: -100.596
Base-Backbone interact. energy: -0.647
local terms energy: -111.864308
where:
bonds (distance) C4'-P energy: -24.622
bonds (distance) P-C4' energy: -26.115
flat angles C4'-P-C4' energy: -27.596
flat angles P-C4'-P energy: -9.583
tors. eta vs tors. theta energy: -23.948
Dist. restrs. and SS energy: 0.123 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -348.265223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.265223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.357903 (E_RNA)
where:
Base-Base interactions energy: -232.366
where: short stacking energy: -98.925
Base-Backbone interact. energy: -0.102
local terms energy: -115.889387
where:
bonds (distance) C4'-P energy: -26.222
bonds (distance) P-C4' energy: -19.435
flat angles C4'-P-C4' energy: -25.392
flat angles P-C4'-P energy: -16.006
tors. eta vs tors. theta energy: -28.835
Dist. restrs. and SS energy: 0.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -353.962427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.962427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.292138 (E_RNA)
where:
Base-Base interactions energy: -238.350
where: short stacking energy: -85.948
Base-Backbone interact. energy: -1.953
local terms energy: -113.989028
where:
bonds (distance) C4'-P energy: -18.262
bonds (distance) P-C4' energy: -25.555
flat angles C4'-P-C4' energy: -25.573
flat angles P-C4'-P energy: -16.677
tors. eta vs tors. theta energy: -27.922
Dist. restrs. and SS energy: 0.330 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -327.590105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.590105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.708779 (E_RNA)
where:
Base-Base interactions energy: -232.641
where: short stacking energy: -103.318
Base-Backbone interact. energy: -0.501
local terms energy: -94.566621
where:
bonds (distance) C4'-P energy: -13.484
bonds (distance) P-C4' energy: -21.205
flat angles C4'-P-C4' energy: -21.296
flat angles P-C4'-P energy: -10.459
tors. eta vs tors. theta energy: -28.123
Dist. restrs. and SS energy: 0.119 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -318.598985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.598985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.151421 (E_RNA)
where:
Base-Base interactions energy: -210.064
where: short stacking energy: -70.634
Base-Backbone interact. energy: 0.894
local terms energy: -109.981457
where:
bonds (distance) C4'-P energy: -24.182
bonds (distance) P-C4' energy: -24.881
flat angles C4'-P-C4' energy: -24.706
flat angles P-C4'-P energy: -17.045
tors. eta vs tors. theta energy: -19.168
Dist. restrs. and SS energy: 0.552 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -431.969313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.969313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.332398 (E_RNA)
where:
Base-Base interactions energy: -308.024
where: short stacking energy: -113.068
Base-Backbone interact. energy: -0.624
local terms energy: -123.684475
where:
bonds (distance) C4'-P energy: -27.628
bonds (distance) P-C4' energy: -28.192
flat angles C4'-P-C4' energy: -26.471
flat angles P-C4'-P energy: -15.964
tors. eta vs tors. theta energy: -25.430
Dist. restrs. and SS energy: 0.363 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -399.280707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.280707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.302174 (E_RNA)
where:
Base-Base interactions energy: -270.773
where: short stacking energy: -119.014
Base-Backbone interact. energy: -0.601
local terms energy: -127.928559
where:
bonds (distance) C4'-P energy: -20.079
bonds (distance) P-C4' energy: -23.820
flat angles C4'-P-C4' energy: -30.330
flat angles P-C4'-P energy: -21.562
tors. eta vs tors. theta energy: -32.137
Dist. restrs. and SS energy: 0.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -387.382582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.382582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.618506 (E_RNA)
where:
Base-Base interactions energy: -267.649
where: short stacking energy: -107.332
Base-Backbone interact. energy: -0.397
local terms energy: -119.572397
where:
bonds (distance) C4'-P energy: -17.757
bonds (distance) P-C4' energy: -25.635
flat angles C4'-P-C4' energy: -25.992
flat angles P-C4'-P energy: -18.049
tors. eta vs tors. theta energy: -32.140
Dist. restrs. and SS energy: 0.236 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -390.590099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.590099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.713929 (E_RNA)
where:
Base-Base interactions energy: -278.495
where: short stacking energy: -103.962
Base-Backbone interact. energy: -0.830
local terms energy: -111.388897
where:
bonds (distance) C4'-P energy: -24.626
bonds (distance) P-C4' energy: -23.464
flat angles C4'-P-C4' energy: -27.733
flat angles P-C4'-P energy: -9.272
tors. eta vs tors. theta energy: -26.294
Dist. restrs. and SS energy: 0.124 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -381.978945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.978945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.267849 (E_RNA)
where:
Base-Base interactions energy: -254.254
where: short stacking energy: -111.169
Base-Backbone interact. energy: -0.868
local terms energy: -127.145860
where:
bonds (distance) C4'-P energy: -22.808
bonds (distance) P-C4' energy: -27.345
flat angles C4'-P-C4' energy: -30.570
flat angles P-C4'-P energy: -11.525
tors. eta vs tors. theta energy: -34.898
Dist. restrs. and SS energy: 0.289 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -386.684660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.684660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.051596 (E_RNA)
where:
Base-Base interactions energy: -265.001
where: short stacking energy: -103.551
Base-Backbone interact. energy: 1.605
local terms energy: -123.655124
where:
bonds (distance) C4'-P energy: -25.931
bonds (distance) P-C4' energy: -21.340
flat angles C4'-P-C4' energy: -25.757
flat angles P-C4'-P energy: -21.454
tors. eta vs tors. theta energy: -29.174
Dist. restrs. and SS energy: 0.367 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -347.155654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.155654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.699330 (E_RNA)
where:
Base-Base interactions energy: -231.421
where: short stacking energy: -93.742
Base-Backbone interact. energy: -0.248
local terms energy: -116.029887
where:
bonds (distance) C4'-P energy: -24.362
bonds (distance) P-C4' energy: -20.773
flat angles C4'-P-C4' energy: -29.908
flat angles P-C4'-P energy: -10.484
tors. eta vs tors. theta energy: -30.503
Dist. restrs. and SS energy: 0.544 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -339.783828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.783828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.991272 (E_RNA)
where:
Base-Base interactions energy: -220.796
where: short stacking energy: -95.113
Base-Backbone interact. energy: -0.574
local terms energy: -118.621735
where:
bonds (distance) C4'-P energy: -26.492
bonds (distance) P-C4' energy: -24.069
flat angles C4'-P-C4' energy: -29.282
flat angles P-C4'-P energy: -15.611
tors. eta vs tors. theta energy: -23.168
Dist. restrs. and SS energy: 0.207 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -331.332837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.332837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.519790 (E_RNA)
where:
Base-Base interactions energy: -230.994
where: short stacking energy: -89.716
Base-Backbone interact. energy: -0.301
local terms energy: -100.224987
where:
bonds (distance) C4'-P energy: -20.571
bonds (distance) P-C4' energy: -20.659
flat angles C4'-P-C4' energy: -22.752
flat angles P-C4'-P energy: -14.846
tors. eta vs tors. theta energy: -21.397
Dist. restrs. and SS energy: 0.187 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -313.464303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.464303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.451367 (E_RNA)
where:
Base-Base interactions energy: -217.703
where: short stacking energy: -80.048
Base-Backbone interact. energy: -0.780
local terms energy: -95.968338
where:
bonds (distance) C4'-P energy: -23.733
bonds (distance) P-C4' energy: -25.610
flat angles C4'-P-C4' energy: -10.998
flat angles P-C4'-P energy: -15.871
tors. eta vs tors. theta energy: -19.757
Dist. restrs. and SS energy: 0.987 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -427.751893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.751893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.021097 (E_RNA)
where:
Base-Base interactions energy: -294.375
where: short stacking energy: -115.179
Base-Backbone interact. energy: -0.495
local terms energy: -133.150667
where:
bonds (distance) C4'-P energy: -26.485
bonds (distance) P-C4' energy: -24.044
flat angles C4'-P-C4' energy: -30.961
flat angles P-C4'-P energy: -18.816
tors. eta vs tors. theta energy: -32.844
Dist. restrs. and SS energy: 0.269 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -394.522307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.522307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.608998 (E_RNA)
where:
Base-Base interactions energy: -257.558
where: short stacking energy: -104.211
Base-Backbone interact. energy: -0.991
local terms energy: -136.059820
where:
bonds (distance) C4'-P energy: -29.109
bonds (distance) P-C4' energy: -27.123
flat angles C4'-P-C4' energy: -26.441
flat angles P-C4'-P energy: -20.721
tors. eta vs tors. theta energy: -32.666
Dist. restrs. and SS energy: 0.087 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -404.487753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.487753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.526098 (E_RNA)
where:
Base-Base interactions energy: -277.373
where: short stacking energy: -110.786
Base-Backbone interact. energy: -0.361
local terms energy: -126.791626
where:
bonds (distance) C4'-P energy: -23.175
bonds (distance) P-C4' energy: -29.472
flat angles C4'-P-C4' energy: -24.193
flat angles P-C4'-P energy: -20.343
tors. eta vs tors. theta energy: -29.609
Dist. restrs. and SS energy: 0.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -385.303625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.303625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.429160 (E_RNA)
where:
Base-Base interactions energy: -263.970
where: short stacking energy: -114.509
Base-Backbone interact. energy: -0.346
local terms energy: -121.113250
where:
bonds (distance) C4'-P energy: -21.435
bonds (distance) P-C4' energy: -22.375
flat angles C4'-P-C4' energy: -25.413
flat angles P-C4'-P energy: -16.114
tors. eta vs tors. theta energy: -35.776
Dist. restrs. and SS energy: 0.126 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -378.198450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.198450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.431770 (E_RNA)
where:
Base-Base interactions energy: -263.386
where: short stacking energy: -100.110
Base-Backbone interact. energy: 0.265
local terms energy: -115.310894
where:
bonds (distance) C4'-P energy: -31.864
bonds (distance) P-C4' energy: -19.743
flat angles C4'-P-C4' energy: -21.528
flat angles P-C4'-P energy: -14.658
tors. eta vs tors. theta energy: -27.519
Dist. restrs. and SS energy: 0.233 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -371.793839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.793839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.902903 (E_RNA)
where:
Base-Base interactions energy: -252.877
where: short stacking energy: -90.163
Base-Backbone interact. energy: 0.240
local terms energy: -119.264972
where:
bonds (distance) C4'-P energy: -22.974
bonds (distance) P-C4' energy: -22.702
flat angles C4'-P-C4' energy: -25.606
flat angles P-C4'-P energy: -19.790
tors. eta vs tors. theta energy: -28.193
Dist. restrs. and SS energy: 0.109 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -361.706451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.706451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.818300 (E_RNA)
where:
Base-Base interactions energy: -248.464
where: short stacking energy: -90.425
Base-Backbone interact. energy: -0.552
local terms energy: -112.801869
where:
bonds (distance) C4'-P energy: -25.351
bonds (distance) P-C4' energy: -22.164
flat angles C4'-P-C4' energy: -24.771
flat angles P-C4'-P energy: -16.863
tors. eta vs tors. theta energy: -23.652
Dist. restrs. and SS energy: 0.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -338.155986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.155986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.202573 (E_RNA)
where:
Base-Base interactions energy: -225.817
where: short stacking energy: -89.128
Base-Backbone interact. energy: -0.227
local terms energy: -112.158457
where:
bonds (distance) C4'-P energy: -24.903
bonds (distance) P-C4' energy: -30.136
flat angles C4'-P-C4' energy: -23.586
flat angles P-C4'-P energy: -10.753
tors. eta vs tors. theta energy: -22.780
Dist. restrs. and SS energy: 0.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -310.690376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.690376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.174109 (E_RNA)
where:
Base-Base interactions energy: -206.314
where: short stacking energy: -80.593
Base-Backbone interact. energy: -0.506
local terms energy: -104.353759
where:
bonds (distance) C4'-P energy: -25.326
bonds (distance) P-C4' energy: -26.245
flat angles C4'-P-C4' energy: -15.286
flat angles P-C4'-P energy: -19.256
tors. eta vs tors. theta energy: -18.240
Dist. restrs. and SS energy: 0.484 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -312.202287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.202287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.453006 (E_RNA)
where:
Base-Base interactions energy: -223.843
where: short stacking energy: -76.863
Base-Backbone interact. energy: 1.487
local terms energy: -90.096694
where:
bonds (distance) C4'-P energy: -19.245
bonds (distance) P-C4' energy: -19.347
flat angles C4'-P-C4' energy: -29.188
flat angles P-C4'-P energy: -11.978
tors. eta vs tors. theta energy: -10.339
Dist. restrs. and SS energy: 0.251 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -439.781440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.781440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.239105 (E_RNA)
where:
Base-Base interactions energy: -305.298
where: short stacking energy: -110.936
Base-Backbone interact. energy: -0.518
local terms energy: -134.422334
where:
bonds (distance) C4'-P energy: -28.315
bonds (distance) P-C4' energy: -24.911
flat angles C4'-P-C4' energy: -30.599
flat angles P-C4'-P energy: -18.155
tors. eta vs tors. theta energy: -32.442
Dist. restrs. and SS energy: 0.458 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -415.532449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.532449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.543094 (E_RNA)
where:
Base-Base interactions energy: -283.169
where: short stacking energy: -109.109
Base-Backbone interact. energy: 0.331
local terms energy: -132.705341
where:
bonds (distance) C4'-P energy: -22.590
bonds (distance) P-C4' energy: -31.119
flat angles C4'-P-C4' energy: -26.347
flat angles P-C4'-P energy: -21.299
tors. eta vs tors. theta energy: -31.350
Dist. restrs. and SS energy: 0.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -374.979734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.979734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.602101 (E_RNA)
where:
Base-Base interactions energy: -260.217
where: short stacking energy: -97.083
Base-Backbone interact. energy: -0.581
local terms energy: -114.804917
where:
bonds (distance) C4'-P energy: -27.761
bonds (distance) P-C4' energy: -21.206
flat angles C4'-P-C4' energy: -22.313
flat angles P-C4'-P energy: -16.009
tors. eta vs tors. theta energy: -27.516
Dist. restrs. and SS energy: 0.622 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -391.759253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.759253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.280030 (E_RNA)
where:
Base-Base interactions energy: -263.110
where: short stacking energy: -103.218
Base-Backbone interact. energy: -0.766
local terms energy: -128.403923
where:
bonds (distance) C4'-P energy: -29.654
bonds (distance) P-C4' energy: -23.764
flat angles C4'-P-C4' energy: -28.911
flat angles P-C4'-P energy: -18.558
tors. eta vs tors. theta energy: -27.517
Dist. restrs. and SS energy: 0.521 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -372.770811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.770811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.815945 (E_RNA)
where:
Base-Base interactions energy: -260.822
where: short stacking energy: -94.570
Base-Backbone interact. energy: -0.633
local terms energy: -111.361481
where:
bonds (distance) C4'-P energy: -21.144
bonds (distance) P-C4' energy: -22.923
flat angles C4'-P-C4' energy: -27.334
flat angles P-C4'-P energy: -15.460
tors. eta vs tors. theta energy: -24.501
Dist. restrs. and SS energy: 0.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -376.163234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.163234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.468165 (E_RNA)
where:
Base-Base interactions energy: -262.670
where: short stacking energy: -100.070
Base-Backbone interact. energy: -0.233
local terms energy: -113.565002
where:
bonds (distance) C4'-P energy: -17.982
bonds (distance) P-C4' energy: -24.791
flat angles C4'-P-C4' energy: -25.007
flat angles P-C4'-P energy: -20.584
tors. eta vs tors. theta energy: -25.202
Dist. restrs. and SS energy: 0.305 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -366.946985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.946985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.962681 (E_RNA)
where:
Base-Base interactions energy: -254.995
where: short stacking energy: -100.653
Base-Backbone interact. energy: -0.494
local terms energy: -112.473383
where:
bonds (distance) C4'-P energy: -17.197
bonds (distance) P-C4' energy: -29.266
flat angles C4'-P-C4' energy: -24.865
flat angles P-C4'-P energy: -15.149
tors. eta vs tors. theta energy: -25.996
Dist. restrs. and SS energy: 1.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -345.163598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.163598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.217843 (E_RNA)
where:
Base-Base interactions energy: -228.102
where: short stacking energy: -92.775
Base-Backbone interact. energy: 1.358
local terms energy: -118.473779
where:
bonds (distance) C4'-P energy: -18.371
bonds (distance) P-C4' energy: -31.053
flat angles C4'-P-C4' energy: -26.643
flat angles P-C4'-P energy: -19.925
tors. eta vs tors. theta energy: -22.481
Dist. restrs. and SS energy: 0.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -324.578401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.578401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.846840 (E_RNA)
where:
Base-Base interactions energy: -221.481
where: short stacking energy: -86.095
Base-Backbone interact. energy: -0.673
local terms energy: -102.692769
where:
bonds (distance) C4'-P energy: -27.264
bonds (distance) P-C4' energy: -22.273
flat angles C4'-P-C4' energy: -23.572
flat angles P-C4'-P energy: -11.157
tors. eta vs tors. theta energy: -18.427
Dist. restrs. and SS energy: 0.268 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -306.554585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.554585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.729171 (E_RNA)
where:
Base-Base interactions energy: -210.112
where: short stacking energy: -80.528
Base-Backbone interact. energy: -0.055
local terms energy: -96.562258
where:
bonds (distance) C4'-P energy: -25.680
bonds (distance) P-C4' energy: -18.931
flat angles C4'-P-C4' energy: -17.177
flat angles P-C4'-P energy: -14.133
tors. eta vs tors. theta energy: -20.642
Dist. restrs. and SS energy: 0.175 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -443.926235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.926235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.063482 (E_RNA)
where:
Base-Base interactions energy: -313.069
where: short stacking energy: -114.859
Base-Backbone interact. energy: -0.689
local terms energy: -130.305259
where:
bonds (distance) C4'-P energy: -26.069
bonds (distance) P-C4' energy: -31.676
flat angles C4'-P-C4' energy: -30.479
flat angles P-C4'-P energy: -14.437
tors. eta vs tors. theta energy: -27.644
Dist. restrs. and SS energy: 0.137 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -403.993235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.993235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.059654 (E_RNA)
where:
Base-Base interactions energy: -283.217
where: short stacking energy: -109.823
Base-Backbone interact. energy: 0.017
local terms energy: -120.860394
where:
bonds (distance) C4'-P energy: -23.281
bonds (distance) P-C4' energy: -22.718
flat angles C4'-P-C4' energy: -26.845
flat angles P-C4'-P energy: -16.023
tors. eta vs tors. theta energy: -31.994
Dist. restrs. and SS energy: 0.066 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -398.572051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.572051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.737998 (E_RNA)
where:
Base-Base interactions energy: -266.620
where: short stacking energy: -111.933
Base-Backbone interact. energy: 0.962
local terms energy: -133.080312
where:
bonds (distance) C4'-P energy: -29.545
bonds (distance) P-C4' energy: -25.220
flat angles C4'-P-C4' energy: -30.250
flat angles P-C4'-P energy: -19.560
tors. eta vs tors. theta energy: -28.506
Dist. restrs. and SS energy: 0.166 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -400.045019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.045019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.301852 (E_RNA)
where:
Base-Base interactions energy: -273.074
where: short stacking energy: -112.411
Base-Backbone interact. energy: -0.495
local terms energy: -126.732552
where:
bonds (distance) C4'-P energy: -29.188
bonds (distance) P-C4' energy: -27.077
flat angles C4'-P-C4' energy: -25.969
flat angles P-C4'-P energy: -13.510
tors. eta vs tors. theta energy: -30.988
Dist. restrs. and SS energy: 0.257 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -374.894837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.894837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.085495 (E_RNA)
where:
Base-Base interactions energy: -254.257
where: short stacking energy: -86.542
Base-Backbone interact. energy: -1.175
local terms energy: -119.652974
where:
bonds (distance) C4'-P energy: -25.955
bonds (distance) P-C4' energy: -29.823
flat angles C4'-P-C4' energy: -20.883
flat angles P-C4'-P energy: -14.238
tors. eta vs tors. theta energy: -28.755
Dist. restrs. and SS energy: 0.191 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -356.037399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.037399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.449231 (E_RNA)
where:
Base-Base interactions energy: -244.130
where: short stacking energy: -81.149
Base-Backbone interact. energy: -1.037
local terms energy: -111.281545
where:
bonds (distance) C4'-P energy: -29.223
bonds (distance) P-C4' energy: -27.113
flat angles C4'-P-C4' energy: -21.725
flat angles P-C4'-P energy: -20.170
tors. eta vs tors. theta energy: -13.051
Dist. restrs. and SS energy: 0.412 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -362.573185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.573185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.764568 (E_RNA)
where:
Base-Base interactions energy: -248.001
where: short stacking energy: -94.355
Base-Backbone interact. energy: -1.065
local terms energy: -113.698919
where:
bonds (distance) C4'-P energy: -24.189
bonds (distance) P-C4' energy: -21.924
flat angles C4'-P-C4' energy: -22.974
flat angles P-C4'-P energy: -15.335
tors. eta vs tors. theta energy: -29.277
Dist. restrs. and SS energy: 0.191 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -334.306895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.306895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.775902 (E_RNA)
where:
Base-Base interactions energy: -233.383
where: short stacking energy: -85.846
Base-Backbone interact. energy: -0.364
local terms energy: -101.029101
where:
bonds (distance) C4'-P energy: -19.292
bonds (distance) P-C4' energy: -19.438
flat angles C4'-P-C4' energy: -27.514
flat angles P-C4'-P energy: -16.909
tors. eta vs tors. theta energy: -17.877
Dist. restrs. and SS energy: 0.469 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -342.779585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.779585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.000362 (E_RNA)
where:
Base-Base interactions energy: -225.891
where: short stacking energy: -85.496
Base-Backbone interact. energy: -0.451
local terms energy: -116.658165
where:
bonds (distance) C4'-P energy: -22.708
bonds (distance) P-C4' energy: -29.201
flat angles C4'-P-C4' energy: -29.384
flat angles P-C4'-P energy: -17.004
tors. eta vs tors. theta energy: -18.361
Dist. restrs. and SS energy: 0.221 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -324.513005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.513005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.676816 (E_RNA)
where:
Base-Base interactions energy: -218.595
where: short stacking energy: -81.331
Base-Backbone interact. energy: 0.644
local terms energy: -106.725676
where:
bonds (distance) C4'-P energy: -18.533
bonds (distance) P-C4' energy: -29.368
flat angles C4'-P-C4' energy: -14.926
flat angles P-C4'-P energy: -20.301
tors. eta vs tors. theta energy: -23.597
Dist. restrs. and SS energy: 0.164 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -437.786686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.786686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.838616 (E_RNA)
where:
Base-Base interactions energy: -315.796
where: short stacking energy: -111.951
Base-Backbone interact. energy: -0.704
local terms energy: -121.338057
where:
bonds (distance) C4'-P energy: -23.669
bonds (distance) P-C4' energy: -23.902
flat angles C4'-P-C4' energy: -28.682
flat angles P-C4'-P energy: -11.284
tors. eta vs tors. theta energy: -33.801
Dist. restrs. and SS energy: 0.052 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -410.681977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.681977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.242498 (E_RNA)
where:
Base-Base interactions energy: -275.898
where: short stacking energy: -113.263
Base-Backbone interact. energy: -1.269
local terms energy: -134.075953
where:
bonds (distance) C4'-P energy: -29.629
bonds (distance) P-C4' energy: -25.483
flat angles C4'-P-C4' energy: -30.207
flat angles P-C4'-P energy: -16.524
tors. eta vs tors. theta energy: -32.232
Dist. restrs. and SS energy: 0.561 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -392.847556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.847556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.935718 (E_RNA)
where:
Base-Base interactions energy: -270.495
where: short stacking energy: -108.285
Base-Backbone interact. energy: -0.345
local terms energy: -122.096303
where:
bonds (distance) C4'-P energy: -27.528
bonds (distance) P-C4' energy: -17.938
flat angles C4'-P-C4' energy: -26.421
flat angles P-C4'-P energy: -18.393
tors. eta vs tors. theta energy: -31.815
Dist. restrs. and SS energy: 0.088 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -391.532126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.532126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.021955 (E_RNA)
where:
Base-Base interactions energy: -258.129
where: short stacking energy: -106.492
Base-Backbone interact. energy: -0.247
local terms energy: -133.645507
where:
bonds (distance) C4'-P energy: -26.843
bonds (distance) P-C4' energy: -27.864
flat angles C4'-P-C4' energy: -29.018
flat angles P-C4'-P energy: -18.136
tors. eta vs tors. theta energy: -31.784
Dist. restrs. and SS energy: 0.490 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -381.657539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.657539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.802905 (E_RNA)
where:
Base-Base interactions energy: -261.389
where: short stacking energy: -99.686
Base-Backbone interact. energy: 0.020
local terms energy: -120.434257
where:
bonds (distance) C4'-P energy: -17.414
bonds (distance) P-C4' energy: -31.831
flat angles C4'-P-C4' energy: -24.063
flat angles P-C4'-P energy: -20.306
tors. eta vs tors. theta energy: -26.820
Dist. restrs. and SS energy: 0.145 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -359.268988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.268988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.807071 (E_RNA)
where:
Base-Base interactions energy: -240.673
where: short stacking energy: -95.405
Base-Backbone interact. energy: -0.192
local terms energy: -118.941985
where:
bonds (distance) C4'-P energy: -23.970
bonds (distance) P-C4' energy: -27.999
flat angles C4'-P-C4' energy: -26.031
flat angles P-C4'-P energy: -14.310
tors. eta vs tors. theta energy: -26.632
Dist. restrs. and SS energy: 0.538 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -349.882188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.882188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.114563 (E_RNA)
where:
Base-Base interactions energy: -242.991
where: short stacking energy: -83.675
Base-Backbone interact. energy: -2.123
local terms energy: -105.000804
where:
bonds (distance) C4'-P energy: -17.775
bonds (distance) P-C4' energy: -26.678
flat angles C4'-P-C4' energy: -24.156
flat angles P-C4'-P energy: -9.394
tors. eta vs tors. theta energy: -26.998
Dist. restrs. and SS energy: 0.232 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -331.742173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.742173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.374851 (E_RNA)
where:
Base-Base interactions energy: -223.165
where: short stacking energy: -84.927
Base-Backbone interact. energy: -0.182
local terms energy: -109.027729
where:
bonds (distance) C4'-P energy: -26.936
bonds (distance) P-C4' energy: -20.274
flat angles C4'-P-C4' energy: -19.652
flat angles P-C4'-P energy: -20.100
tors. eta vs tors. theta energy: -22.066
Dist. restrs. and SS energy: 0.633 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -335.825683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.825683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.679118 (E_RNA)
where:
Base-Base interactions energy: -227.047
where: short stacking energy: -93.281
Base-Backbone interact. energy: -0.113
local terms energy: -109.518984
where:
bonds (distance) C4'-P energy: -22.398
bonds (distance) P-C4' energy: -27.121
flat angles C4'-P-C4' energy: -24.913
flat angles P-C4'-P energy: -11.569
tors. eta vs tors. theta energy: -23.517
Dist. restrs. and SS energy: 0.853 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -320.743339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.743339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.045447 (E_RNA)
where:
Base-Base interactions energy: -217.797
where: short stacking energy: -83.580
Base-Backbone interact. energy: -0.926
local terms energy: -102.322048
where:
bonds (distance) C4'-P energy: -23.961
bonds (distance) P-C4' energy: -28.491
flat angles C4'-P-C4' energy: -17.173
flat angles P-C4'-P energy: -9.506
tors. eta vs tors. theta energy: -23.191
Dist. restrs. and SS energy: 0.302 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -415.619642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.619642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.319384 (E_RNA)
where:
Base-Base interactions energy: -277.697
where: short stacking energy: -110.609
Base-Backbone interact. energy: -2.977
local terms energy: -135.644574
where:
bonds (distance) C4'-P energy: -25.621
bonds (distance) P-C4' energy: -29.233
flat angles C4'-P-C4' energy: -27.102
flat angles P-C4'-P energy: -23.703
tors. eta vs tors. theta energy: -29.986
Dist. restrs. and SS energy: 0.700 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -433.708889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.708889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.915224 (E_RNA)
where:
Base-Base interactions energy: -303.960
where: short stacking energy: -115.192
Base-Backbone interact. energy: -0.509
local terms energy: -129.446053
where:
bonds (distance) C4'-P energy: -29.020
bonds (distance) P-C4' energy: -24.935
flat angles C4'-P-C4' energy: -28.536
flat angles P-C4'-P energy: -17.395
tors. eta vs tors. theta energy: -29.561
Dist. restrs. and SS energy: 0.206 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -406.028120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.028120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.420067 (E_RNA)
where:
Base-Base interactions energy: -272.010
where: short stacking energy: -108.479
Base-Backbone interact. energy: 0.343
local terms energy: -134.753740
where:
bonds (distance) C4'-P energy: -27.347
bonds (distance) P-C4' energy: -30.250
flat angles C4'-P-C4' energy: -29.524
flat angles P-C4'-P energy: -19.540
tors. eta vs tors. theta energy: -28.093
Dist. restrs. and SS energy: 0.392 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -382.719374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.719374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.736485 (E_RNA)
where:
Base-Base interactions energy: -256.876
where: short stacking energy: -98.504
Base-Backbone interact. energy: -1.040
local terms energy: -124.820752
where:
bonds (distance) C4'-P energy: -23.944
bonds (distance) P-C4' energy: -29.781
flat angles C4'-P-C4' energy: -20.950
flat angles P-C4'-P energy: -15.578
tors. eta vs tors. theta energy: -34.567
Dist. restrs. and SS energy: 0.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -373.382357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.382357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.802962 (E_RNA)
where:
Base-Base interactions energy: -240.421
where: short stacking energy: -87.284
Base-Backbone interact. energy: -2.168
local terms energy: -131.214227
where:
bonds (distance) C4'-P energy: -25.169
bonds (distance) P-C4' energy: -33.927
flat angles C4'-P-C4' energy: -26.657
flat angles P-C4'-P energy: -20.857
tors. eta vs tors. theta energy: -24.604
Dist. restrs. and SS energy: 0.421 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -362.307163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.307163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.864315 (E_RNA)
where:
Base-Base interactions energy: -248.656
where: short stacking energy: -88.426
Base-Backbone interact. energy: -1.351
local terms energy: -112.857068
where:
bonds (distance) C4'-P energy: -26.230
bonds (distance) P-C4' energy: -14.953
flat angles C4'-P-C4' energy: -25.804
flat angles P-C4'-P energy: -17.578
tors. eta vs tors. theta energy: -28.292
Dist. restrs. and SS energy: 0.557 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -338.376478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.376478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.389391 (E_RNA)
where:
Base-Base interactions energy: -229.785
where: short stacking energy: -92.097
Base-Backbone interact. energy: -0.105
local terms energy: -108.499124
where:
bonds (distance) C4'-P energy: -22.490
bonds (distance) P-C4' energy: -27.544
flat angles C4'-P-C4' energy: -23.706
flat angles P-C4'-P energy: -10.532
tors. eta vs tors. theta energy: -24.228
Dist. restrs. and SS energy: 0.013 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -331.481583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.481583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.897538 (E_RNA)
where:
Base-Base interactions energy: -219.029
where: short stacking energy: -88.710
Base-Backbone interact. energy: 1.379
local terms energy: -114.247695
where:
bonds (distance) C4'-P energy: -20.923
bonds (distance) P-C4' energy: -22.190
flat angles C4'-P-C4' energy: -24.620
flat angles P-C4'-P energy: -21.899
tors. eta vs tors. theta energy: -24.616
Dist. restrs. and SS energy: 0.416 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -312.829417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.829417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.495393 (E_RNA)
where:
Base-Base interactions energy: -206.470
where: short stacking energy: -73.666
Base-Backbone interact. energy: -0.255
local terms energy: -106.770552
where:
bonds (distance) C4'-P energy: -21.660
bonds (distance) P-C4' energy: -24.328
flat angles C4'-P-C4' energy: -24.029
flat angles P-C4'-P energy: -15.396
tors. eta vs tors. theta energy: -21.356
Dist. restrs. and SS energy: 0.666 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -311.632783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.632783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.841618 (E_RNA)
where:
Base-Base interactions energy: -222.861
where: short stacking energy: -80.910
Base-Backbone interact. energy: -0.722
local terms energy: -88.258802
where:
bonds (distance) C4'-P energy: -17.613
bonds (distance) P-C4' energy: -18.856
flat angles C4'-P-C4' energy: -24.628
flat angles P-C4'-P energy: -15.409
tors. eta vs tors. theta energy: -11.754
Dist. restrs. and SS energy: 0.209 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -421.954856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.954856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.129905 (E_RNA)
where:
Base-Base interactions energy: -288.479
where: short stacking energy: -111.879
Base-Backbone interact. energy: -0.555
local terms energy: -133.096417
where:
bonds (distance) C4'-P energy: -25.654
bonds (distance) P-C4' energy: -25.951
flat angles C4'-P-C4' energy: -24.365
flat angles P-C4'-P energy: -23.014
tors. eta vs tors. theta energy: -34.112
Dist. restrs. and SS energy: 0.175 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -419.546973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.546973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.975994 (E_RNA)
where:
Base-Base interactions energy: -285.071
where: short stacking energy: -106.352
Base-Backbone interact. energy: -0.484
local terms energy: -134.420957
where:
bonds (distance) C4'-P energy: -32.493
bonds (distance) P-C4' energy: -26.418
flat angles C4'-P-C4' energy: -26.518
flat angles P-C4'-P energy: -20.558
tors. eta vs tors. theta energy: -28.435
Dist. restrs. and SS energy: 0.429 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -406.307221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.307221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.597935 (E_RNA)
where:
Base-Base interactions energy: -284.367
where: short stacking energy: -117.266
Base-Backbone interact. energy: -0.358
local terms energy: -121.873121
where:
bonds (distance) C4'-P energy: -23.232
bonds (distance) P-C4' energy: -29.798
flat angles C4'-P-C4' energy: -28.014
flat angles P-C4'-P energy: -11.884
tors. eta vs tors. theta energy: -28.945
Dist. restrs. and SS energy: 0.291 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -393.675217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.675217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.847217 (E_RNA)
where:
Base-Base interactions energy: -257.148
where: short stacking energy: -110.377
Base-Backbone interact. energy: -0.489
local terms energy: -136.210197
where:
bonds (distance) C4'-P energy: -25.725
bonds (distance) P-C4' energy: -30.630
flat angles C4'-P-C4' energy: -32.140
flat angles P-C4'-P energy: -16.534
tors. eta vs tors. theta energy: -31.183
Dist. restrs. and SS energy: 0.172 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -374.183293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.183293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.376219 (E_RNA)
where:
Base-Base interactions energy: -251.362
where: short stacking energy: -98.041
Base-Backbone interact. energy: 0.276
local terms energy: -123.289624
where:
bonds (distance) C4'-P energy: -26.911
bonds (distance) P-C4' energy: -21.950
flat angles C4'-P-C4' energy: -29.081
flat angles P-C4'-P energy: -14.810
tors. eta vs tors. theta energy: -30.538
Dist. restrs. and SS energy: 0.193 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -354.611719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.611719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.903333 (E_RNA)
where:
Base-Base interactions energy: -227.209
where: short stacking energy: -84.827
Base-Backbone interact. energy: -1.066
local terms energy: -126.628653
where:
bonds (distance) C4'-P energy: -28.406
bonds (distance) P-C4' energy: -26.121
flat angles C4'-P-C4' energy: -29.684
flat angles P-C4'-P energy: -19.274
tors. eta vs tors. theta energy: -23.145
Dist. restrs. and SS energy: 0.292 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -349.809496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.809496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.881298 (E_RNA)
where:
Base-Base interactions energy: -233.853
where: short stacking energy: -83.734
Base-Backbone interact. energy: -0.423
local terms energy: -115.605276
where:
bonds (distance) C4'-P energy: -26.455
bonds (distance) P-C4' energy: -23.835
flat angles C4'-P-C4' energy: -23.668
flat angles P-C4'-P energy: -17.509
tors. eta vs tors. theta energy: -24.139
Dist. restrs. and SS energy: 0.072 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -321.904132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.904132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.449384 (E_RNA)
where:
Base-Base interactions energy: -216.751
where: short stacking energy: -79.637
Base-Backbone interact. energy: -0.552
local terms energy: -105.145897
where:
bonds (distance) C4'-P energy: -28.110
bonds (distance) P-C4' energy: -22.319
flat angles C4'-P-C4' energy: -21.470
flat angles P-C4'-P energy: -6.802
tors. eta vs tors. theta energy: -26.445
Dist. restrs. and SS energy: 0.545 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -313.349979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.349979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.908620 (E_RNA)
where:
Base-Base interactions energy: -217.057
where: short stacking energy: -73.557
Base-Backbone interact. energy: -0.799
local terms energy: -96.052893
where:
bonds (distance) C4'-P energy: -20.764
bonds (distance) P-C4' energy: -15.379
flat angles C4'-P-C4' energy: -23.682
flat angles P-C4'-P energy: -16.346
tors. eta vs tors. theta energy: -19.882
Dist. restrs. and SS energy: 0.559 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -322.718861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.718861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.263700 (E_RNA)
where:
Base-Base interactions energy: -216.157
where: short stacking energy: -70.970
Base-Backbone interact. energy: -0.019
local terms energy: -107.088227
where:
bonds (distance) C4'-P energy: -22.846
bonds (distance) P-C4' energy: -26.831
flat angles C4'-P-C4' energy: -22.032
flat angles P-C4'-P energy: -17.957
tors. eta vs tors. theta energy: -17.421
Dist. restrs. and SS energy: 0.545 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -439.639610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.639610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.706769 (E_RNA)
where:
Base-Base interactions energy: -307.304
where: short stacking energy: -115.683
Base-Backbone interact. energy: -0.641
local terms energy: -131.762107
where:
bonds (distance) C4'-P energy: -27.348
bonds (distance) P-C4' energy: -28.335
flat angles C4'-P-C4' energy: -26.060
flat angles P-C4'-P energy: -17.011
tors. eta vs tors. theta energy: -33.008
Dist. restrs. and SS energy: 0.067 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -409.115491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.115491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.278569 (E_RNA)
where:
Base-Base interactions energy: -274.587
where: short stacking energy: -103.490
Base-Backbone interact. energy: -0.599
local terms energy: -134.092889
where:
bonds (distance) C4'-P energy: -20.508
bonds (distance) P-C4' energy: -26.416
flat angles C4'-P-C4' energy: -33.594
flat angles P-C4'-P energy: -24.376
tors. eta vs tors. theta energy: -29.199
Dist. restrs. and SS energy: 0.163 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -407.547085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.547085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.991977 (E_RNA)
where:
Base-Base interactions energy: -274.836
where: short stacking energy: -108.661
Base-Backbone interact. energy: -0.644
local terms energy: -132.512037
where:
bonds (distance) C4'-P energy: -24.511
bonds (distance) P-C4' energy: -31.380
flat angles C4'-P-C4' energy: -28.085
flat angles P-C4'-P energy: -15.491
tors. eta vs tors. theta energy: -33.044
Dist. restrs. and SS energy: 0.445 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -374.507670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.507670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.761829 (E_RNA)
where:
Base-Base interactions energy: -256.848
where: short stacking energy: -103.994
Base-Backbone interact. energy: -0.376
local terms energy: -117.538138
where:
bonds (distance) C4'-P energy: -26.618
bonds (distance) P-C4' energy: -23.219
flat angles C4'-P-C4' energy: -29.433
flat angles P-C4'-P energy: -8.816
tors. eta vs tors. theta energy: -29.452
Dist. restrs. and SS energy: 0.254 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -372.285545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.285545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.491353 (E_RNA)
where:
Base-Base interactions energy: -243.209
where: short stacking energy: -90.737
Base-Backbone interact. energy: 1.402
local terms energy: -130.684380
where:
bonds (distance) C4'-P energy: -28.110
bonds (distance) P-C4' energy: -27.447
flat angles C4'-P-C4' energy: -29.728
flat angles P-C4'-P energy: -21.127
tors. eta vs tors. theta energy: -24.273
Dist. restrs. and SS energy: 0.206 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -360.788864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.788864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.901191 (E_RNA)
where:
Base-Base interactions energy: -229.914
where: short stacking energy: -87.630
Base-Backbone interact. energy: -0.483
local terms energy: -130.503727
where:
bonds (distance) C4'-P energy: -28.731
bonds (distance) P-C4' energy: -29.200
flat angles C4'-P-C4' energy: -28.873
flat angles P-C4'-P energy: -16.932
tors. eta vs tors. theta energy: -26.768
Dist. restrs. and SS energy: 0.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -356.010693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.010693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.303195 (E_RNA)
where:
Base-Base interactions energy: -249.036
where: short stacking energy: -102.656
Base-Backbone interact. energy: 0.133
local terms energy: -107.399922
where:
bonds (distance) C4'-P energy: -20.538
bonds (distance) P-C4' energy: -22.141
flat angles C4'-P-C4' energy: -26.567
flat angles P-C4'-P energy: -13.649
tors. eta vs tors. theta energy: -24.505
Dist. restrs. and SS energy: 0.293 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -335.870585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.870585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.075940 (E_RNA)
where:
Base-Base interactions energy: -235.604
where: short stacking energy: -87.363
Base-Backbone interact. energy: 3.320
local terms energy: -103.792175
where:
bonds (distance) C4'-P energy: -21.591
bonds (distance) P-C4' energy: -16.924
flat angles C4'-P-C4' energy: -23.545
flat angles P-C4'-P energy: -17.281
tors. eta vs tors. theta energy: -24.450
Dist. restrs. and SS energy: 0.205 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -332.708933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.708933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.925793 (E_RNA)
where:
Base-Base interactions energy: -218.288
where: short stacking energy: -79.571
Base-Backbone interact. energy: -1.386
local terms energy: -113.251220
where:
bonds (distance) C4'-P energy: -28.487
bonds (distance) P-C4' energy: -24.306
flat angles C4'-P-C4' energy: -26.188
flat angles P-C4'-P energy: -16.773
tors. eta vs tors. theta energy: -17.498
Dist. restrs. and SS energy: 0.217 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -317.784804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.784804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.852501 (E_RNA)
where:
Base-Base interactions energy: -217.025
where: short stacking energy: -83.611
Base-Backbone interact. energy: 0.788
local terms energy: -101.614827
where:
bonds (distance) C4'-P energy: -11.493
bonds (distance) P-C4' energy: -25.299
flat angles C4'-P-C4' energy: -25.864
flat angles P-C4'-P energy: -15.320
tors. eta vs tors. theta energy: -23.639
Dist. restrs. and SS energy: 0.068 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -448.468283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.468283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.502745 (E_RNA)
where:
Base-Base interactions energy: -308.759
where: short stacking energy: -116.198
Base-Backbone interact. energy: -1.095
local terms energy: -138.648742
where:
bonds (distance) C4'-P energy: -28.169
bonds (distance) P-C4' energy: -28.732
flat angles C4'-P-C4' energy: -24.751
flat angles P-C4'-P energy: -23.062
tors. eta vs tors. theta energy: -33.935
Dist. restrs. and SS energy: 0.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -408.023042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.023042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.234856 (E_RNA)
where:
Base-Base interactions energy: -278.258
where: short stacking energy: -114.327
Base-Backbone interact. energy: -0.334
local terms energy: -129.642869
where:
bonds (distance) C4'-P energy: -25.368
bonds (distance) P-C4' energy: -27.210
flat angles C4'-P-C4' energy: -28.612
flat angles P-C4'-P energy: -17.259
tors. eta vs tors. theta energy: -31.193
Dist. restrs. and SS energy: 0.212 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -418.961625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.961625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.221575 (E_RNA)
where:
Base-Base interactions energy: -283.006
where: short stacking energy: -121.574
Base-Backbone interact. energy: -0.828
local terms energy: -135.387648
where:
bonds (distance) C4'-P energy: -26.103
bonds (distance) P-C4' energy: -28.377
flat angles C4'-P-C4' energy: -30.225
flat angles P-C4'-P energy: -17.778
tors. eta vs tors. theta energy: -32.905
Dist. restrs. and SS energy: 0.260 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -378.164921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.164921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.684406 (E_RNA)
where:
Base-Base interactions energy: -258.121
where: short stacking energy: -99.929
Base-Backbone interact. energy: -1.384
local terms energy: -119.179018
where:
bonds (distance) C4'-P energy: -20.742
bonds (distance) P-C4' energy: -27.983
flat angles C4'-P-C4' energy: -26.002
flat angles P-C4'-P energy: -11.861
tors. eta vs tors. theta energy: -32.592
Dist. restrs. and SS energy: 0.519 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -365.681210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.681210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.810838 (E_RNA)
where:
Base-Base interactions energy: -245.845
where: short stacking energy: -99.789
Base-Backbone interact. energy: -0.109
local terms energy: -119.857377
where:
bonds (distance) C4'-P energy: -27.505
bonds (distance) P-C4' energy: -29.510
flat angles C4'-P-C4' energy: -25.553
flat angles P-C4'-P energy: -11.411
tors. eta vs tors. theta energy: -25.878
Dist. restrs. and SS energy: 0.130 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -354.538667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.538667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.603165 (E_RNA)
where:
Base-Base interactions energy: -234.315
where: short stacking energy: -86.910
Base-Backbone interact. energy: -0.544
local terms energy: -119.743631
where:
bonds (distance) C4'-P energy: -22.942
bonds (distance) P-C4' energy: -26.468
flat angles C4'-P-C4' energy: -28.460
flat angles P-C4'-P energy: -19.627
tors. eta vs tors. theta energy: -22.246
Dist. restrs. and SS energy: 0.064 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -348.978204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.978204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.638900 (E_RNA)
where:
Base-Base interactions energy: -234.672
where: short stacking energy: -78.770
Base-Backbone interact. energy: -1.593
local terms energy: -113.374293
where:
bonds (distance) C4'-P energy: -22.776
bonds (distance) P-C4' energy: -20.870
flat angles C4'-P-C4' energy: -25.152
flat angles P-C4'-P energy: -18.664
tors. eta vs tors. theta energy: -25.912
Dist. restrs. and SS energy: 0.661 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -365.140424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.140424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.473527 (E_RNA)
where:
Base-Base interactions energy: -250.635
where: short stacking energy: -101.774
Base-Backbone interact. energy: -0.887
local terms energy: -113.951902
where:
bonds (distance) C4'-P energy: -26.261
bonds (distance) P-C4' energy: -18.759
flat angles C4'-P-C4' energy: -26.835
flat angles P-C4'-P energy: -13.002
tors. eta vs tors. theta energy: -29.095
Dist. restrs. and SS energy: 0.333 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -329.407120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.407120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.758242 (E_RNA)
where:
Base-Base interactions energy: -221.214
where: short stacking energy: -91.575
Base-Backbone interact. energy: -0.579
local terms energy: -107.966184
where:
bonds (distance) C4'-P energy: -24.789
bonds (distance) P-C4' energy: -22.103
flat angles C4'-P-C4' energy: -19.323
flat angles P-C4'-P energy: -16.664
tors. eta vs tors. theta energy: -25.087
Dist. restrs. and SS energy: 0.351 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -301.629764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.629764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.288150 (E_RNA)
where:
Base-Base interactions energy: -201.320
where: short stacking energy: -72.637
Base-Backbone interact. energy: -0.899
local terms energy: -100.069111
where:
bonds (distance) C4'-P energy: -18.930
bonds (distance) P-C4' energy: -24.413
flat angles C4'-P-C4' energy: -25.067
flat angles P-C4'-P energy: -10.687
tors. eta vs tors. theta energy: -20.972
Dist. restrs. and SS energy: 0.658 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -435.038327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.038327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.254013 (E_RNA)
where:
Base-Base interactions energy: -307.994
where: short stacking energy: -119.399
Base-Backbone interact. energy: -0.433
local terms energy: -126.826747
where:
bonds (distance) C4'-P energy: -25.477
bonds (distance) P-C4' energy: -21.787
flat angles C4'-P-C4' energy: -29.830
flat angles P-C4'-P energy: -19.209
tors. eta vs tors. theta energy: -30.523
Dist. restrs. and SS energy: 0.216 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -418.699541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.699541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.883223 (E_RNA)
where:
Base-Base interactions energy: -294.573
where: short stacking energy: -119.273
Base-Backbone interact. energy: -0.430
local terms energy: -123.879821
where:
bonds (distance) C4'-P energy: -23.675
bonds (distance) P-C4' energy: -25.414
flat angles C4'-P-C4' energy: -28.341
flat angles P-C4'-P energy: -18.250
tors. eta vs tors. theta energy: -28.200
Dist. restrs. and SS energy: 0.184 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -420.140859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.140859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.794970 (E_RNA)
where:
Base-Base interactions energy: -281.932
where: short stacking energy: -119.087
Base-Backbone interact. energy: -0.795
local terms energy: -138.067054
where:
bonds (distance) C4'-P energy: -30.009
bonds (distance) P-C4' energy: -31.012
flat angles C4'-P-C4' energy: -26.616
flat angles P-C4'-P energy: -17.374
tors. eta vs tors. theta energy: -33.057
Dist. restrs. and SS energy: 0.654 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -384.958318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.958318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.130187 (E_RNA)
where:
Base-Base interactions energy: -259.525
where: short stacking energy: -98.043
Base-Backbone interact. energy: -1.088
local terms energy: -124.516306
where:
bonds (distance) C4'-P energy: -23.416
bonds (distance) P-C4' energy: -25.997
flat angles C4'-P-C4' energy: -28.681
flat angles P-C4'-P energy: -16.330
tors. eta vs tors. theta energy: -30.093
Dist. restrs. and SS energy: 0.172 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -363.143840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.143840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.556805 (E_RNA)
where:
Base-Base interactions energy: -239.910
where: short stacking energy: -105.203
Base-Backbone interact. energy: -0.532
local terms energy: -123.115035
where:
bonds (distance) C4'-P energy: -27.515
bonds (distance) P-C4' energy: -24.576
flat angles C4'-P-C4' energy: -25.469
flat angles P-C4'-P energy: -18.419
tors. eta vs tors. theta energy: -27.136
Dist. restrs. and SS energy: 0.413 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -353.288664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.288664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.377743 (E_RNA)
where:
Base-Base interactions energy: -235.539
where: short stacking energy: -93.958
Base-Backbone interact. energy: -1.312
local terms energy: -116.526832
where:
bonds (distance) C4'-P energy: -30.038
bonds (distance) P-C4' energy: -24.795
flat angles C4'-P-C4' energy: -22.162
flat angles P-C4'-P energy: -13.899
tors. eta vs tors. theta energy: -25.632
Dist. restrs. and SS energy: 0.089 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -352.046288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.046288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.721553 (E_RNA)
where:
Base-Base interactions energy: -235.876
where: short stacking energy: -93.045
Base-Backbone interact. energy: -0.186
local terms energy: -116.659377
where:
bonds (distance) C4'-P energy: -20.719
bonds (distance) P-C4' energy: -27.067
flat angles C4'-P-C4' energy: -29.239
flat angles P-C4'-P energy: -12.924
tors. eta vs tors. theta energy: -26.711
Dist. restrs. and SS energy: 0.675 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -366.381984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.381984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.601640 (E_RNA)
where:
Base-Base interactions energy: -244.651
where: short stacking energy: -92.773
Base-Backbone interact. energy: -1.535
local terms energy: -120.415556
where:
bonds (distance) C4'-P energy: -22.470
bonds (distance) P-C4' energy: -26.726
flat angles C4'-P-C4' energy: -24.909
flat angles P-C4'-P energy: -17.041
tors. eta vs tors. theta energy: -29.269
Dist. restrs. and SS energy: 0.220 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -311.457244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.457244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.432479 (E_RNA)
where:
Base-Base interactions energy: -210.256
where: short stacking energy: -79.529
Base-Backbone interact. energy: 0.830
local terms energy: -103.006267
where:
bonds (distance) C4'-P energy: -23.312
bonds (distance) P-C4' energy: -23.809
flat angles C4'-P-C4' energy: -22.850
flat angles P-C4'-P energy: -14.263
tors. eta vs tors. theta energy: -18.771
Dist. restrs. and SS energy: 0.975 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -314.820265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.820265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.869059 (E_RNA)
where:
Base-Base interactions energy: -235.142
where: short stacking energy: -89.666
Base-Backbone interact. energy: 0.127
local terms energy: -79.854493
where:
bonds (distance) C4'-P energy: -11.831
bonds (distance) P-C4' energy: -19.856
flat angles C4'-P-C4' energy: -19.240
flat angles P-C4'-P energy: -6.349
tors. eta vs tors. theta energy: -22.579
Dist. restrs. and SS energy: 0.049 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -441.837704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.837704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.033428 (E_RNA)
where:
Base-Base interactions energy: -312.026
where: short stacking energy: -111.540
Base-Backbone interact. energy: -0.595
local terms energy: -129.411946
where:
bonds (distance) C4'-P energy: -25.637
bonds (distance) P-C4' energy: -24.752
flat angles C4'-P-C4' energy: -28.890
flat angles P-C4'-P energy: -17.839
tors. eta vs tors. theta energy: -32.295
Dist. restrs. and SS energy: 0.196 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -405.472467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.472467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.598977 (E_RNA)
where:
Base-Base interactions energy: -277.960
where: short stacking energy: -109.792
Base-Backbone interact. energy: -0.121
local terms energy: -127.517606
where:
bonds (distance) C4'-P energy: -25.674
bonds (distance) P-C4' energy: -27.498
flat angles C4'-P-C4' energy: -26.427
flat angles P-C4'-P energy: -16.092
tors. eta vs tors. theta energy: -31.827
Dist. restrs. and SS energy: 0.127 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -400.540608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.540608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.458498 (E_RNA)
where:
Base-Base interactions energy: -268.377
where: short stacking energy: -113.298
Base-Backbone interact. energy: 0.467
local terms energy: -133.548384
where:
bonds (distance) C4'-P energy: -30.441
bonds (distance) P-C4' energy: -28.581
flat angles C4'-P-C4' energy: -30.262
flat angles P-C4'-P energy: -12.810
tors. eta vs tors. theta energy: -31.454
Dist. restrs. and SS energy: 0.918 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -377.259369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.259369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.074159 (E_RNA)
where:
Base-Base interactions energy: -252.297
where: short stacking energy: -106.410
Base-Backbone interact. energy: 1.903
local terms energy: -127.681003
where:
bonds (distance) C4'-P energy: -26.034
bonds (distance) P-C4' energy: -25.447
flat angles C4'-P-C4' energy: -26.670
flat angles P-C4'-P energy: -21.616
tors. eta vs tors. theta energy: -27.914
Dist. restrs. and SS energy: 0.815 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -395.710621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.710621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.467270 (E_RNA)
where:
Base-Base interactions energy: -262.891
where: short stacking energy: -116.817
Base-Backbone interact. energy: -0.109
local terms energy: -133.467348
where:
bonds (distance) C4'-P energy: -26.668
bonds (distance) P-C4' energy: -28.663
flat angles C4'-P-C4' energy: -27.370
flat angles P-C4'-P energy: -18.728
tors. eta vs tors. theta energy: -32.039
Dist. restrs. and SS energy: 0.757 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -364.703767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.703767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.465391 (E_RNA)
where:
Base-Base interactions energy: -250.994
where: short stacking energy: -105.478
Base-Backbone interact. energy: 0.137
local terms energy: -114.607680
where:
bonds (distance) C4'-P energy: -22.279
bonds (distance) P-C4' energy: -22.751
flat angles C4'-P-C4' energy: -27.262
flat angles P-C4'-P energy: -17.910
tors. eta vs tors. theta energy: -24.405
Dist. restrs. and SS energy: 0.762 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -346.194002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.194002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.394543 (E_RNA)
where:
Base-Base interactions energy: -240.019
where: short stacking energy: -88.942
Base-Backbone interact. energy: -0.282
local terms energy: -106.093248
where:
bonds (distance) C4'-P energy: -18.513
bonds (distance) P-C4' energy: -20.036
flat angles C4'-P-C4' energy: -27.500
flat angles P-C4'-P energy: -19.582
tors. eta vs tors. theta energy: -20.461
Dist. restrs. and SS energy: 0.201 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -365.740806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.740806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.850053 (E_RNA)
where:
Base-Base interactions energy: -257.362
where: short stacking energy: -104.796
Base-Backbone interact. energy: -0.546
local terms energy: -107.941969
where:
bonds (distance) C4'-P energy: -17.242
bonds (distance) P-C4' energy: -19.412
flat angles C4'-P-C4' energy: -27.269
flat angles P-C4'-P energy: -17.016
tors. eta vs tors. theta energy: -27.002
Dist. restrs. and SS energy: 0.109 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -313.284694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.284694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.594506 (E_RNA)
where:
Base-Base interactions energy: -222.564
where: short stacking energy: -84.575
Base-Backbone interact. energy: -1.750
local terms energy: -89.280800
where:
bonds (distance) C4'-P energy: -14.413
bonds (distance) P-C4' energy: -19.747
flat angles C4'-P-C4' energy: -22.093
flat angles P-C4'-P energy: -17.872
tors. eta vs tors. theta energy: -15.156
Dist. restrs. and SS energy: 0.310 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -299.983346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.983346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.602819 (E_RNA)
where:
Base-Base interactions energy: -204.872
where: short stacking energy: -84.455
Base-Backbone interact. energy: -0.230
local terms energy: -99.500508
where:
bonds (distance) C4'-P energy: -22.334
bonds (distance) P-C4' energy: -19.600
flat angles C4'-P-C4' energy: -12.505
flat angles P-C4'-P energy: -17.147
tors. eta vs tors. theta energy: -27.915
Dist. restrs. and SS energy: 4.619 (S_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: 396
Temperature: 0.900000
Total energy: -443.444383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.444383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.866060 (E_RNA)
where:
Base-Base interactions energy: -315.512
where: short stacking energy: -117.233
Base-Backbone interact. energy: -0.720
local terms energy: -127.634351
where:
bonds (distance) C4'-P energy: -23.773
bonds (distance) P-C4' energy: -27.622
flat angles C4'-P-C4' energy: -27.180
flat angles P-C4'-P energy: -12.089
tors. eta vs tors. theta energy: -36.971
Dist. restrs. and SS energy: 0.422 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -411.164751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.164751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.369956 (E_RNA)
where:
Base-Base interactions energy: -282.526
where: short stacking energy: -108.166
Base-Backbone interact. energy: 2.139
local terms energy: -130.982105
where:
bonds (distance) C4'-P energy: -25.736
bonds (distance) P-C4' energy: -26.417
flat angles C4'-P-C4' energy: -29.058
flat angles P-C4'-P energy: -17.124
tors. eta vs tors. theta energy: -32.647
Dist. restrs. and SS energy: 0.205 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -399.069495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.069495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.463333 (E_RNA)
where:
Base-Base interactions energy: -274.576
where: short stacking energy: -116.778
Base-Backbone interact. energy: -0.745
local terms energy: -124.141588
where:
bonds (distance) C4'-P energy: -26.305
bonds (distance) P-C4' energy: -22.069
flat angles C4'-P-C4' energy: -28.439
flat angles P-C4'-P energy: -17.831
tors. eta vs tors. theta energy: -29.499
Dist. restrs. and SS energy: 0.394 (S_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: 396
Temperature: 1.050000
Total energy: -374.789613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.789613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.883761 (E_RNA)
where:
Base-Base interactions energy: -252.165
where: short stacking energy: -101.185
Base-Backbone interact. energy: 0.065
local terms energy: -122.783471
where:
bonds (distance) C4'-P energy: -23.388
bonds (distance) P-C4' energy: -29.389
flat angles C4'-P-C4' energy: -27.737
flat angles P-C4'-P energy: -10.650
tors. eta vs tors. theta energy: -31.621
Dist. restrs. and SS energy: 0.094 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -365.350806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.350806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.734335 (E_RNA)
where:
Base-Base interactions energy: -245.717
where: short stacking energy: -99.129
Base-Backbone interact. energy: -0.414
local terms energy: -119.603037
where:
bonds (distance) C4'-P energy: -24.118
bonds (distance) P-C4' energy: -30.559
flat angles C4'-P-C4' energy: -23.932
flat angles P-C4'-P energy: -15.375
tors. eta vs tors. theta energy: -25.619
Dist. restrs. and SS energy: 0.384 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -373.646018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.646018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.706938 (E_RNA)
where:
Base-Base interactions energy: -250.816
where: short stacking energy: -106.354
Base-Backbone interact. energy: -0.407
local terms energy: -122.483887
where:
bonds (distance) C4'-P energy: -25.004
bonds (distance) P-C4' energy: -24.653
flat angles C4'-P-C4' energy: -26.706
flat angles P-C4'-P energy: -17.151
tors. eta vs tors. theta energy: -28.971
Dist. restrs. and SS energy: 0.061 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -344.489334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.489334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.758892 (E_RNA)
where:
Base-Base interactions energy: -224.910
where: short stacking energy: -89.510
Base-Backbone interact. energy: -1.282
local terms energy: -118.567375
where:
bonds (distance) C4'-P energy: -26.335
bonds (distance) P-C4' energy: -25.515
flat angles C4'-P-C4' energy: -21.907
flat angles P-C4'-P energy: -17.052
tors. eta vs tors. theta energy: -27.758
Dist. restrs. and SS energy: 0.270 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -350.945137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.945137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.971078 (E_RNA)
where:
Base-Base interactions energy: -238.475
where: short stacking energy: -105.636
Base-Backbone interact. energy: 2.494
local terms energy: -114.990011
where:
bonds (distance) C4'-P energy: -19.782
bonds (distance) P-C4' energy: -24.775
flat angles C4'-P-C4' energy: -26.728
flat angles P-C4'-P energy: -15.044
tors. eta vs tors. theta energy: -28.661
Dist. restrs. and SS energy: 0.026 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -320.735452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.735452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.995342 (E_RNA)
where:
Base-Base interactions energy: -210.573
where: short stacking energy: -78.220
Base-Backbone interact. energy: -1.153
local terms energy: -109.269194
where:
bonds (distance) C4'-P energy: -18.925
bonds (distance) P-C4' energy: -27.985
flat angles C4'-P-C4' energy: -26.530
flat angles P-C4'-P energy: -20.473
tors. eta vs tors. theta energy: -15.356
Dist. restrs. and SS energy: 0.260 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -317.928946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.928946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.870307 (E_RNA)
where:
Base-Base interactions energy: -219.832
where: short stacking energy: -84.848
Base-Backbone interact. energy: -0.732
local terms energy: -103.306674
where:
bonds (distance) C4'-P energy: -22.963
bonds (distance) P-C4' energy: -21.437
flat angles C4'-P-C4' energy: -21.560
flat angles P-C4'-P energy: -16.394
tors. eta vs tors. theta energy: -20.952
Dist. restrs. and SS energy: 5.941 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -445.835965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.835965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.423537 (E_RNA)
where:
Base-Base interactions energy: -317.930
where: short stacking energy: -127.336
Base-Backbone interact. energy: -1.460
local terms energy: -127.033197
where:
bonds (distance) C4'-P energy: -21.533
bonds (distance) P-C4' energy: -32.525
flat angles C4'-P-C4' energy: -20.785
flat angles P-C4'-P energy: -18.867
tors. eta vs tors. theta energy: -33.322
Dist. restrs. and SS energy: 0.588 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -396.964072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.964072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.611172 (E_RNA)
where:
Base-Base interactions energy: -270.366
where: short stacking energy: -96.364
Base-Backbone interact. energy: -1.148
local terms energy: -126.097608
where:
bonds (distance) C4'-P energy: -28.912
bonds (distance) P-C4' energy: -32.133
flat angles C4'-P-C4' energy: -27.011
flat angles P-C4'-P energy: -14.187
tors. eta vs tors. theta energy: -23.854
Dist. restrs. and SS energy: 0.647 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -396.801874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.801874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.942851 (E_RNA)
where:
Base-Base interactions energy: -286.145
where: short stacking energy: -104.059
Base-Backbone interact. energy: 0.360
local terms energy: -111.158036
where:
bonds (distance) C4'-P energy: -20.427
bonds (distance) P-C4' energy: -23.705
flat angles C4'-P-C4' energy: -21.664
flat angles P-C4'-P energy: -14.457
tors. eta vs tors. theta energy: -30.906
Dist. restrs. and SS energy: 0.141 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -384.865468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.865468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.017845 (E_RNA)
where:
Base-Base interactions energy: -251.708
where: short stacking energy: -100.757
Base-Backbone interact. energy: -0.387
local terms energy: -132.922840
where:
bonds (distance) C4'-P energy: -30.190
bonds (distance) P-C4' energy: -26.076
flat angles C4'-P-C4' energy: -26.822
flat angles P-C4'-P energy: -22.930
tors. eta vs tors. theta energy: -26.904
Dist. restrs. and SS energy: 0.152 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -365.282861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.282861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.576395 (E_RNA)
where:
Base-Base interactions energy: -252.950
where: short stacking energy: -95.291
Base-Backbone interact. energy: -0.322
local terms energy: -112.304114
where:
bonds (distance) C4'-P energy: -19.014
bonds (distance) P-C4' energy: -25.596
flat angles C4'-P-C4' energy: -22.751
flat angles P-C4'-P energy: -16.631
tors. eta vs tors. theta energy: -28.311
Dist. restrs. and SS energy: 0.294 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -369.848693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.848693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.983037 (E_RNA)
where:
Base-Base interactions energy: -239.671
where: short stacking energy: -103.380
Base-Backbone interact. energy: 1.631
local terms energy: -131.943250
where:
bonds (distance) C4'-P energy: -18.332
bonds (distance) P-C4' energy: -25.167
flat angles C4'-P-C4' energy: -32.084
flat angles P-C4'-P energy: -22.487
tors. eta vs tors. theta energy: -33.873
Dist. restrs. and SS energy: 0.134 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -360.143261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.143261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.278835 (E_RNA)
where:
Base-Base interactions energy: -250.779
where: short stacking energy: -90.615
Base-Backbone interact. energy: 2.269
local terms energy: -111.768605
where:
bonds (distance) C4'-P energy: -22.167
bonds (distance) P-C4' energy: -22.008
flat angles C4'-P-C4' energy: -21.266
flat angles P-C4'-P energy: -17.550
tors. eta vs tors. theta energy: -28.779
Dist. restrs. and SS energy: 0.136 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -361.791062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.791062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.021298 (E_RNA)
where:
Base-Base interactions energy: -249.817
where: short stacking energy: -99.824
Base-Backbone interact. energy: 2.152
local terms energy: -114.356765
where:
bonds (distance) C4'-P energy: -26.644
bonds (distance) P-C4' energy: -20.254
flat angles C4'-P-C4' energy: -27.677
flat angles P-C4'-P energy: -13.815
tors. eta vs tors. theta energy: -25.967
Dist. restrs. and SS energy: 0.230 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -324.030216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.030216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.176201 (E_RNA)
where:
Base-Base interactions energy: -222.140
where: short stacking energy: -86.145
Base-Backbone interact. energy: -0.628
local terms energy: -101.408070
where:
bonds (distance) C4'-P energy: -25.267
bonds (distance) P-C4' energy: -17.152
flat angles C4'-P-C4' energy: -22.155
flat angles P-C4'-P energy: -16.635
tors. eta vs tors. theta energy: -20.199
Dist. restrs. and SS energy: 0.146 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -330.350737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.350737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.064068 (E_RNA)
where:
Base-Base interactions energy: -213.346
where: short stacking energy: -86.985
Base-Backbone interact. energy: -0.854
local terms energy: -116.863604
where:
bonds (distance) C4'-P energy: -31.215
bonds (distance) P-C4' energy: -17.529
flat angles C4'-P-C4' energy: -28.411
flat angles P-C4'-P energy: -17.768
tors. eta vs tors. theta energy: -21.941
Dist. restrs. and SS energy: 0.713 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -418.662111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.662111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.778203 (E_RNA)
where:
Base-Base interactions energy: -299.721
where: short stacking energy: -100.095
Base-Backbone interact. energy: -1.330
local terms energy: -117.727478
where:
bonds (distance) C4'-P energy: -24.615
bonds (distance) P-C4' energy: -22.936
flat angles C4'-P-C4' energy: -23.674
flat angles P-C4'-P energy: -18.719
tors. eta vs tors. theta energy: -27.783
Dist. restrs. and SS energy: 0.116 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -436.275750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.275750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.604444 (E_RNA)
where:
Base-Base interactions energy: -297.957
where: short stacking energy: -114.893
Base-Backbone interact. energy: -0.766
local terms energy: -137.881434
where:
bonds (distance) C4'-P energy: -31.361
bonds (distance) P-C4' energy: -27.205
flat angles C4'-P-C4' energy: -25.791
flat angles P-C4'-P energy: -18.476
tors. eta vs tors. theta energy: -35.048
Dist. restrs. and SS energy: 0.329 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -403.980977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.980977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.083750 (E_RNA)
where:
Base-Base interactions energy: -284.926
where: short stacking energy: -101.754
Base-Backbone interact. energy: -0.506
local terms energy: -118.652402
where:
bonds (distance) C4'-P energy: -23.594
bonds (distance) P-C4' energy: -24.152
flat angles C4'-P-C4' energy: -27.798
flat angles P-C4'-P energy: -13.562
tors. eta vs tors. theta energy: -29.545
Dist. restrs. and SS energy: 0.103 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -377.408415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.408415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.926761 (E_RNA)
where:
Base-Base interactions energy: -254.481
where: short stacking energy: -99.222
Base-Backbone interact. energy: -0.481
local terms energy: -122.965111
where:
bonds (distance) C4'-P energy: -23.137
bonds (distance) P-C4' energy: -23.914
flat angles C4'-P-C4' energy: -21.807
flat angles P-C4'-P energy: -23.000
tors. eta vs tors. theta energy: -31.107
Dist. restrs. and SS energy: 0.518 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -374.373141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.373141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.437728 (E_RNA)
where:
Base-Base interactions energy: -255.879
where: short stacking energy: -109.507
Base-Backbone interact. energy: -0.045
local terms energy: -118.513829
where:
bonds (distance) C4'-P energy: -18.281
bonds (distance) P-C4' energy: -29.546
flat angles C4'-P-C4' energy: -25.630
flat angles P-C4'-P energy: -15.260
tors. eta vs tors. theta energy: -29.797
Dist. restrs. and SS energy: 0.065 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -354.352987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.352987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.493344 (E_RNA)
where:
Base-Base interactions energy: -236.836
where: short stacking energy: -93.625
Base-Backbone interact. energy: 0.690
local terms energy: -118.347006
where:
bonds (distance) C4'-P energy: -21.146
bonds (distance) P-C4' energy: -23.714
flat angles C4'-P-C4' energy: -30.542
flat angles P-C4'-P energy: -18.705
tors. eta vs tors. theta energy: -24.241
Dist. restrs. and SS energy: 0.140 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -365.180295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.180295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.209381 (E_RNA)
where:
Base-Base interactions energy: -248.988
where: short stacking energy: -97.636
Base-Backbone interact. energy: -0.340
local terms energy: -115.881081
where:
bonds (distance) C4'-P energy: -23.345
bonds (distance) P-C4' energy: -23.888
flat angles C4'-P-C4' energy: -24.175
flat angles P-C4'-P energy: -13.973
tors. eta vs tors. theta energy: -30.500
Dist. restrs. and SS energy: 0.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -353.120627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.120627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.450385 (E_RNA)
where:
Base-Base interactions energy: -239.744
where: short stacking energy: -87.047
Base-Backbone interact. energy: -0.854
local terms energy: -112.852529
where:
bonds (distance) C4'-P energy: -23.620
bonds (distance) P-C4' energy: -23.602
flat angles C4'-P-C4' energy: -26.995
flat angles P-C4'-P energy: -17.799
tors. eta vs tors. theta energy: -20.836
Dist. restrs. and SS energy: 0.330 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -328.125422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.125422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.475536 (E_RNA)
where:
Base-Base interactions energy: -216.156
where: short stacking energy: -87.391
Base-Backbone interact. energy: -0.319
local terms energy: -112.001289
where:
bonds (distance) C4'-P energy: -21.516
bonds (distance) P-C4' energy: -22.785
flat angles C4'-P-C4' energy: -27.388
flat angles P-C4'-P energy: -11.206
tors. eta vs tors. theta energy: -29.106
Dist. restrs. and SS energy: 0.350 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -313.890445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.890445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.129972 (E_RNA)
where:
Base-Base interactions energy: -221.608
where: short stacking energy: -79.414
Base-Backbone interact. energy: 5.822
local terms energy: -98.343481
where:
bonds (distance) C4'-P energy: -21.997
bonds (distance) P-C4' energy: -22.714
flat angles C4'-P-C4' energy: -26.624
flat angles P-C4'-P energy: -6.529
tors. eta vs tors. theta energy: -20.480
Dist. restrs. and SS energy: 0.240 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -425.377075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.377075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.609739 (E_RNA)
where:
Base-Base interactions energy: -287.716
where: short stacking energy: -118.253
Base-Backbone interact. energy: -0.858
local terms energy: -137.035372
where:
bonds (distance) C4'-P energy: -26.843
bonds (distance) P-C4' energy: -29.348
flat angles C4'-P-C4' energy: -26.980
flat angles P-C4'-P energy: -18.985
tors. eta vs tors. theta energy: -34.880
Dist. restrs. and SS energy: 0.233 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -430.856447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.856447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.032562 (E_RNA)
where:
Base-Base interactions energy: -296.273
where: short stacking energy: -107.142
Base-Backbone interact. energy: -0.181
local terms energy: -134.578281
where:
bonds (distance) C4'-P energy: -28.353
bonds (distance) P-C4' energy: -30.288
flat angles C4'-P-C4' energy: -27.417
flat angles P-C4'-P energy: -18.715
tors. eta vs tors. theta energy: -29.805
Dist. restrs. and SS energy: 0.176 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -397.744904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.744904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.046293 (E_RNA)
where:
Base-Base interactions energy: -266.540
where: short stacking energy: -108.388
Base-Backbone interact. energy: -0.082
local terms energy: -131.424608
where:
bonds (distance) C4'-P energy: -29.743
bonds (distance) P-C4' energy: -26.407
flat angles C4'-P-C4' energy: -25.708
flat angles P-C4'-P energy: -21.142
tors. eta vs tors. theta energy: -28.425
Dist. restrs. and SS energy: 0.301 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -371.016341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.016341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.241222 (E_RNA)
where:
Base-Base interactions energy: -258.222
where: short stacking energy: -102.671
Base-Backbone interact. energy: -0.130
local terms energy: -112.888840
where:
bonds (distance) C4'-P energy: -19.448
bonds (distance) P-C4' energy: -25.780
flat angles C4'-P-C4' energy: -27.887
flat angles P-C4'-P energy: -12.807
tors. eta vs tors. theta energy: -26.966
Dist. restrs. and SS energy: 0.225 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -383.471330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.471330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.552125 (E_RNA)
where:
Base-Base interactions energy: -267.150
where: short stacking energy: -112.868
Base-Backbone interact. energy: -0.397
local terms energy: -116.005961
where:
bonds (distance) C4'-P energy: -18.061
bonds (distance) P-C4' energy: -30.599
flat angles C4'-P-C4' energy: -22.452
flat angles P-C4'-P energy: -16.420
tors. eta vs tors. theta energy: -28.473
Dist. restrs. and SS energy: 0.081 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -377.793628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.793628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.163561 (E_RNA)
where:
Base-Base interactions energy: -262.517
where: short stacking energy: -97.362
Base-Backbone interact. energy: -1.009
local terms energy: -114.637711
where:
bonds (distance) C4'-P energy: -22.510
bonds (distance) P-C4' energy: -29.693
flat angles C4'-P-C4' energy: -23.729
flat angles P-C4'-P energy: -11.185
tors. eta vs tors. theta energy: -27.521
Dist. restrs. and SS energy: 0.370 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -336.758448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.758448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.912749 (E_RNA)
where:
Base-Base interactions energy: -225.480
where: short stacking energy: -72.901
Base-Backbone interact. energy: -0.565
local terms energy: -110.867758
where:
bonds (distance) C4'-P energy: -27.520
bonds (distance) P-C4' energy: -23.303
flat angles C4'-P-C4' energy: -25.021
flat angles P-C4'-P energy: -16.935
tors. eta vs tors. theta energy: -18.088
Dist. restrs. and SS energy: 0.154 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -351.158218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.158218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.269250 (E_RNA)
where:
Base-Base interactions energy: -237.635
where: short stacking energy: -93.075
Base-Backbone interact. energy: -0.456
local terms energy: -113.178880
where:
bonds (distance) C4'-P energy: -20.272
bonds (distance) P-C4' energy: -28.610
flat angles C4'-P-C4' energy: -20.079
flat angles P-C4'-P energy: -18.418
tors. eta vs tors. theta energy: -25.800
Dist. restrs. and SS energy: 0.111 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -331.084971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.084971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.430524 (E_RNA)
where:
Base-Base interactions energy: -238.048
where: short stacking energy: -99.801
Base-Backbone interact. energy: 0.725
local terms energy: -94.108034
where:
bonds (distance) C4'-P energy: -11.801
bonds (distance) P-C4' energy: -26.800
flat angles C4'-P-C4' energy: -24.539
flat angles P-C4'-P energy: -5.806
tors. eta vs tors. theta energy: -25.162
Dist. restrs. and SS energy: 0.346 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -312.791267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.791267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.371819 (E_RNA)
where:
Base-Base interactions energy: -210.841
where: short stacking energy: -92.073
Base-Backbone interact. energy: -0.530
local terms energy: -102.001021
where:
bonds (distance) C4'-P energy: -26.197
bonds (distance) P-C4' energy: -30.119
flat angles C4'-P-C4' energy: -20.949
flat angles P-C4'-P energy: -4.546
tors. eta vs tors. theta energy: -20.191
Dist. restrs. and SS energy: 0.581 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -445.285643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.285643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.412582 (E_RNA)
where:
Base-Base interactions energy: -307.735
where: short stacking energy: -111.833
Base-Backbone interact. energy: -0.624
local terms energy: -137.054310
where:
bonds (distance) C4'-P energy: -23.112
bonds (distance) P-C4' energy: -27.846
flat angles C4'-P-C4' energy: -29.664
flat angles P-C4'-P energy: -21.442
tors. eta vs tors. theta energy: -34.990
Dist. restrs. and SS energy: 0.127 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -417.120286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.120286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.376124 (E_RNA)
where:
Base-Base interactions energy: -285.064
where: short stacking energy: -110.109
Base-Backbone interact. energy: 1.250
local terms energy: -133.562072
where:
bonds (distance) C4'-P energy: -22.327
bonds (distance) P-C4' energy: -31.444
flat angles C4'-P-C4' energy: -32.874
flat angles P-C4'-P energy: -17.987
tors. eta vs tors. theta energy: -28.931
Dist. restrs. and SS energy: 0.256 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -387.389243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.389243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.527912 (E_RNA)
where:
Base-Base interactions energy: -256.679
where: short stacking energy: -113.349
Base-Backbone interact. energy: -0.296
local terms energy: -130.553310
where:
bonds (distance) C4'-P energy: -27.546
bonds (distance) P-C4' energy: -26.011
flat angles C4'-P-C4' energy: -28.211
flat angles P-C4'-P energy: -17.066
tors. eta vs tors. theta energy: -31.720
Dist. restrs. and SS energy: 0.139 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -386.016056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.016056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.287405 (E_RNA)
where:
Base-Base interactions energy: -265.591
where: short stacking energy: -102.512
Base-Backbone interact. energy: -0.580
local terms energy: -120.116434
where:
bonds (distance) C4'-P energy: -26.274
bonds (distance) P-C4' energy: -26.599
flat angles C4'-P-C4' energy: -25.399
flat angles P-C4'-P energy: -13.336
tors. eta vs tors. theta energy: -28.509
Dist. restrs. and SS energy: 0.271 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -388.439716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.439716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.599147 (E_RNA)
where:
Base-Base interactions energy: -266.914
where: short stacking energy: -103.307
Base-Backbone interact. energy: -1.621
local terms energy: -120.063834
where:
bonds (distance) C4'-P energy: -19.861
bonds (distance) P-C4' energy: -31.954
flat angles C4'-P-C4' energy: -23.177
flat angles P-C4'-P energy: -16.563
tors. eta vs tors. theta energy: -28.509
Dist. restrs. and SS energy: 0.159 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -371.107301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.107301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.660585 (E_RNA)
where:
Base-Base interactions energy: -251.030
where: short stacking energy: -90.394
Base-Backbone interact. energy: -0.862
local terms energy: -119.769076
where:
bonds (distance) C4'-P energy: -23.828
bonds (distance) P-C4' energy: -27.948
flat angles C4'-P-C4' energy: -22.440
flat angles P-C4'-P energy: -18.288
tors. eta vs tors. theta energy: -27.264
Dist. restrs. and SS energy: 0.553 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -362.856845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.856845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.248617 (E_RNA)
where:
Base-Base interactions energy: -240.645
where: short stacking energy: -95.314
Base-Backbone interact. energy: -1.459
local terms energy: -121.144537
where:
bonds (distance) C4'-P energy: -24.446
bonds (distance) P-C4' energy: -21.728
flat angles C4'-P-C4' energy: -25.383
flat angles P-C4'-P energy: -21.189
tors. eta vs tors. theta energy: -28.398
Dist. restrs. and SS energy: 0.392 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -346.602218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.602218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.053861 (E_RNA)
where:
Base-Base interactions energy: -234.999
where: short stacking energy: -97.841
Base-Backbone interact. energy: 3.539
local terms energy: -115.593233
where:
bonds (distance) C4'-P energy: -21.976
bonds (distance) P-C4' energy: -25.785
flat angles C4'-P-C4' energy: -27.871
flat angles P-C4'-P energy: -13.490
tors. eta vs tors. theta energy: -26.472
Dist. restrs. and SS energy: 0.452 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -334.214508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.214508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.451015 (E_RNA)
where:
Base-Base interactions energy: -230.830
where: short stacking energy: -80.590
Base-Backbone interact. energy: -0.563
local terms energy: -103.058210
where:
bonds (distance) C4'-P energy: -25.731
bonds (distance) P-C4' energy: -18.341
flat angles C4'-P-C4' energy: -22.788
flat angles P-C4'-P energy: -13.681
tors. eta vs tors. theta energy: -22.517
Dist. restrs. and SS energy: 0.237 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -308.336752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.336752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.212503 (E_RNA)
where:
Base-Base interactions energy: -210.227
where: short stacking energy: -85.040
Base-Backbone interact. energy: 0.937
local terms energy: -101.922990
where:
bonds (distance) C4'-P energy: -16.205
bonds (distance) P-C4' energy: -26.148
flat angles C4'-P-C4' energy: -25.556
flat angles P-C4'-P energy: -9.770
tors. eta vs tors. theta energy: -24.244
Dist. restrs. and SS energy: 2.876 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -442.393494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.393494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.620717 (E_RNA)
where:
Base-Base interactions energy: -307.261
where: short stacking energy: -118.318
Base-Backbone interact. energy: -0.532
local terms energy: -134.828099
where:
bonds (distance) C4'-P energy: -28.061
bonds (distance) P-C4' energy: -29.029
flat angles C4'-P-C4' energy: -24.349
flat angles P-C4'-P energy: -20.398
tors. eta vs tors. theta energy: -32.992
Dist. restrs. and SS energy: 0.227 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -420.361513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.361513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.414752 (E_RNA)
where:
Base-Base interactions energy: -288.799
where: short stacking energy: -116.193
Base-Backbone interact. energy: -3.136
local terms energy: -128.479580
where:
bonds (distance) C4'-P energy: -24.011
bonds (distance) P-C4' energy: -27.793
flat angles C4'-P-C4' energy: -31.302
flat angles P-C4'-P energy: -13.474
tors. eta vs tors. theta energy: -31.899
Dist. restrs. and SS energy: 0.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -381.124716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.124716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.194779 (E_RNA)
where:
Base-Base interactions energy: -250.517
where: short stacking energy: -107.465
Base-Backbone interact. energy: -0.394
local terms energy: -130.283293
where:
bonds (distance) C4'-P energy: -27.046
bonds (distance) P-C4' energy: -24.842
flat angles C4'-P-C4' energy: -27.488
flat angles P-C4'-P energy: -19.617
tors. eta vs tors. theta energy: -31.290
Dist. restrs. and SS energy: 0.070 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -402.395011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.395011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.420965 (E_RNA)
where:
Base-Base interactions energy: -284.592
where: short stacking energy: -109.765
Base-Backbone interact. energy: -0.575
local terms energy: -117.253353
where:
bonds (distance) C4'-P energy: -24.791
bonds (distance) P-C4' energy: -23.648
flat angles C4'-P-C4' energy: -24.909
flat angles P-C4'-P energy: -13.521
tors. eta vs tors. theta energy: -30.385
Dist. restrs. and SS energy: 0.026 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -378.365957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.365957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.884138 (E_RNA)
where:
Base-Base interactions energy: -249.603
where: short stacking energy: -100.838
Base-Backbone interact. energy: -0.328
local terms energy: -128.953634
where:
bonds (distance) C4'-P energy: -22.738
bonds (distance) P-C4' energy: -26.520
flat angles C4'-P-C4' energy: -31.212
flat angles P-C4'-P energy: -18.758
tors. eta vs tors. theta energy: -29.725
Dist. restrs. and SS energy: 0.518 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -360.127525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.127525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.249975 (E_RNA)
where:
Base-Base interactions energy: -246.593
where: short stacking energy: -97.874
Base-Backbone interact. energy: -0.414
local terms energy: -114.243440
where:
bonds (distance) C4'-P energy: -30.196
bonds (distance) P-C4' energy: -23.547
flat angles C4'-P-C4' energy: -22.261
flat angles P-C4'-P energy: -14.569
tors. eta vs tors. theta energy: -23.671
Dist. restrs. and SS energy: 1.122 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -351.084594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.084594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.232400 (E_RNA)
where:
Base-Base interactions energy: -244.584
where: short stacking energy: -101.615
Base-Backbone interact. energy: 2.774
local terms energy: -109.422422
where:
bonds (distance) C4'-P energy: -17.078
bonds (distance) P-C4' energy: -20.662
flat angles C4'-P-C4' energy: -28.392
flat angles P-C4'-P energy: -16.072
tors. eta vs tors. theta energy: -27.219
Dist. restrs. and SS energy: 0.148 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -348.720015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.720015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.057480 (E_RNA)
where:
Base-Base interactions energy: -230.073
where: short stacking energy: -94.567
Base-Backbone interact. energy: 2.181
local terms energy: -121.165355
where:
bonds (distance) C4'-P energy: -27.355
bonds (distance) P-C4' energy: -16.894
flat angles C4'-P-C4' energy: -32.208
flat angles P-C4'-P energy: -16.107
tors. eta vs tors. theta energy: -28.601
Dist. restrs. and SS energy: 0.337 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -312.931853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.931853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.979798 (E_RNA)
where:
Base-Base interactions energy: -208.954
where: short stacking energy: -77.364
Base-Backbone interact. energy: -0.309
local terms energy: -103.716450
where:
bonds (distance) C4'-P energy: -21.807
bonds (distance) P-C4' energy: -19.254
flat angles C4'-P-C4' energy: -29.387
flat angles P-C4'-P energy: -14.081
tors. eta vs tors. theta energy: -19.186
Dist. restrs. and SS energy: 0.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -333.854551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.854551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.140012 (E_RNA)
where:
Base-Base interactions energy: -222.891
where: short stacking energy: -94.444
Base-Backbone interact. energy: -0.276
local terms energy: -110.973261
where:
bonds (distance) C4'-P energy: -18.114
bonds (distance) P-C4' energy: -18.031
flat angles C4'-P-C4' energy: -25.401
flat angles P-C4'-P energy: -18.019
tors. eta vs tors. theta energy: -31.408
Dist. restrs. and SS energy: 0.285 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -445.100861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.100861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.769152 (E_RNA)
where:
Base-Base interactions energy: -314.352
where: short stacking energy: -120.930
Base-Backbone interact. energy: -0.799
local terms energy: -130.617801
where:
bonds (distance) C4'-P energy: -25.406
bonds (distance) P-C4' energy: -25.829
flat angles C4'-P-C4' energy: -29.386
flat angles P-C4'-P energy: -17.442
tors. eta vs tors. theta energy: -32.555
Dist. restrs. and SS energy: 0.668 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -402.634160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.634160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.767233 (E_RNA)
where:
Base-Base interactions energy: -277.196
where: short stacking energy: -106.860
Base-Backbone interact. energy: -0.500
local terms energy: -125.071512
where:
bonds (distance) C4'-P energy: -28.824
bonds (distance) P-C4' energy: -29.350
flat angles C4'-P-C4' energy: -29.137
flat angles P-C4'-P energy: -9.900
tors. eta vs tors. theta energy: -27.861
Dist. restrs. and SS energy: 0.133 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -399.459879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.459879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.716687 (E_RNA)
where:
Base-Base interactions energy: -273.398
where: short stacking energy: -117.196
Base-Backbone interact. energy: -0.775
local terms energy: -125.543865
where:
bonds (distance) C4'-P energy: -24.918
bonds (distance) P-C4' energy: -18.982
flat angles C4'-P-C4' energy: -27.148
flat angles P-C4'-P energy: -18.431
tors. eta vs tors. theta energy: -36.066
Dist. restrs. and SS energy: 0.257 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -384.692192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.692192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.776644 (E_RNA)
where:
Base-Base interactions energy: -260.843
where: short stacking energy: -109.509
Base-Backbone interact. energy: -0.216
local terms energy: -123.718038
where:
bonds (distance) C4'-P energy: -24.944
bonds (distance) P-C4' energy: -21.403
flat angles C4'-P-C4' energy: -28.096
flat angles P-C4'-P energy: -13.697
tors. eta vs tors. theta energy: -35.578
Dist. restrs. and SS energy: 0.084 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -381.376430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.376430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.493374 (E_RNA)
where:
Base-Base interactions energy: -253.843
where: short stacking energy: -107.401
Base-Backbone interact. energy: 1.825
local terms energy: -129.475500
where:
bonds (distance) C4'-P energy: -26.536
bonds (distance) P-C4' energy: -24.762
flat angles C4'-P-C4' energy: -26.237
flat angles P-C4'-P energy: -19.996
tors. eta vs tors. theta energy: -31.944
Dist. restrs. and SS energy: 0.117 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -370.758273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.758273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.227576 (E_RNA)
where:
Base-Base interactions energy: -248.614
where: short stacking energy: -100.665
Base-Backbone interact. energy: -0.498
local terms energy: -122.115592
where:
bonds (distance) C4'-P energy: -22.112
bonds (distance) P-C4' energy: -25.805
flat angles C4'-P-C4' energy: -23.916
flat angles P-C4'-P energy: -20.396
tors. eta vs tors. theta energy: -29.886
Dist. restrs. and SS energy: 0.469 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -340.874626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.874626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.010233 (E_RNA)
where:
Base-Base interactions energy: -222.061
where: short stacking energy: -80.932
Base-Backbone interact. energy: -0.256
local terms energy: -118.693308
where:
bonds (distance) C4'-P energy: -22.677
bonds (distance) P-C4' energy: -25.968
flat angles C4'-P-C4' energy: -28.710
flat angles P-C4'-P energy: -16.006
tors. eta vs tors. theta energy: -25.332
Dist. restrs. and SS energy: 0.136 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -352.474652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.474652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.225635 (E_RNA)
where:
Base-Base interactions energy: -238.118
where: short stacking energy: -96.412
Base-Backbone interact. energy: -1.258
local terms energy: -113.848835
where:
bonds (distance) C4'-P energy: -26.673
bonds (distance) P-C4' energy: -14.201
flat angles C4'-P-C4' energy: -27.070
flat angles P-C4'-P energy: -18.668
tors. eta vs tors. theta energy: -27.236
Dist. restrs. and SS energy: 0.751 (S_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: -328.228726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.228726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.645713 (E_RNA)
where:
Base-Base interactions energy: -221.547
where: short stacking energy: -79.957
Base-Backbone interact. energy: -0.215
local terms energy: -106.884259
where:
bonds (distance) C4'-P energy: -17.215
bonds (distance) P-C4' energy: -20.745
flat angles C4'-P-C4' energy: -26.742
flat angles P-C4'-P energy: -18.812
tors. eta vs tors. theta energy: -23.371
Dist. restrs. and SS energy: 0.417 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -305.663398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.663398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.286209 (E_RNA)
where:
Base-Base interactions energy: -203.597
where: short stacking energy: -72.767
Base-Backbone interact. energy: -0.137
local terms energy: -102.552738
where:
bonds (distance) C4'-P energy: -23.066
bonds (distance) P-C4' energy: -24.442
flat angles C4'-P-C4' energy: -24.205
flat angles P-C4'-P energy: -12.352
tors. eta vs tors. theta energy: -18.488
Dist. restrs. and SS energy: 0.623 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -444.160074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.160074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.537209 (E_RNA)
where:
Base-Base interactions energy: -307.534
where: short stacking energy: -113.135
Base-Backbone interact. energy: -0.667
local terms energy: -136.336309
where:
bonds (distance) C4'-P energy: -23.778
bonds (distance) P-C4' energy: -25.029
flat angles C4'-P-C4' energy: -33.603
flat angles P-C4'-P energy: -22.253
tors. eta vs tors. theta energy: -31.673
Dist. restrs. and SS energy: 0.377 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -407.080532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.080532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.348975 (E_RNA)
where:
Base-Base interactions energy: -274.373
where: short stacking energy: -111.732
Base-Backbone interact. energy: -1.575
local terms energy: -131.401619
where:
bonds (distance) C4'-P energy: -27.731
bonds (distance) P-C4' energy: -27.511
flat angles C4'-P-C4' energy: -27.988
flat angles P-C4'-P energy: -17.754
tors. eta vs tors. theta energy: -30.418
Dist. restrs. and SS energy: 0.268 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -383.007430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.007430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.136269 (E_RNA)
where:
Base-Base interactions energy: -256.780
where: short stacking energy: -112.836
Base-Backbone interact. energy: -0.582
local terms energy: -125.774239
where:
bonds (distance) C4'-P energy: -27.732
bonds (distance) P-C4' energy: -22.083
flat angles C4'-P-C4' energy: -27.837
flat angles P-C4'-P energy: -22.239
tors. eta vs tors. theta energy: -25.884
Dist. restrs. and SS energy: 0.129 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -386.988470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.988470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.199391 (E_RNA)
where:
Base-Base interactions energy: -254.604
where: short stacking energy: -107.815
Base-Backbone interact. energy: -1.510
local terms energy: -131.085096
where:
bonds (distance) C4'-P energy: -26.500
bonds (distance) P-C4' energy: -24.809
flat angles C4'-P-C4' energy: -30.212
flat angles P-C4'-P energy: -22.527
tors. eta vs tors. theta energy: -27.038
Dist. restrs. and SS energy: 0.211 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -374.541319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.541319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.754204 (E_RNA)
where:
Base-Base interactions energy: -239.110
where: short stacking energy: -101.381
Base-Backbone interact. energy: -0.819
local terms energy: -134.825208
where:
bonds (distance) C4'-P energy: -28.794
bonds (distance) P-C4' energy: -30.526
flat angles C4'-P-C4' energy: -27.453
flat angles P-C4'-P energy: -18.244
tors. eta vs tors. theta energy: -29.807
Dist. restrs. and SS energy: 0.213 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -342.545162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.545162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.944534 (E_RNA)
where:
Base-Base interactions energy: -235.890
where: short stacking energy: -92.278
Base-Backbone interact. energy: -0.601
local terms energy: -106.453624
where:
bonds (distance) C4'-P energy: -22.606
bonds (distance) P-C4' energy: -25.145
flat angles C4'-P-C4' energy: -19.104
flat angles P-C4'-P energy: -16.395
tors. eta vs tors. theta energy: -23.203
Dist. restrs. and SS energy: 0.399 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -345.552951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.552951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.796446 (E_RNA)
where:
Base-Base interactions energy: -234.878
where: short stacking energy: -87.598
Base-Backbone interact. energy: -1.218
local terms energy: -109.699962
where:
bonds (distance) C4'-P energy: -23.752
bonds (distance) P-C4' energy: -23.805
flat angles C4'-P-C4' energy: -21.863
flat angles P-C4'-P energy: -21.672
tors. eta vs tors. theta energy: -18.607
Dist. restrs. and SS energy: 0.243 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -337.262057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.262057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.674839 (E_RNA)
where:
Base-Base interactions energy: -234.894
where: short stacking energy: -86.534
Base-Backbone interact. energy: -0.206
local terms energy: -102.574503
where:
bonds (distance) C4'-P energy: -18.857
bonds (distance) P-C4' energy: -27.127
flat angles C4'-P-C4' energy: -23.430
flat angles P-C4'-P energy: -9.856
tors. eta vs tors. theta energy: -23.305
Dist. restrs. and SS energy: 0.413 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -357.930069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.930069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.084555 (E_RNA)
where:
Base-Base interactions energy: -229.233
where: short stacking energy: -88.161
Base-Backbone interact. energy: -0.518
local terms energy: -128.334191
where:
bonds (distance) C4'-P energy: -31.291
bonds (distance) P-C4' energy: -29.567
flat angles C4'-P-C4' energy: -23.554
flat angles P-C4'-P energy: -18.807
tors. eta vs tors. theta energy: -25.115
Dist. restrs. and SS energy: 0.154 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -301.898374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.898374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.740736 (E_RNA)
where:
Base-Base interactions energy: -202.637
where: short stacking energy: -89.545
Base-Backbone interact. energy: -0.378
local terms energy: -99.725239
where:
bonds (distance) C4'-P energy: -27.819
bonds (distance) P-C4' energy: -25.696
flat angles C4'-P-C4' energy: -19.085
flat angles P-C4'-P energy: -8.101
tors. eta vs tors. theta energy: -19.024
Dist. restrs. and SS energy: 0.842 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -448.482465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.482465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.659326 (E_RNA)
where:
Base-Base interactions energy: -309.938
where: short stacking energy: -124.047
Base-Backbone interact. energy: 0.018
local terms energy: -138.738771
where:
bonds (distance) C4'-P energy: -26.645
bonds (distance) P-C4' energy: -30.827
flat angles C4'-P-C4' energy: -28.878
flat angles P-C4'-P energy: -23.954
tors. eta vs tors. theta energy: -28.435
Dist. restrs. and SS energy: 0.177 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -416.621851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.621851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.700444 (E_RNA)
where:
Base-Base interactions energy: -280.685
where: short stacking energy: -114.269
Base-Backbone interact. energy: -0.810
local terms energy: -135.204967
where:
bonds (distance) C4'-P energy: -25.179
bonds (distance) P-C4' energy: -25.395
flat angles C4'-P-C4' energy: -32.680
flat angles P-C4'-P energy: -20.629
tors. eta vs tors. theta energy: -31.323
Dist. restrs. and SS energy: 0.079 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -397.720431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.720431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.879024 (E_RNA)
where:
Base-Base interactions energy: -288.255
where: short stacking energy: -102.950
Base-Backbone interact. energy: -1.076
local terms energy: -108.547421
where:
bonds (distance) C4'-P energy: -17.872
bonds (distance) P-C4' energy: -26.064
flat angles C4'-P-C4' energy: -29.799
flat angles P-C4'-P energy: -13.000
tors. eta vs tors. theta energy: -21.813
Dist. restrs. and SS energy: 0.159 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -385.479322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.479322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.699975 (E_RNA)
where:
Base-Base interactions energy: -277.176
where: short stacking energy: -109.779
Base-Backbone interact. energy: 0.182
local terms energy: -108.705979
where:
bonds (distance) C4'-P energy: -22.638
bonds (distance) P-C4' energy: -21.693
flat angles C4'-P-C4' energy: -22.662
flat angles P-C4'-P energy: -13.736
tors. eta vs tors. theta energy: -27.978
Dist. restrs. and SS energy: 0.221 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -376.294982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.294982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.787710 (E_RNA)
where:
Base-Base interactions energy: -245.124
where: short stacking energy: -108.572
Base-Backbone interact. energy: 0.475
local terms energy: -132.139123
where:
bonds (distance) C4'-P energy: -25.270
bonds (distance) P-C4' energy: -26.309
flat angles C4'-P-C4' energy: -30.902
flat angles P-C4'-P energy: -15.212
tors. eta vs tors. theta energy: -34.446
Dist. restrs. and SS energy: 0.493 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -368.108767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.108767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.196395 (E_RNA)
where:
Base-Base interactions energy: -251.715
where: short stacking energy: -98.624
Base-Backbone interact. energy: -1.471
local terms energy: -115.010474
where:
bonds (distance) C4'-P energy: -22.569
bonds (distance) P-C4' energy: -25.910
flat angles C4'-P-C4' energy: -20.052
flat angles P-C4'-P energy: -19.195
tors. eta vs tors. theta energy: -27.285
Dist. restrs. and SS energy: 0.088 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -350.449801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.449801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.637846 (E_RNA)
where:
Base-Base interactions energy: -239.976
where: short stacking energy: -97.074
Base-Backbone interact. energy: -0.702
local terms energy: -109.959773
where:
bonds (distance) C4'-P energy: -20.048
bonds (distance) P-C4' energy: -26.598
flat angles C4'-P-C4' energy: -24.830
flat angles P-C4'-P energy: -11.969
tors. eta vs tors. theta energy: -26.514
Dist. restrs. and SS energy: 0.188 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -345.707172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.707172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.969452 (E_RNA)
where:
Base-Base interactions energy: -232.685
where: short stacking energy: -85.404
Base-Backbone interact. energy: 0.604
local terms energy: -113.889289
where:
bonds (distance) C4'-P energy: -22.937
bonds (distance) P-C4' energy: -26.235
flat angles C4'-P-C4' energy: -28.623
flat angles P-C4'-P energy: -17.484
tors. eta vs tors. theta energy: -18.610
Dist. restrs. and SS energy: 0.262 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -350.579468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.579468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.589249 (E_RNA)
where:
Base-Base interactions energy: -232.844
where: short stacking energy: -92.334
Base-Backbone interact. energy: -0.039
local terms energy: -117.706162
where:
bonds (distance) C4'-P energy: -24.834
bonds (distance) P-C4' energy: -23.943
flat angles C4'-P-C4' energy: -23.005
flat angles P-C4'-P energy: -20.860
tors. eta vs tors. theta energy: -25.065
Dist. restrs. and SS energy: 0.010 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -318.994684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.994684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.164149 (E_RNA)
where:
Base-Base interactions energy: -217.919
where: short stacking energy: -88.157
Base-Backbone interact. energy: -0.513
local terms energy: -100.732099
where:
bonds (distance) C4'-P energy: -17.837
bonds (distance) P-C4' energy: -21.809
flat angles C4'-P-C4' energy: -25.836
flat angles P-C4'-P energy: -14.940
tors. eta vs tors. theta energy: -20.310
Dist. restrs. and SS energy: 0.169 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -446.985901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.985901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.452649 (E_RNA)
where:
Base-Base interactions energy: -314.386
where: short stacking energy: -121.092
Base-Backbone interact. energy: -0.626
local terms energy: -132.440808
where:
bonds (distance) C4'-P energy: -24.371
bonds (distance) P-C4' energy: -27.120
flat angles C4'-P-C4' energy: -32.252
flat angles P-C4'-P energy: -15.639
tors. eta vs tors. theta energy: -33.059
Dist. restrs. and SS energy: 0.467 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -417.802582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.802582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.126775 (E_RNA)
where:
Base-Base interactions energy: -292.024
where: short stacking energy: -113.403
Base-Backbone interact. energy: -0.039
local terms energy: -126.063688
where:
bonds (distance) C4'-P energy: -24.941
bonds (distance) P-C4' energy: -26.395
flat angles C4'-P-C4' energy: -28.445
flat angles P-C4'-P energy: -11.633
tors. eta vs tors. theta energy: -34.650
Dist. restrs. and SS energy: 0.324 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -392.317060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.317060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.330391 (E_RNA)
where:
Base-Base interactions energy: -261.789
where: short stacking energy: -98.651
Base-Backbone interact. energy: -2.175
local terms energy: -128.366351
where:
bonds (distance) C4'-P energy: -27.294
bonds (distance) P-C4' energy: -24.762
flat angles C4'-P-C4' energy: -30.457
flat angles P-C4'-P energy: -21.675
tors. eta vs tors. theta energy: -24.178
Dist. restrs. and SS energy: 0.013 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -392.085842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.085842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.265707 (E_RNA)
where:
Base-Base interactions energy: -275.575
where: short stacking energy: -103.158
Base-Backbone interact. energy: -0.359
local terms energy: -116.331912
where:
bonds (distance) C4'-P energy: -23.128
bonds (distance) P-C4' energy: -20.291
flat angles C4'-P-C4' energy: -31.414
flat angles P-C4'-P energy: -13.111
tors. eta vs tors. theta energy: -28.388
Dist. restrs. and SS energy: 0.180 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -357.796007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.796007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.842435 (E_RNA)
where:
Base-Base interactions energy: -234.742
where: short stacking energy: -97.576
Base-Backbone interact. energy: -0.051
local terms energy: -123.048922
where:
bonds (distance) C4'-P energy: -25.599
bonds (distance) P-C4' energy: -28.620
flat angles C4'-P-C4' energy: -25.058
flat angles P-C4'-P energy: -14.957
tors. eta vs tors. theta energy: -28.815
Dist. restrs. and SS energy: 0.046 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -365.084732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.084732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.121187 (E_RNA)
where:
Base-Base interactions energy: -244.608
where: short stacking energy: -105.682
Base-Backbone interact. energy: -0.233
local terms energy: -120.279368
where:
bonds (distance) C4'-P energy: -26.183
bonds (distance) P-C4' energy: -26.077
flat angles C4'-P-C4' energy: -24.302
flat angles P-C4'-P energy: -13.040
tors. eta vs tors. theta energy: -30.677
Dist. restrs. and SS energy: 0.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -343.192883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.192883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.644762 (E_RNA)
where:
Base-Base interactions energy: -246.663
where: short stacking energy: -88.927
Base-Backbone interact. energy: -0.417
local terms energy: -96.564067
where:
bonds (distance) C4'-P energy: -24.014
bonds (distance) P-C4' energy: -21.487
flat angles C4'-P-C4' energy: -20.446
flat angles P-C4'-P energy: -6.173
tors. eta vs tors. theta energy: -24.444
Dist. restrs. and SS energy: 0.452 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -341.253594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.253594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.404768 (E_RNA)
where:
Base-Base interactions energy: -225.364
where: short stacking energy: -77.283
Base-Backbone interact. energy: 0.754
local terms energy: -116.794842
where:
bonds (distance) C4'-P energy: -9.721
bonds (distance) P-C4' energy: -28.805
flat angles C4'-P-C4' energy: -31.108
flat angles P-C4'-P energy: -21.530
tors. eta vs tors. theta energy: -25.630
Dist. restrs. and SS energy: 0.151 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -338.001350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.001350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.405302 (E_RNA)
where:
Base-Base interactions energy: -235.656
where: short stacking energy: -88.570
Base-Backbone interact. energy: -0.522
local terms energy: -102.227041
where:
bonds (distance) C4'-P energy: -22.565
bonds (distance) P-C4' energy: -25.539
flat angles C4'-P-C4' energy: -19.221
flat angles P-C4'-P energy: -15.644
tors. eta vs tors. theta energy: -19.258
Dist. restrs. and SS energy: 0.404 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -313.583348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.583348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.796237 (E_RNA)
where:
Base-Base interactions energy: -225.249
where: short stacking energy: -83.937
Base-Backbone interact. energy: -0.358
local terms energy: -88.188465
where:
bonds (distance) C4'-P energy: -23.388
bonds (distance) P-C4' energy: -19.662
flat angles C4'-P-C4' energy: -19.139
flat angles P-C4'-P energy: -14.163
tors. eta vs tors. theta energy: -11.836
Dist. restrs. and SS energy: 0.213 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -439.591103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.591103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.874874 (E_RNA)
where:
Base-Base interactions energy: -311.141
where: short stacking energy: -117.560
Base-Backbone interact. energy: -0.705
local terms energy: -128.028758
where:
bonds (distance) C4'-P energy: -30.831
bonds (distance) P-C4' energy: -27.664
flat angles C4'-P-C4' energy: -19.746
flat angles P-C4'-P energy: -19.222
tors. eta vs tors. theta energy: -30.565
Dist. restrs. and SS energy: 0.284 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -423.545023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.545023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.648732 (E_RNA)
where:
Base-Base interactions energy: -291.410
where: short stacking energy: -119.947
Base-Backbone interact. energy: -1.252
local terms energy: -130.986969
where:
bonds (distance) C4'-P energy: -21.294
bonds (distance) P-C4' energy: -25.351
flat angles C4'-P-C4' energy: -30.525
flat angles P-C4'-P energy: -21.677
tors. eta vs tors. theta energy: -32.139
Dist. restrs. and SS energy: 0.104 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -408.105950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.105950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.257413 (E_RNA)
where:
Base-Base interactions energy: -275.222
where: short stacking energy: -110.497
Base-Backbone interact. energy: -0.444
local terms energy: -132.591376
where:
bonds (distance) C4'-P energy: -31.434
bonds (distance) P-C4' energy: -25.379
flat angles C4'-P-C4' energy: -27.857
flat angles P-C4'-P energy: -18.354
tors. eta vs tors. theta energy: -29.567
Dist. restrs. and SS energy: 0.151 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -398.540882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.540882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.876598 (E_RNA)
where:
Base-Base interactions energy: -270.820
where: short stacking energy: -118.295
Base-Backbone interact. energy: -0.171
local terms energy: -127.885900
where:
bonds (distance) C4'-P energy: -19.259
bonds (distance) P-C4' energy: -27.733
flat angles C4'-P-C4' energy: -26.895
flat angles P-C4'-P energy: -20.553
tors. eta vs tors. theta energy: -33.446
Dist. restrs. and SS energy: 0.336 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -364.470206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.470206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.738976 (E_RNA)
where:
Base-Base interactions energy: -246.419
where: short stacking energy: -102.086
Base-Backbone interact. energy: -0.583
local terms energy: -117.736166
where:
bonds (distance) C4'-P energy: -18.656
bonds (distance) P-C4' energy: -25.842
flat angles C4'-P-C4' energy: -28.018
flat angles P-C4'-P energy: -18.537
tors. eta vs tors. theta energy: -26.683
Dist. restrs. and SS energy: 0.269 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -351.308403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.308403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.643651 (E_RNA)
where:
Base-Base interactions energy: -238.174
where: short stacking energy: -99.475
Base-Backbone interact. energy: -1.586
local terms energy: -111.884104
where:
bonds (distance) C4'-P energy: -21.869
bonds (distance) P-C4' energy: -25.776
flat angles C4'-P-C4' energy: -26.156
flat angles P-C4'-P energy: -14.844
tors. eta vs tors. theta energy: -23.239
Dist. restrs. and SS energy: 0.335 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -361.098230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.098230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.260363 (E_RNA)
where:
Base-Base interactions energy: -251.274
where: short stacking energy: -100.736
Base-Backbone interact. energy: 2.813
local terms energy: -112.799832
where:
bonds (distance) C4'-P energy: -22.765
bonds (distance) P-C4' energy: -22.947
flat angles C4'-P-C4' energy: -29.448
flat angles P-C4'-P energy: -11.834
tors. eta vs tors. theta energy: -25.806
Dist. restrs. and SS energy: 0.162 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -326.796898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.796898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.907647 (E_RNA)
where:
Base-Base interactions energy: -224.284
where: short stacking energy: -88.434
Base-Backbone interact. energy: 0.328
local terms energy: -102.951255
where:
bonds (distance) C4'-P energy: -17.288
bonds (distance) P-C4' energy: -23.096
flat angles C4'-P-C4' energy: -26.315
flat angles P-C4'-P energy: -15.510
tors. eta vs tors. theta energy: -20.743
Dist. restrs. and SS energy: 0.111 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -327.489150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.489150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.570382 (E_RNA)
where:
Base-Base interactions energy: -221.477
where: short stacking energy: -85.330
Base-Backbone interact. energy: -0.174
local terms energy: -105.919663
where:
bonds (distance) C4'-P energy: -29.337
bonds (distance) P-C4' energy: -22.196
flat angles C4'-P-C4' energy: -20.015
flat angles P-C4'-P energy: -9.146
tors. eta vs tors. theta energy: -25.225
Dist. restrs. and SS energy: 0.081 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -312.420111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.420111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.699591 (E_RNA)
where:
Base-Base interactions energy: -198.638
where: short stacking energy: -75.733
Base-Backbone interact. energy: -0.129
local terms energy: -113.932117
where:
bonds (distance) C4'-P energy: -22.913
bonds (distance) P-C4' energy: -23.285
flat angles C4'-P-C4' energy: -26.113
flat angles P-C4'-P energy: -13.171
tors. eta vs tors. theta energy: -28.450
Dist. restrs. and SS energy: 0.279 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -445.755645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.755645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.867872 (E_RNA)
where:
Base-Base interactions energy: -307.809
where: short stacking energy: -111.210
Base-Backbone interact. energy: 0.926
local terms energy: -138.984782
where:
bonds (distance) C4'-P energy: -28.381
bonds (distance) P-C4' energy: -29.965
flat angles C4'-P-C4' energy: -28.793
flat angles P-C4'-P energy: -17.533
tors. eta vs tors. theta energy: -34.313
Dist. restrs. and SS energy: 0.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -419.829179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.829179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.003168 (E_RNA)
where:
Base-Base interactions energy: -287.014
where: short stacking energy: -120.255
Base-Backbone interact. energy: -1.785
local terms energy: -131.204247
where:
bonds (distance) C4'-P energy: -28.580
bonds (distance) P-C4' energy: -28.996
flat angles C4'-P-C4' energy: -25.932
flat angles P-C4'-P energy: -15.384
tors. eta vs tors. theta energy: -32.313
Dist. restrs. and SS energy: 0.174 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -396.752078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.752078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.939256 (E_RNA)
where:
Base-Base interactions energy: -265.235
where: short stacking energy: -107.331
Base-Backbone interact. energy: -0.335
local terms energy: -131.369888
where:
bonds (distance) C4'-P energy: -26.731
bonds (distance) P-C4' energy: -28.386
flat angles C4'-P-C4' energy: -30.772
flat angles P-C4'-P energy: -15.769
tors. eta vs tors. theta energy: -29.713
Dist. restrs. and SS energy: 0.187 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -370.529570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.529570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.093641 (E_RNA)
where:
Base-Base interactions energy: -254.343
where: short stacking energy: -92.606
Base-Backbone interact. energy: -0.125
local terms energy: -116.625891
where:
bonds (distance) C4'-P energy: -16.938
bonds (distance) P-C4' energy: -26.901
flat angles C4'-P-C4' energy: -27.918
flat angles P-C4'-P energy: -19.335
tors. eta vs tors. theta energy: -25.534
Dist. restrs. and SS energy: 0.564 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -394.198807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.198807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.247493 (E_RNA)
where:
Base-Base interactions energy: -262.537
where: short stacking energy: -106.392
Base-Backbone interact. energy: -0.587
local terms energy: -131.123418
where:
bonds (distance) C4'-P energy: -24.512
bonds (distance) P-C4' energy: -25.340
flat angles C4'-P-C4' energy: -30.255
flat angles P-C4'-P energy: -20.871
tors. eta vs tors. theta energy: -30.145
Dist. restrs. and SS energy: 0.049 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -346.296330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.296330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.846914 (E_RNA)
where:
Base-Base interactions energy: -231.074
where: short stacking energy: -88.406
Base-Backbone interact. energy: -0.492
local terms energy: -115.280577
where:
bonds (distance) C4'-P energy: -25.207
bonds (distance) P-C4' energy: -28.223
flat angles C4'-P-C4' energy: -24.758
flat angles P-C4'-P energy: -17.100
tors. eta vs tors. theta energy: -19.992
Dist. restrs. and SS energy: 0.551 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -326.644260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.644260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.727998 (E_RNA)
where:
Base-Base interactions energy: -217.782
where: short stacking energy: -74.891
Base-Backbone interact. energy: -0.636
local terms energy: -108.309996
where:
bonds (distance) C4'-P energy: -23.684
bonds (distance) P-C4' energy: -27.760
flat angles C4'-P-C4' energy: -24.245
flat angles P-C4'-P energy: -19.297
tors. eta vs tors. theta energy: -13.324
Dist. restrs. and SS energy: 0.084 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -348.651558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.651558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.739652 (E_RNA)
where:
Base-Base interactions energy: -225.756
where: short stacking energy: -89.887
Base-Backbone interact. energy: -0.299
local terms energy: -122.684397
where:
bonds (distance) C4'-P energy: -27.633
bonds (distance) P-C4' energy: -28.177
flat angles C4'-P-C4' energy: -21.454
flat angles P-C4'-P energy: -20.232
tors. eta vs tors. theta energy: -25.188
Dist. restrs. and SS energy: 0.088 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -320.571116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.571116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.885131 (E_RNA)
where:
Base-Base interactions energy: -225.433
where: short stacking energy: -84.423
Base-Backbone interact. energy: -0.103
local terms energy: -95.349257
where:
bonds (distance) C4'-P energy: -19.582
bonds (distance) P-C4' energy: -14.637
flat angles C4'-P-C4' energy: -28.111
flat angles P-C4'-P energy: -12.310
tors. eta vs tors. theta energy: -20.709
Dist. restrs. and SS energy: 0.314 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -310.613418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.613418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.969288 (E_RNA)
where:
Base-Base interactions energy: -205.358
where: short stacking energy: -81.162
Base-Backbone interact. energy: -0.395
local terms energy: -105.216436
where:
bonds (distance) C4'-P energy: -21.278
bonds (distance) P-C4' energy: -22.537
flat angles C4'-P-C4' energy: -25.609
flat angles P-C4'-P energy: -15.826
tors. eta vs tors. theta energy: -19.967
Dist. restrs. and SS energy: 0.356 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -448.073574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.073574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.418743 (E_RNA)
where:
Base-Base interactions energy: -310.738
where: short stacking energy: -103.679
Base-Backbone interact. energy: -0.624
local terms energy: -137.057307
where:
bonds (distance) C4'-P energy: -26.101
bonds (distance) P-C4' energy: -25.361
flat angles C4'-P-C4' energy: -34.184
flat angles P-C4'-P energy: -16.956
tors. eta vs tors. theta energy: -34.455
Dist. restrs. and SS energy: 0.345 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -410.732173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.732173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.823167 (E_RNA)
where:
Base-Base interactions energy: -273.610
where: short stacking energy: -104.647
Base-Backbone interact. energy: 0.580
local terms energy: -137.793231
where:
bonds (distance) C4'-P energy: -28.149
bonds (distance) P-C4' energy: -33.461
flat angles C4'-P-C4' energy: -29.398
flat angles P-C4'-P energy: -17.256
tors. eta vs tors. theta energy: -29.529
Dist. restrs. and SS energy: 0.091 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -399.444260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.444260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.554145 (E_RNA)
where:
Base-Base interactions energy: -269.728
where: short stacking energy: -112.182
Base-Backbone interact. energy: 1.015
local terms energy: -130.841363
where:
bonds (distance) C4'-P energy: -26.924
bonds (distance) P-C4' energy: -26.434
flat angles C4'-P-C4' energy: -25.505
flat angles P-C4'-P energy: -19.346
tors. eta vs tors. theta energy: -32.632
Dist. restrs. and SS energy: 0.110 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -390.783985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.783985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.021903 (E_RNA)
where:
Base-Base interactions energy: -260.920
where: short stacking energy: -110.546
Base-Backbone interact. energy: -0.942
local terms energy: -129.160538
where:
bonds (distance) C4'-P energy: -21.242
bonds (distance) P-C4' energy: -27.981
flat angles C4'-P-C4' energy: -29.845
flat angles P-C4'-P energy: -19.035
tors. eta vs tors. theta energy: -31.057
Dist. restrs. and SS energy: 0.238 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -393.961115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.961115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.028030 (E_RNA)
where:
Base-Base interactions energy: -267.588
where: short stacking energy: -107.481
Base-Backbone interact. energy: -0.377
local terms energy: -126.062415
where:
bonds (distance) C4'-P energy: -23.076
bonds (distance) P-C4' energy: -24.215
flat angles C4'-P-C4' energy: -28.184
flat angles P-C4'-P energy: -19.443
tors. eta vs tors. theta energy: -31.144
Dist. restrs. and SS energy: 0.067 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -357.714679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.714679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.833850 (E_RNA)
where:
Base-Base interactions energy: -231.476
where: short stacking energy: -86.653
Base-Backbone interact. energy: -3.222
local terms energy: -123.135678
where:
bonds (distance) C4'-P energy: -25.180
bonds (distance) P-C4' energy: -29.344
flat angles C4'-P-C4' energy: -24.755
flat angles P-C4'-P energy: -18.317
tors. eta vs tors. theta energy: -25.540
Dist. restrs. and SS energy: 0.119 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -351.054106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.054106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.383296 (E_RNA)
where:
Base-Base interactions energy: -239.269
where: short stacking energy: -92.992
Base-Backbone interact. energy: 0.038
local terms energy: -112.151649
where:
bonds (distance) C4'-P energy: -22.151
bonds (distance) P-C4' energy: -22.926
flat angles C4'-P-C4' energy: -25.637
flat angles P-C4'-P energy: -17.086
tors. eta vs tors. theta energy: -24.351
Dist. restrs. and SS energy: 0.329 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -331.835919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.835919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.900734 (E_RNA)
where:
Base-Base interactions energy: -219.753
where: short stacking energy: -83.105
Base-Backbone interact. energy: -0.586
local terms energy: -111.562654
where:
bonds (distance) C4'-P energy: -19.287
bonds (distance) P-C4' energy: -26.516
flat angles C4'-P-C4' energy: -29.401
flat angles P-C4'-P energy: -17.513
tors. eta vs tors. theta energy: -18.846
Dist. restrs. and SS energy: 0.065 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -320.782261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.782261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.323001 (E_RNA)
where:
Base-Base interactions energy: -213.975
where: short stacking energy: -90.732
Base-Backbone interact. energy: -1.747
local terms energy: -105.600841
where:
bonds (distance) C4'-P energy: -22.026
bonds (distance) P-C4' energy: -20.938
flat angles C4'-P-C4' energy: -24.680
flat angles P-C4'-P energy: -20.181
tors. eta vs tors. theta energy: -17.775
Dist. restrs. and SS energy: 0.541 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -300.790151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.790151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.314678 (E_RNA)
where:
Base-Base interactions energy: -201.492
where: short stacking energy: -75.643
Base-Backbone interact. energy: -0.741
local terms energy: -99.081901
where:
bonds (distance) C4'-P energy: -26.668
bonds (distance) P-C4' energy: -19.431
flat angles C4'-P-C4' energy: -24.857
flat angles P-C4'-P energy: -12.359
tors. eta vs tors. theta energy: -15.767
Dist. restrs. and SS energy: 0.525 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -442.415019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.415019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.767380 (E_RNA)
where:
Base-Base interactions energy: -308.385
where: short stacking energy: -112.607
Base-Backbone interact. energy: -0.003
local terms energy: -134.379929
where:
bonds (distance) C4'-P energy: -23.302
bonds (distance) P-C4' energy: -29.242
flat angles C4'-P-C4' energy: -31.794
flat angles P-C4'-P energy: -16.394
tors. eta vs tors. theta energy: -33.647
Dist. restrs. and SS energy: 0.352 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -414.202338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.202338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.254106 (E_RNA)
where:
Base-Base interactions energy: -275.766
where: short stacking energy: -112.305
Base-Backbone interact. energy: -1.388
local terms energy: -137.100273
where:
bonds (distance) C4'-P energy: -23.688
bonds (distance) P-C4' energy: -31.722
flat angles C4'-P-C4' energy: -28.174
flat angles P-C4'-P energy: -18.868
tors. eta vs tors. theta energy: -34.649
Dist. restrs. and SS energy: 0.052 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -390.390696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.390696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.645783 (E_RNA)
where:
Base-Base interactions energy: -262.276
where: short stacking energy: -104.992
Base-Backbone interact. energy: -1.753
local terms energy: -126.617000
where:
bonds (distance) C4'-P energy: -29.930
bonds (distance) P-C4' energy: -22.017
flat angles C4'-P-C4' energy: -29.368
flat angles P-C4'-P energy: -17.933
tors. eta vs tors. theta energy: -27.369
Dist. restrs. and SS energy: 0.255 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -396.655362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.655362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.818846 (E_RNA)
where:
Base-Base interactions energy: -263.593
where: short stacking energy: -107.468
Base-Backbone interact. energy: 1.618
local terms energy: -134.843625
where:
bonds (distance) C4'-P energy: -23.454
bonds (distance) P-C4' energy: -29.812
flat angles C4'-P-C4' energy: -29.351
flat angles P-C4'-P energy: -22.997
tors. eta vs tors. theta energy: -29.229
Dist. restrs. and SS energy: 0.163 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -382.693206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.693206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.710325 (E_RNA)
where:
Base-Base interactions energy: -262.313
where: short stacking energy: -99.087
Base-Backbone interact. energy: -0.716
local terms energy: -119.681755
where:
bonds (distance) C4'-P energy: -23.644
bonds (distance) P-C4' energy: -25.065
flat angles C4'-P-C4' energy: -29.313
flat angles P-C4'-P energy: -15.124
tors. eta vs tors. theta energy: -26.534
Dist. restrs. and SS energy: 0.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -358.824763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.824763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.005492 (E_RNA)
where:
Base-Base interactions energy: -241.029
where: short stacking energy: -83.284
Base-Backbone interact. energy: -0.451
local terms energy: -117.525139
where:
bonds (distance) C4'-P energy: -22.830
bonds (distance) P-C4' energy: -24.762
flat angles C4'-P-C4' energy: -27.188
flat angles P-C4'-P energy: -19.288
tors. eta vs tors. theta energy: -23.457
Dist. restrs. and SS energy: 0.181 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -353.534415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.534415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.124876 (E_RNA)
where:
Base-Base interactions energy: -238.362
where: short stacking energy: -89.816
Base-Backbone interact. energy: 0.240
local terms energy: -116.003105
where:
bonds (distance) C4'-P energy: -26.451
bonds (distance) P-C4' energy: -20.968
flat angles C4'-P-C4' energy: -25.879
flat angles P-C4'-P energy: -19.006
tors. eta vs tors. theta energy: -23.699
Dist. restrs. and SS energy: 0.590 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -319.704658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.704658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.093508 (E_RNA)
where:
Base-Base interactions energy: -213.379
where: short stacking energy: -84.446
Base-Backbone interact. energy: -2.292
local terms energy: -104.422401
where:
bonds (distance) C4'-P energy: -17.261
bonds (distance) P-C4' energy: -21.851
flat angles C4'-P-C4' energy: -26.288
flat angles P-C4'-P energy: -15.906
tors. eta vs tors. theta energy: -23.116
Dist. restrs. and SS energy: 0.389 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -325.933662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.933662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.385157 (E_RNA)
where:
Base-Base interactions energy: -215.935
where: short stacking energy: -86.056
Base-Backbone interact. energy: -0.248
local terms energy: -110.202058
where:
bonds (distance) C4'-P energy: -24.395
bonds (distance) P-C4' energy: -15.389
flat angles C4'-P-C4' energy: -22.069
flat angles P-C4'-P energy: -20.700
tors. eta vs tors. theta energy: -27.650
Dist. restrs. and SS energy: 0.451 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -296.059786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.059786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.642181 (E_RNA)
where:
Base-Base interactions energy: -210.596
where: short stacking energy: -81.113
Base-Backbone interact. energy: 0.340
local terms energy: -86.386232
where:
bonds (distance) C4'-P energy: -19.060
bonds (distance) P-C4' energy: -19.594
flat angles C4'-P-C4' energy: -16.129
flat angles P-C4'-P energy: -13.900
tors. eta vs tors. theta energy: -17.703
Dist. restrs. and SS energy: 0.582 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -440.442865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.442865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.665135 (E_RNA)
where:
Base-Base interactions energy: -306.423
where: short stacking energy: -117.138
Base-Backbone interact. energy: -0.389
local terms energy: -133.852711
where:
bonds (distance) C4'-P energy: -25.646
bonds (distance) P-C4' energy: -26.356
flat angles C4'-P-C4' energy: -28.702
flat angles P-C4'-P energy: -20.078
tors. eta vs tors. theta energy: -33.070
Dist. restrs. and SS energy: 0.222 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -400.464444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.464444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.001899 (E_RNA)
where:
Base-Base interactions energy: -255.016
where: short stacking energy: -111.472
Base-Backbone interact. energy: -0.914
local terms energy: -145.072049
where:
bonds (distance) C4'-P energy: -28.030
bonds (distance) P-C4' energy: -32.446
flat angles C4'-P-C4' energy: -31.392
flat angles P-C4'-P energy: -21.106
tors. eta vs tors. theta energy: -32.098
Dist. restrs. and SS energy: 0.537 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -406.516261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.516261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.591041 (E_RNA)
where:
Base-Base interactions energy: -276.693
where: short stacking energy: -114.436
Base-Backbone interact. energy: -0.629
local terms energy: -129.269672
where:
bonds (distance) C4'-P energy: -27.466
bonds (distance) P-C4' energy: -26.407
flat angles C4'-P-C4' energy: -27.204
flat angles P-C4'-P energy: -15.331
tors. eta vs tors. theta energy: -32.862
Dist. restrs. and SS energy: 0.075 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -401.250829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.250829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.227001 (E_RNA)
where:
Base-Base interactions energy: -279.961
where: short stacking energy: -101.008
Base-Backbone interact. energy: -1.013
local terms energy: -121.253000
where:
bonds (distance) C4'-P energy: -20.614
bonds (distance) P-C4' energy: -30.128
flat angles C4'-P-C4' energy: -22.717
flat angles P-C4'-P energy: -17.489
tors. eta vs tors. theta energy: -30.305
Dist. restrs. and SS energy: 0.976 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -374.134045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.134045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.323425 (E_RNA)
where:
Base-Base interactions energy: -254.012
where: short stacking energy: -107.861
Base-Backbone interact. energy: -0.886
local terms energy: -119.425515
where:
bonds (distance) C4'-P energy: -24.524
bonds (distance) P-C4' energy: -22.995
flat angles C4'-P-C4' energy: -30.724
flat angles P-C4'-P energy: -15.197
tors. eta vs tors. theta energy: -25.986
Dist. restrs. and SS energy: 0.189 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -353.412693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.412693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.989063 (E_RNA)
where:
Base-Base interactions energy: -227.485
where: short stacking energy: -93.701
Base-Backbone interact. energy: 1.016
local terms energy: -127.519797
where:
bonds (distance) C4'-P energy: -27.813
bonds (distance) P-C4' energy: -28.100
flat angles C4'-P-C4' energy: -25.573
flat angles P-C4'-P energy: -16.358
tors. eta vs tors. theta energy: -29.675
Dist. restrs. and SS energy: 0.576 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -338.937049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.937049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.684302 (E_RNA)
where:
Base-Base interactions energy: -223.296
where: short stacking energy: -88.166
Base-Backbone interact. energy: -0.837
local terms energy: -115.551426
where:
bonds (distance) C4'-P energy: -22.264
bonds (distance) P-C4' energy: -20.630
flat angles C4'-P-C4' energy: -31.840
flat angles P-C4'-P energy: -19.785
tors. eta vs tors. theta energy: -21.032
Dist. restrs. and SS energy: 0.747 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -343.561898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.561898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.017926 (E_RNA)
where:
Base-Base interactions energy: -236.317
where: short stacking energy: -90.629
Base-Backbone interact. energy: 0.409
local terms energy: -108.110295
where:
bonds (distance) C4'-P energy: -23.167
bonds (distance) P-C4' energy: -22.136
flat angles C4'-P-C4' energy: -25.238
flat angles P-C4'-P energy: -16.860
tors. eta vs tors. theta energy: -20.710
Dist. restrs. and SS energy: 0.456 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -331.479215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.479215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.570936 (E_RNA)
where:
Base-Base interactions energy: -221.033
where: short stacking energy: -78.028
Base-Backbone interact. energy: -0.381
local terms energy: -110.156524
where:
bonds (distance) C4'-P energy: -23.347
bonds (distance) P-C4' energy: -25.675
flat angles C4'-P-C4' energy: -20.259
flat angles P-C4'-P energy: -13.722
tors. eta vs tors. theta energy: -27.154
Dist. restrs. and SS energy: 0.092 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -310.032050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.032050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.264829 (E_RNA)
where:
Base-Base interactions energy: -215.333
where: short stacking energy: -79.218
Base-Backbone interact. energy: 1.050
local terms energy: -95.981909
where:
bonds (distance) C4'-P energy: -23.372
bonds (distance) P-C4' energy: -20.784
flat angles C4'-P-C4' energy: -22.372
flat angles P-C4'-P energy: -9.217
tors. eta vs tors. theta energy: -20.237
Dist. restrs. and SS energy: 0.233 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -436.894060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.894060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.913013 (E_RNA)
where:
Base-Base interactions energy: -301.875
where: short stacking energy: -106.618
Base-Backbone interact. energy: -0.269
local terms energy: -134.769503
where:
bonds (distance) C4'-P energy: -31.537
bonds (distance) P-C4' energy: -30.756
flat angles C4'-P-C4' energy: -28.522
flat angles P-C4'-P energy: -16.155
tors. eta vs tors. theta energy: -27.799
Dist. restrs. and SS energy: 0.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -401.042311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.042311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.203856 (E_RNA)
where:
Base-Base interactions energy: -267.117
where: short stacking energy: -112.389
Base-Backbone interact. energy: -3.240
local terms energy: -130.846500
where:
bonds (distance) C4'-P energy: -22.032
bonds (distance) P-C4' energy: -26.372
flat angles C4'-P-C4' energy: -29.255
flat angles P-C4'-P energy: -22.028
tors. eta vs tors. theta energy: -31.159
Dist. restrs. and SS energy: 0.162 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -402.323410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.323410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.609221 (E_RNA)
where:
Base-Base interactions energy: -267.910
where: short stacking energy: -115.475
Base-Backbone interact. energy: -0.208
local terms energy: -134.490698
where:
bonds (distance) C4'-P energy: -27.049
bonds (distance) P-C4' energy: -27.670
flat angles C4'-P-C4' energy: -26.839
flat angles P-C4'-P energy: -20.537
tors. eta vs tors. theta energy: -32.395
Dist. restrs. and SS energy: 0.286 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -379.680604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.680604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.377808 (E_RNA)
where:
Base-Base interactions energy: -251.083
where: short stacking energy: -106.158
Base-Backbone interact. energy: -0.062
local terms energy: -129.232838
where:
bonds (distance) C4'-P energy: -23.773
bonds (distance) P-C4' energy: -30.302
flat angles C4'-P-C4' energy: -28.560
flat angles P-C4'-P energy: -15.355
tors. eta vs tors. theta energy: -31.243
Dist. restrs. and SS energy: 0.697 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -373.934866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.934866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.298838 (E_RNA)
where:
Base-Base interactions energy: -249.649
where: short stacking energy: -94.717
Base-Backbone interact. energy: 0.626
local terms energy: -125.275961
where:
bonds (distance) C4'-P energy: -28.239
bonds (distance) P-C4' energy: -24.848
flat angles C4'-P-C4' energy: -28.571
flat angles P-C4'-P energy: -14.836
tors. eta vs tors. theta energy: -28.783
Dist. restrs. and SS energy: 0.364 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -355.716227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.716227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.098155 (E_RNA)
where:
Base-Base interactions energy: -228.448
where: short stacking energy: -97.015
Base-Backbone interact. energy: -0.869
local terms energy: -126.781103
where:
bonds (distance) C4'-P energy: -25.187
bonds (distance) P-C4' energy: -29.020
flat angles C4'-P-C4' energy: -24.240
flat angles P-C4'-P energy: -20.675
tors. eta vs tors. theta energy: -27.660
Dist. restrs. and SS energy: 0.382 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -327.587204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.587204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.740455 (E_RNA)
where:
Base-Base interactions energy: -221.889
where: short stacking energy: -84.498
Base-Backbone interact. energy: 0.309
local terms energy: -106.161263
where:
bonds (distance) C4'-P energy: -23.645
bonds (distance) P-C4' energy: -26.773
flat angles C4'-P-C4' energy: -20.717
flat angles P-C4'-P energy: -14.684
tors. eta vs tors. theta energy: -20.342
Dist. restrs. and SS energy: 0.153 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -342.889244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.889244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.566123 (E_RNA)
where:
Base-Base interactions energy: -221.056
where: short stacking energy: -86.677
Base-Backbone interact. energy: -0.294
local terms energy: -122.216110
where:
bonds (distance) C4'-P energy: -29.832
bonds (distance) P-C4' energy: -22.873
flat angles C4'-P-C4' energy: -19.078
flat angles P-C4'-P energy: -18.970
tors. eta vs tors. theta energy: -31.463
Dist. restrs. and SS energy: 0.677 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -317.729956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.729956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.965860 (E_RNA)
where:
Base-Base interactions energy: -214.071
where: short stacking energy: -76.754
Base-Backbone interact. energy: -0.259
local terms energy: -103.635698
where:
bonds (distance) C4'-P energy: -21.832
bonds (distance) P-C4' energy: -24.946
flat angles C4'-P-C4' energy: -22.289
flat angles P-C4'-P energy: -15.171
tors. eta vs tors. theta energy: -19.398
Dist. restrs. and SS energy: 0.236 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -324.822009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.822009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.525470 (E_RNA)
where:
Base-Base interactions energy: -220.463
where: short stacking energy: -84.145
Base-Backbone interact. energy: -0.362
local terms energy: -104.700782
where:
bonds (distance) C4'-P energy: -26.015
bonds (distance) P-C4' energy: -18.672
flat angles C4'-P-C4' energy: -22.947
flat angles P-C4'-P energy: -14.434
tors. eta vs tors. theta energy: -22.632
Dist. restrs. and SS energy: 0.703 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -434.873152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.873152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.331380 (E_RNA)
where:
Base-Base interactions energy: -300.756
where: short stacking energy: -109.656
Base-Backbone interact. energy: -0.355
local terms energy: -134.220832
where:
bonds (distance) C4'-P energy: -29.650
bonds (distance) P-C4' energy: -25.101
flat angles C4'-P-C4' energy: -28.541
flat angles P-C4'-P energy: -18.617
tors. eta vs tors. theta energy: -32.311
Dist. restrs. and SS energy: 0.458 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -404.348820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.348820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.458745 (E_RNA)
where:
Base-Base interactions energy: -269.130
where: short stacking energy: -110.651
Base-Backbone interact. energy: 0.247
local terms energy: -135.575265
where:
bonds (distance) C4'-P energy: -26.117
bonds (distance) P-C4' energy: -29.106
flat angles C4'-P-C4' energy: -31.553
flat angles P-C4'-P energy: -17.433
tors. eta vs tors. theta energy: -31.366
Dist. restrs. and SS energy: 0.110 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -393.634157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.634157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.975647 (E_RNA)
where:
Base-Base interactions energy: -265.884
where: short stacking energy: -115.793
Base-Backbone interact. energy: -0.049
local terms energy: -128.042924
where:
bonds (distance) C4'-P energy: -18.344
bonds (distance) P-C4' energy: -27.462
flat angles C4'-P-C4' energy: -29.356
flat angles P-C4'-P energy: -19.334
tors. eta vs tors. theta energy: -33.547
Dist. restrs. and SS energy: 0.341 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -392.356495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.356495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.471285 (E_RNA)
where:
Base-Base interactions energy: -258.377
where: short stacking energy: -89.134
Base-Backbone interact. energy: -0.571
local terms energy: -133.522808
where:
bonds (distance) C4'-P energy: -24.867
bonds (distance) P-C4' energy: -27.611
flat angles C4'-P-C4' energy: -32.715
flat angles P-C4'-P energy: -18.428
tors. eta vs tors. theta energy: -29.902
Dist. restrs. and SS energy: 0.115 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -378.991793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.991793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.204068 (E_RNA)
where:
Base-Base interactions energy: -255.069
where: short stacking energy: -97.624
Base-Backbone interact. energy: -2.646
local terms energy: -121.489365
where:
bonds (distance) C4'-P energy: -22.579
bonds (distance) P-C4' energy: -20.583
flat angles C4'-P-C4' energy: -28.680
flat angles P-C4'-P energy: -21.378
tors. eta vs tors. theta energy: -28.269
Dist. restrs. and SS energy: 0.212 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -336.065472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.065472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.260901 (E_RNA)
where:
Base-Base interactions energy: -216.451
where: short stacking energy: -93.420
Base-Backbone interact. energy: -1.033
local terms energy: -118.777311
where:
bonds (distance) C4'-P energy: -20.621
bonds (distance) P-C4' energy: -25.076
flat angles C4'-P-C4' energy: -26.210
flat angles P-C4'-P energy: -19.739
tors. eta vs tors. theta energy: -27.131
Dist. restrs. and SS energy: 0.195 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -356.703792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.703792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.352876 (E_RNA)
where:
Base-Base interactions energy: -234.993
where: short stacking energy: -97.096
Base-Backbone interact. energy: -0.194
local terms energy: -122.166541
where:
bonds (distance) C4'-P energy: -25.740
bonds (distance) P-C4' energy: -30.366
flat angles C4'-P-C4' energy: -25.915
flat angles P-C4'-P energy: -13.596
tors. eta vs tors. theta energy: -26.549
Dist. restrs. and SS energy: 0.649 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -336.740201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.740201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.859217 (E_RNA)
where:
Base-Base interactions energy: -235.153
where: short stacking energy: -93.171
Base-Backbone interact. energy: 0.074
local terms energy: -101.780611
where:
bonds (distance) C4'-P energy: -14.134
bonds (distance) P-C4' energy: -22.663
flat angles C4'-P-C4' energy: -20.623
flat angles P-C4'-P energy: -14.653
tors. eta vs tors. theta energy: -29.708
Dist. restrs. and SS energy: 0.119 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -331.502568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.502568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.754594 (E_RNA)
where:
Base-Base interactions energy: -220.759
where: short stacking energy: -92.667
Base-Backbone interact. energy: -0.350
local terms energy: -110.645912
where:
bonds (distance) C4'-P energy: -29.235
bonds (distance) P-C4' energy: -10.421
flat angles C4'-P-C4' energy: -30.532
flat angles P-C4'-P energy: -17.257
tors. eta vs tors. theta energy: -23.200
Dist. restrs. and SS energy: 0.252 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -341.977986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.977986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.247495 (E_RNA)
where:
Base-Base interactions energy: -229.144
where: short stacking energy: -92.675
Base-Backbone interact. energy: -0.302
local terms energy: -112.801756
where:
bonds (distance) C4'-P energy: -19.067
bonds (distance) P-C4' energy: -24.891
flat angles C4'-P-C4' energy: -21.901
flat angles P-C4'-P energy: -19.047
tors. eta vs tors. theta energy: -27.896
Dist. restrs. and SS energy: 0.270 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -440.479959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.479959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.754570 (E_RNA)
where:
Base-Base interactions energy: -298.073
where: short stacking energy: -110.259
Base-Backbone interact. energy: -0.330
local terms energy: -142.352097
where:
bonds (distance) C4'-P energy: -27.687
bonds (distance) P-C4' energy: -31.331
flat angles C4'-P-C4' energy: -30.689
flat angles P-C4'-P energy: -16.168
tors. eta vs tors. theta energy: -36.477
Dist. restrs. and SS energy: 0.275 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -401.473576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.473576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.523288 (E_RNA)
where:
Base-Base interactions energy: -263.875
where: short stacking energy: -108.272
Base-Backbone interact. energy: -0.728
local terms energy: -136.920656
where:
bonds (distance) C4'-P energy: -25.923
bonds (distance) P-C4' energy: -29.008
flat angles C4'-P-C4' energy: -29.638
flat angles P-C4'-P energy: -17.761
tors. eta vs tors. theta energy: -34.591
Dist. restrs. and SS energy: 0.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -397.427733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.427733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.798819 (E_RNA)
where:
Base-Base interactions energy: -271.661
where: short stacking energy: -109.997
Base-Backbone interact. energy: -0.538
local terms energy: -125.600015
where:
bonds (distance) C4'-P energy: -28.911
bonds (distance) P-C4' energy: -21.370
flat angles C4'-P-C4' energy: -30.648
flat angles P-C4'-P energy: -14.987
tors. eta vs tors. theta energy: -29.683
Dist. restrs. and SS energy: 0.371 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -398.623712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.623712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.696655 (E_RNA)
where:
Base-Base interactions energy: -271.158
where: short stacking energy: -105.962
Base-Backbone interact. energy: -1.174
local terms energy: -126.365386
where:
bonds (distance) C4'-P energy: -21.191
bonds (distance) P-C4' energy: -26.957
flat angles C4'-P-C4' energy: -28.020
flat angles P-C4'-P energy: -19.191
tors. eta vs tors. theta energy: -31.006
Dist. restrs. and SS energy: 0.073 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -381.799276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.799276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.839163 (E_RNA)
where:
Base-Base interactions energy: -257.348
where: short stacking energy: -102.497
Base-Backbone interact. energy: -0.150
local terms energy: -124.341245
where:
bonds (distance) C4'-P energy: -23.307
bonds (distance) P-C4' energy: -20.467
flat angles C4'-P-C4' energy: -32.485
flat angles P-C4'-P energy: -14.611
tors. eta vs tors. theta energy: -33.470
Dist. restrs. and SS energy: 0.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -386.110422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.110422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.250256 (E_RNA)
where:
Base-Base interactions energy: -259.907
where: short stacking energy: -105.048
Base-Backbone interact. energy: -0.224
local terms energy: -126.119691
where:
bonds (distance) C4'-P energy: -29.213
bonds (distance) P-C4' energy: -31.095
flat angles C4'-P-C4' energy: -21.557
flat angles P-C4'-P energy: -16.978
tors. eta vs tors. theta energy: -27.276
Dist. restrs. and SS energy: 0.140 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -340.323158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.323158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.771503 (E_RNA)
where:
Base-Base interactions energy: -231.064
where: short stacking energy: -104.523
Base-Backbone interact. energy: -0.504
local terms energy: -109.203581
where:
bonds (distance) C4'-P energy: -20.898
bonds (distance) P-C4' energy: -26.760
flat angles C4'-P-C4' energy: -22.656
flat angles P-C4'-P energy: -16.066
tors. eta vs tors. theta energy: -22.824
Dist. restrs. and SS energy: 0.448 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -342.009731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.009731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.086244 (E_RNA)
where:
Base-Base interactions energy: -227.036
where: short stacking energy: -92.934
Base-Backbone interact. energy: 0.776
local terms energy: -116.825888
where:
bonds (distance) C4'-P energy: -23.784
bonds (distance) P-C4' energy: -22.513
flat angles C4'-P-C4' energy: -26.318
flat angles P-C4'-P energy: -12.146
tors. eta vs tors. theta energy: -32.064
Dist. restrs. and SS energy: 1.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -319.422284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.422284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.539145 (E_RNA)
where:
Base-Base interactions energy: -215.623
where: short stacking energy: -84.744
Base-Backbone interact. energy: -0.095
local terms energy: -103.821312
where:
bonds (distance) C4'-P energy: -21.905
bonds (distance) P-C4' energy: -23.344
flat angles C4'-P-C4' energy: -25.238
flat angles P-C4'-P energy: -10.276
tors. eta vs tors. theta energy: -23.059
Dist. restrs. and SS energy: 0.117 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -331.350868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.350868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.066626 (E_RNA)
where:
Base-Base interactions energy: -228.722
where: short stacking energy: -85.443
Base-Backbone interact. energy: 2.986
local terms energy: -106.331182
where:
bonds (distance) C4'-P energy: -25.805
bonds (distance) P-C4' energy: -21.155
flat angles C4'-P-C4' energy: -20.179
flat angles P-C4'-P energy: -14.307
tors. eta vs tors. theta energy: -24.884
Dist. restrs. and SS energy: 0.716 (S_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: 414
Temperature: 0.900000
Total energy: -435.169128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.169128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.946217 (E_RNA)
where:
Base-Base interactions energy: -301.326
where: short stacking energy: -114.917
Base-Backbone interact. energy: -0.650
local terms energy: -133.970702
where:
bonds (distance) C4'-P energy: -25.203
bonds (distance) P-C4' energy: -28.943
flat angles C4'-P-C4' energy: -26.230
flat angles P-C4'-P energy: -20.224
tors. eta vs tors. theta energy: -33.370
Dist. restrs. and SS energy: 0.777 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -399.831777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.831777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.295729 (E_RNA)
where:
Base-Base interactions energy: -269.668
where: short stacking energy: -109.005
Base-Backbone interact. energy: -0.425
local terms energy: -130.203281
where:
bonds (distance) C4'-P energy: -24.656
bonds (distance) P-C4' energy: -25.696
flat angles C4'-P-C4' energy: -29.607
flat angles P-C4'-P energy: -17.369
tors. eta vs tors. theta energy: -32.875
Dist. restrs. and SS energy: 0.464 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -405.627376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.627376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.770903 (E_RNA)
where:
Base-Base interactions energy: -280.249
where: short stacking energy: -110.297
Base-Backbone interact. energy: -2.666
local terms energy: -122.856125
where:
bonds (distance) C4'-P energy: -26.494
bonds (distance) P-C4' energy: -27.397
flat angles C4'-P-C4' energy: -24.894
flat angles P-C4'-P energy: -10.418
tors. eta vs tors. theta energy: -33.653
Dist. restrs. and SS energy: 0.144 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -386.877423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.877423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.187070 (E_RNA)
where:
Base-Base interactions energy: -262.304
where: short stacking energy: -110.818
Base-Backbone interact. energy: 0.598
local terms energy: -125.481124
where:
bonds (distance) C4'-P energy: -17.197
bonds (distance) P-C4' energy: -26.269
flat angles C4'-P-C4' energy: -32.648
flat angles P-C4'-P energy: -18.424
tors. eta vs tors. theta energy: -30.943
Dist. restrs. and SS energy: 0.310 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -370.664300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.664300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.739984 (E_RNA)
where:
Base-Base interactions energy: -258.518
where: short stacking energy: -102.305
Base-Backbone interact. energy: -0.209
local terms energy: -113.012749
where:
bonds (distance) C4'-P energy: -19.404
bonds (distance) P-C4' energy: -27.420
flat angles C4'-P-C4' energy: -19.670
flat angles P-C4'-P energy: -15.320
tors. eta vs tors. theta energy: -31.199
Dist. restrs. and SS energy: 1.076 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -358.811545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.811545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.838852 (E_RNA)
where:
Base-Base interactions energy: -234.158
where: short stacking energy: -93.504
Base-Backbone interact. energy: -0.228
local terms energy: -124.453096
where:
bonds (distance) C4'-P energy: -30.965
bonds (distance) P-C4' energy: -28.428
flat angles C4'-P-C4' energy: -22.438
flat angles P-C4'-P energy: -17.723
tors. eta vs tors. theta energy: -24.899
Dist. restrs. and SS energy: 0.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -342.553056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.553056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.722579 (E_RNA)
where:
Base-Base interactions energy: -236.890
where: short stacking energy: -84.086
Base-Backbone interact. energy: 3.126
local terms energy: -108.957798
where:
bonds (distance) C4'-P energy: -23.048
bonds (distance) P-C4' energy: -21.911
flat angles C4'-P-C4' energy: -23.588
flat angles P-C4'-P energy: -18.210
tors. eta vs tors. theta energy: -22.201
Dist. restrs. and SS energy: 0.170 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -326.210216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.210216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.669084 (E_RNA)
where:
Base-Base interactions energy: -216.196
where: short stacking energy: -86.566
Base-Backbone interact. energy: -2.423
local terms energy: -108.050083
where:
bonds (distance) C4'-P energy: -22.715
bonds (distance) P-C4' energy: -26.018
flat angles C4'-P-C4' energy: -25.610
flat angles P-C4'-P energy: -10.993
tors. eta vs tors. theta energy: -22.713
Dist. restrs. and SS energy: 0.459 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -337.046521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.046521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.317736 (E_RNA)
where:
Base-Base interactions energy: -226.570
where: short stacking energy: -87.500
Base-Backbone interact. energy: -0.638
local terms energy: -110.110108
where:
bonds (distance) C4'-P energy: -25.396
bonds (distance) P-C4' energy: -21.028
flat angles C4'-P-C4' energy: -22.802
flat angles P-C4'-P energy: -19.658
tors. eta vs tors. theta energy: -21.227
Dist. restrs. and SS energy: 0.271 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -329.492498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.492498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.823778 (E_RNA)
where:
Base-Base interactions energy: -232.594
where: short stacking energy: -83.998
Base-Backbone interact. energy: -0.650
local terms energy: -96.579338
where:
bonds (distance) C4'-P energy: -15.466
bonds (distance) P-C4' energy: -21.329
flat angles C4'-P-C4' energy: -22.909
flat angles P-C4'-P energy: -16.802
tors. eta vs tors. theta energy: -20.074
Dist. restrs. and SS energy: 0.331 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -440.793933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.793933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.267375 (E_RNA)
where:
Base-Base interactions energy: -305.481
where: short stacking energy: -115.519
Base-Backbone interact. energy: 0.253
local terms energy: -136.039042
where:
bonds (distance) C4'-P energy: -24.937
bonds (distance) P-C4' energy: -27.610
flat angles C4'-P-C4' energy: -28.672
flat angles P-C4'-P energy: -21.462
tors. eta vs tors. theta energy: -33.359
Dist. restrs. and SS energy: 0.473 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -410.969983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.969983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.162463 (E_RNA)
where:
Base-Base interactions energy: -277.553
where: short stacking energy: -116.401
Base-Backbone interact. energy: -0.869
local terms energy: -132.740263
where:
bonds (distance) C4'-P energy: -19.481
bonds (distance) P-C4' energy: -25.714
flat angles C4'-P-C4' energy: -31.912
flat angles P-C4'-P energy: -21.087
tors. eta vs tors. theta energy: -34.547
Dist. restrs. and SS energy: 0.192 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -398.402133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.402133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.477603 (E_RNA)
where:
Base-Base interactions energy: -269.891
where: short stacking energy: -102.054
Base-Backbone interact. energy: -1.058
local terms energy: -127.528145
where:
bonds (distance) C4'-P energy: -26.740
bonds (distance) P-C4' energy: -27.715
flat angles C4'-P-C4' energy: -25.550
flat angles P-C4'-P energy: -16.865
tors. eta vs tors. theta energy: -30.659
Dist. restrs. and SS energy: 0.075 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -375.781453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.781453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.845774 (E_RNA)
where:
Base-Base interactions energy: -256.235
where: short stacking energy: -89.425
Base-Backbone interact. energy: -0.397
local terms energy: -119.214291
where:
bonds (distance) C4'-P energy: -26.148
bonds (distance) P-C4' energy: -25.235
flat angles C4'-P-C4' energy: -27.609
flat angles P-C4'-P energy: -15.136
tors. eta vs tors. theta energy: -25.086
Dist. restrs. and SS energy: 0.064 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -374.641469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.641469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.993468 (E_RNA)
where:
Base-Base interactions energy: -245.524
where: short stacking energy: -101.366
Base-Backbone interact. energy: -3.003
local terms energy: -126.467045
where:
bonds (distance) C4'-P energy: -26.665
bonds (distance) P-C4' energy: -26.685
flat angles C4'-P-C4' energy: -28.664
flat angles P-C4'-P energy: -16.178
tors. eta vs tors. theta energy: -28.276
Dist. restrs. and SS energy: 0.352 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -354.463820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.463820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.629081 (E_RNA)
where:
Base-Base interactions energy: -235.006
where: short stacking energy: -85.948
Base-Backbone interact. energy: -0.322
local terms energy: -119.301099
where:
bonds (distance) C4'-P energy: -22.486
bonds (distance) P-C4' energy: -18.866
flat angles C4'-P-C4' energy: -30.060
flat angles P-C4'-P energy: -22.292
tors. eta vs tors. theta energy: -25.597
Dist. restrs. and SS energy: 0.165 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -347.684430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.684430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.966903 (E_RNA)
where:
Base-Base interactions energy: -227.726
where: short stacking energy: -98.198
Base-Backbone interact. energy: -0.719
local terms energy: -119.521933
where:
bonds (distance) C4'-P energy: -20.081
bonds (distance) P-C4' energy: -28.597
flat angles C4'-P-C4' energy: -27.132
flat angles P-C4'-P energy: -14.970
tors. eta vs tors. theta energy: -28.742
Dist. restrs. and SS energy: 0.282 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -341.783850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.783850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.566664 (E_RNA)
where:
Base-Base interactions energy: -237.563
where: short stacking energy: -83.042
Base-Backbone interact. energy: -0.193
local terms energy: -104.810244
where:
bonds (distance) C4'-P energy: -19.769
bonds (distance) P-C4' energy: -24.791
flat angles C4'-P-C4' energy: -25.923
flat angles P-C4'-P energy: -12.246
tors. eta vs tors. theta energy: -22.081
Dist. restrs. and SS energy: 0.783 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -342.970792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.970792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.236938 (E_RNA)
where:
Base-Base interactions energy: -230.746
where: short stacking energy: -97.999
Base-Backbone interact. energy: -0.785
local terms energy: -111.705811
where:
bonds (distance) C4'-P energy: -22.127
bonds (distance) P-C4' energy: -22.657
flat angles C4'-P-C4' energy: -25.098
flat angles P-C4'-P energy: -17.799
tors. eta vs tors. theta energy: -24.024
Dist. restrs. and SS energy: 0.266 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -300.661032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.661032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.971765 (E_RNA)
where:
Base-Base interactions energy: -208.830
where: short stacking energy: -82.315
Base-Backbone interact. energy: -0.418
local terms energy: -91.723872
where:
bonds (distance) C4'-P energy: -30.296
bonds (distance) P-C4' energy: -16.560
flat angles C4'-P-C4' energy: -18.698
flat angles P-C4'-P energy: -6.857
tors. eta vs tors. theta energy: -19.312
Dist. restrs. and SS energy: 0.311 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -433.041129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.041129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.487656 (E_RNA)
where:
Base-Base interactions energy: -300.568
where: short stacking energy: -115.710
Base-Backbone interact. energy: 1.767
local terms energy: -134.686548
where:
bonds (distance) C4'-P energy: -28.078
bonds (distance) P-C4' energy: -26.583
flat angles C4'-P-C4' energy: -28.949
flat angles P-C4'-P energy: -19.817
tors. eta vs tors. theta energy: -31.259
Dist. restrs. and SS energy: 0.447 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -413.647528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.647528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.894424 (E_RNA)
where:
Base-Base interactions energy: -278.002
where: short stacking energy: -107.025
Base-Backbone interact. energy: -0.347
local terms energy: -135.544587
where:
bonds (distance) C4'-P energy: -25.848
bonds (distance) P-C4' energy: -31.697
flat angles C4'-P-C4' energy: -25.471
flat angles P-C4'-P energy: -19.894
tors. eta vs tors. theta energy: -32.635
Dist. restrs. and SS energy: 0.247 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -386.760240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.760240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.449160 (E_RNA)
where:
Base-Base interactions energy: -256.996
where: short stacking energy: -105.222
Base-Backbone interact. energy: -0.453
local terms energy: -129.999721
where:
bonds (distance) C4'-P energy: -23.149
bonds (distance) P-C4' energy: -26.357
flat angles C4'-P-C4' energy: -30.368
flat angles P-C4'-P energy: -19.102
tors. eta vs tors. theta energy: -31.024
Dist. restrs. and SS energy: 0.689 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -386.189417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.189417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.464132 (E_RNA)
where:
Base-Base interactions energy: -255.373
where: short stacking energy: -96.593
Base-Backbone interact. energy: -0.178
local terms energy: -130.912527
where:
bonds (distance) C4'-P energy: -23.545
bonds (distance) P-C4' energy: -30.250
flat angles C4'-P-C4' energy: -26.482
flat angles P-C4'-P energy: -16.309
tors. eta vs tors. theta energy: -34.327
Dist. restrs. and SS energy: 0.275 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -370.781010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.781010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.901017 (E_RNA)
where:
Base-Base interactions energy: -249.927
where: short stacking energy: -100.792
Base-Backbone interact. energy: -0.238
local terms energy: -120.736621
where:
bonds (distance) C4'-P energy: -26.394
bonds (distance) P-C4' energy: -30.262
flat angles C4'-P-C4' energy: -21.949
flat angles P-C4'-P energy: -16.346
tors. eta vs tors. theta energy: -25.785
Dist. restrs. and SS energy: 0.120 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -362.570920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.570920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.714511 (E_RNA)
where:
Base-Base interactions energy: -250.585
where: short stacking energy: -97.865
Base-Backbone interact. energy: -2.557
local terms energy: -109.572423
where:
bonds (distance) C4'-P energy: -16.480
bonds (distance) P-C4' energy: -26.996
flat angles C4'-P-C4' energy: -29.260
flat angles P-C4'-P energy: -14.641
tors. eta vs tors. theta energy: -22.196
Dist. restrs. and SS energy: 0.144 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -359.832665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.832665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.992438 (E_RNA)
where:
Base-Base interactions energy: -237.839
where: short stacking energy: -91.558
Base-Backbone interact. energy: -1.963
local terms energy: -120.190519
where:
bonds (distance) C4'-P energy: -26.826
bonds (distance) P-C4' energy: -30.799
flat angles C4'-P-C4' energy: -17.793
flat angles P-C4'-P energy: -19.491
tors. eta vs tors. theta energy: -25.282
Dist. restrs. and SS energy: 0.160 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -349.354489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.354489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.764015 (E_RNA)
where:
Base-Base interactions energy: -234.528
where: short stacking energy: -96.417
Base-Backbone interact. energy: 1.549
local terms energy: -116.785294
where:
bonds (distance) C4'-P energy: -21.140
bonds (distance) P-C4' energy: -26.334
flat angles C4'-P-C4' energy: -26.959
flat angles P-C4'-P energy: -16.017
tors. eta vs tors. theta energy: -26.335
Dist. restrs. and SS energy: 0.410 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -337.866376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.866376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.997644 (E_RNA)
where:
Base-Base interactions energy: -226.046
where: short stacking energy: -83.642
Base-Backbone interact. energy: -0.950
local terms energy: -111.000965
where:
bonds (distance) C4'-P energy: -26.965
bonds (distance) P-C4' energy: -25.137
flat angles C4'-P-C4' energy: -20.479
flat angles P-C4'-P energy: -18.998
tors. eta vs tors. theta energy: -19.421
Dist. restrs. and SS energy: 0.131 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -268.734750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.734750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.199726 (E_RNA)
where:
Base-Base interactions energy: -163.528
where: short stacking energy: -62.531
Base-Backbone interact. energy: -0.396
local terms energy: -109.275501
where:
bonds (distance) C4'-P energy: -25.492
bonds (distance) P-C4' energy: -23.897
flat angles C4'-P-C4' energy: -28.727
flat angles P-C4'-P energy: -13.186
tors. eta vs tors. theta energy: -17.972
Dist. restrs. and SS energy: 4.465 (S_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: 417
Temperature: 0.900000
Total energy: -441.874883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.874883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.393475 (E_RNA)
where:
Base-Base interactions energy: -305.497
where: short stacking energy: -120.045
Base-Backbone interact. energy: -0.370
local terms energy: -136.526720
where:
bonds (distance) C4'-P energy: -28.059
bonds (distance) P-C4' energy: -27.325
flat angles C4'-P-C4' energy: -26.063
flat angles P-C4'-P energy: -20.371
tors. eta vs tors. theta energy: -34.709
Dist. restrs. and SS energy: 0.519 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -411.810768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.810768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.298069 (E_RNA)
where:
Base-Base interactions energy: -284.288
where: short stacking energy: -123.034
Base-Backbone interact. energy: -0.282
local terms energy: -127.727492
where:
bonds (distance) C4'-P energy: -28.344
bonds (distance) P-C4' energy: -29.522
flat angles C4'-P-C4' energy: -25.175
flat angles P-C4'-P energy: -15.448
tors. eta vs tors. theta energy: -29.239
Dist. restrs. and SS energy: 0.487 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -380.967284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.967284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.814286 (E_RNA)
where:
Base-Base interactions energy: -248.573
where: short stacking energy: -98.364
Base-Backbone interact. energy: -0.401
local terms energy: -132.840769
where:
bonds (distance) C4'-P energy: -29.176
bonds (distance) P-C4' energy: -25.450
flat angles C4'-P-C4' energy: -28.716
flat angles P-C4'-P energy: -17.440
tors. eta vs tors. theta energy: -32.059
Dist. restrs. and SS energy: 0.847 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -387.275528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.275528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.385505 (E_RNA)
where:
Base-Base interactions energy: -262.262
where: short stacking energy: -114.787
Base-Backbone interact. energy: -0.430
local terms energy: -124.692936
where:
bonds (distance) C4'-P energy: -24.376
bonds (distance) P-C4' energy: -20.583
flat angles C4'-P-C4' energy: -28.067
flat angles P-C4'-P energy: -20.704
tors. eta vs tors. theta energy: -30.963
Dist. restrs. and SS energy: 0.110 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -366.429572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.429572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.669903 (E_RNA)
where:
Base-Base interactions energy: -251.826
where: short stacking energy: -98.976
Base-Backbone interact. energy: -0.266
local terms energy: -114.577509
where:
bonds (distance) C4'-P energy: -21.328
bonds (distance) P-C4' energy: -23.128
flat angles C4'-P-C4' energy: -29.670
flat angles P-C4'-P energy: -14.544
tors. eta vs tors. theta energy: -25.908
Dist. restrs. and SS energy: 0.240 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -365.585606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.585606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.125497 (E_RNA)
where:
Base-Base interactions energy: -235.238
where: short stacking energy: -92.861
Base-Backbone interact. energy: -1.765
local terms energy: -129.122471
where:
bonds (distance) C4'-P energy: -25.892
bonds (distance) P-C4' energy: -28.621
flat angles C4'-P-C4' energy: -34.361
flat angles P-C4'-P energy: -15.409
tors. eta vs tors. theta energy: -24.841
Dist. restrs. and SS energy: 0.540 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -336.144201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.144201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.816784 (E_RNA)
where:
Base-Base interactions energy: -226.009
where: short stacking energy: -93.222
Base-Backbone interact. energy: -1.080
local terms energy: -109.727949
where:
bonds (distance) C4'-P energy: -23.136
bonds (distance) P-C4' energy: -25.148
flat angles C4'-P-C4' energy: -22.836
flat angles P-C4'-P energy: -11.403
tors. eta vs tors. theta energy: -27.204
Dist. restrs. and SS energy: 0.673 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -348.786698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.786698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.100061 (E_RNA)
where:
Base-Base interactions energy: -233.554
where: short stacking energy: -94.740
Base-Backbone interact. energy: 0.681
local terms energy: -116.226794
where:
bonds (distance) C4'-P energy: -20.023
bonds (distance) P-C4' energy: -20.747
flat angles C4'-P-C4' energy: -25.334
flat angles P-C4'-P energy: -20.283
tors. eta vs tors. theta energy: -29.841
Dist. restrs. and SS energy: 0.313 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -324.892805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.892805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.936306 (E_RNA)
where:
Base-Base interactions energy: -215.341
where: short stacking energy: -87.044
Base-Backbone interact. energy: -0.859
local terms energy: -109.737014
where:
bonds (distance) C4'-P energy: -22.283
bonds (distance) P-C4' energy: -26.621
flat angles C4'-P-C4' energy: -23.050
flat angles P-C4'-P energy: -12.140
tors. eta vs tors. theta energy: -25.643
Dist. restrs. and SS energy: 1.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -286.962880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.962880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.121558 (E_RNA)
where:
Base-Base interactions energy: -200.174
where: short stacking energy: -63.847
Base-Backbone interact. energy: -0.856
local terms energy: -87.091754
where:
bonds (distance) C4'-P energy: -18.016
bonds (distance) P-C4' energy: -21.176
flat angles C4'-P-C4' energy: -18.603
flat angles P-C4'-P energy: -13.638
tors. eta vs tors. theta energy: -15.658
Dist. restrs. and SS energy: 1.159 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -448.624079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.624079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.146298 (E_RNA)
where:
Base-Base interactions energy: -312.006
where: short stacking energy: -112.549
Base-Backbone interact. energy: 1.671
local terms energy: -138.811630
where:
bonds (distance) C4'-P energy: -30.075
bonds (distance) P-C4' energy: -27.928
flat angles C4'-P-C4' energy: -28.939
flat angles P-C4'-P energy: -20.658
tors. eta vs tors. theta energy: -31.212
Dist. restrs. and SS energy: 0.522 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -410.002513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.002513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.305757 (E_RNA)
where:
Base-Base interactions energy: -273.759
where: short stacking energy: -109.516
Base-Backbone interact. energy: -0.299
local terms energy: -136.247715
where:
bonds (distance) C4'-P energy: -28.035
bonds (distance) P-C4' energy: -27.814
flat angles C4'-P-C4' energy: -24.760
flat angles P-C4'-P energy: -20.944
tors. eta vs tors. theta energy: -34.694
Dist. restrs. and SS energy: 0.303 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -398.737551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.737551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.954804 (E_RNA)
where:
Base-Base interactions energy: -266.677
where: short stacking energy: -119.882
Base-Backbone interact. energy: -0.407
local terms energy: -131.870509
where:
bonds (distance) C4'-P energy: -23.205
bonds (distance) P-C4' energy: -27.370
flat angles C4'-P-C4' energy: -29.892
flat angles P-C4'-P energy: -16.526
tors. eta vs tors. theta energy: -34.878
Dist. restrs. and SS energy: 0.217 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -380.573184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.573184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.710653 (E_RNA)
where:
Base-Base interactions energy: -256.814
where: short stacking energy: -97.026
Base-Backbone interact. energy: -0.226
local terms energy: -123.670277
where:
bonds (distance) C4'-P energy: -21.670
bonds (distance) P-C4' energy: -27.628
flat angles C4'-P-C4' energy: -29.892
flat angles P-C4'-P energy: -17.346
tors. eta vs tors. theta energy: -27.135
Dist. restrs. and SS energy: 0.137 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -372.276550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.276550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.691508 (E_RNA)
where:
Base-Base interactions energy: -237.744
where: short stacking energy: -103.582
Base-Backbone interact. energy: -0.967
local terms energy: -133.981210
where:
bonds (distance) C4'-P energy: -23.903
bonds (distance) P-C4' energy: -26.916
flat angles C4'-P-C4' energy: -27.826
flat angles P-C4'-P energy: -22.033
tors. eta vs tors. theta energy: -33.303
Dist. restrs. and SS energy: 0.415 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -354.035528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.035528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.181191 (E_RNA)
where:
Base-Base interactions energy: -231.646
where: short stacking energy: -100.039
Base-Backbone interact. energy: -0.145
local terms energy: -122.390432
where:
bonds (distance) C4'-P energy: -27.160
bonds (distance) P-C4' energy: -25.502
flat angles C4'-P-C4' energy: -26.810
flat angles P-C4'-P energy: -17.683
tors. eta vs tors. theta energy: -25.236
Dist. restrs. and SS energy: 0.146 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -326.912030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.912030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.204023 (E_RNA)
where:
Base-Base interactions energy: -217.575
where: short stacking energy: -82.803
Base-Backbone interact. energy: 0.235
local terms energy: -109.863878
where:
bonds (distance) C4'-P energy: -22.350
bonds (distance) P-C4' energy: -26.525
flat angles C4'-P-C4' energy: -25.293
flat angles P-C4'-P energy: -18.131
tors. eta vs tors. theta energy: -17.563
Dist. restrs. and SS energy: 0.292 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -335.435473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.435473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.591074 (E_RNA)
where:
Base-Base interactions energy: -222.315
where: short stacking energy: -91.504
Base-Backbone interact. energy: -0.899
local terms energy: -113.377077
where:
bonds (distance) C4'-P energy: -18.244
bonds (distance) P-C4' energy: -27.391
flat angles C4'-P-C4' energy: -25.833
flat angles P-C4'-P energy: -19.119
tors. eta vs tors. theta energy: -22.790
Dist. restrs. and SS energy: 1.156 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -308.723498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.723498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.964735 (E_RNA)
where:
Base-Base interactions energy: -207.641
where: short stacking energy: -79.709
Base-Backbone interact. energy: -0.398
local terms energy: -100.925867
where:
bonds (distance) C4'-P energy: -23.153
bonds (distance) P-C4' energy: -25.123
flat angles C4'-P-C4' energy: -24.411
flat angles P-C4'-P energy: -6.579
tors. eta vs tors. theta energy: -21.659
Dist. restrs. and SS energy: 0.241 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -321.257563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.257563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.311449 (E_RNA)
where:
Base-Base interactions energy: -218.292
where: short stacking energy: -76.578
Base-Backbone interact. energy: 1.769
local terms energy: -104.788391
where:
bonds (distance) C4'-P energy: -27.915
bonds (distance) P-C4' energy: -31.060
flat angles C4'-P-C4' energy: -23.222
flat angles P-C4'-P energy: -6.406
tors. eta vs tors. theta energy: -16.185
Dist. restrs. and SS energy: 0.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -430.761248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.761248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.934477 (E_RNA)
where:
Base-Base interactions energy: -315.445
where: short stacking energy: -116.032
Base-Backbone interact. energy: -0.879
local terms energy: -114.609936
where:
bonds (distance) C4'-P energy: -22.961
bonds (distance) P-C4' energy: -20.567
flat angles C4'-P-C4' energy: -25.525
flat angles P-C4'-P energy: -14.598
tors. eta vs tors. theta energy: -30.959
Dist. restrs. and SS energy: 0.173 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -398.575325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.575325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.157084 (E_RNA)
where:
Base-Base interactions energy: -271.971
where: short stacking energy: -109.665
Base-Backbone interact. energy: 0.454
local terms energy: -127.639207
where:
bonds (distance) C4'-P energy: -30.709
bonds (distance) P-C4' energy: -28.381
flat angles C4'-P-C4' energy: -22.413
flat angles P-C4'-P energy: -12.820
tors. eta vs tors. theta energy: -33.316
Dist. restrs. and SS energy: 0.582 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -405.833400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.833400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.141414 (E_RNA)
where:
Base-Base interactions energy: -275.468
where: short stacking energy: -104.725
Base-Backbone interact. energy: -0.029
local terms energy: -130.643802
where:
bonds (distance) C4'-P energy: -26.755
bonds (distance) P-C4' energy: -28.349
flat angles C4'-P-C4' energy: -30.047
flat angles P-C4'-P energy: -14.544
tors. eta vs tors. theta energy: -30.948
Dist. restrs. and SS energy: 0.308 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -373.318018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.318018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.659695 (E_RNA)
where:
Base-Base interactions energy: -255.049
where: short stacking energy: -100.802
Base-Backbone interact. energy: -0.174
local terms energy: -118.436572
where:
bonds (distance) C4'-P energy: -25.578
bonds (distance) P-C4' energy: -23.739
flat angles C4'-P-C4' energy: -25.178
flat angles P-C4'-P energy: -18.995
tors. eta vs tors. theta energy: -24.946
Dist. restrs. and SS energy: 0.342 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -354.208012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.208012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.918972 (E_RNA)
where:
Base-Base interactions energy: -239.775
where: short stacking energy: -94.394
Base-Backbone interact. energy: -0.844
local terms energy: -114.299467
where:
bonds (distance) C4'-P energy: -26.738
bonds (distance) P-C4' energy: -23.368
flat angles C4'-P-C4' energy: -23.922
flat angles P-C4'-P energy: -19.320
tors. eta vs tors. theta energy: -20.952
Dist. restrs. and SS energy: 0.711 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -338.539611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.539611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.892935 (E_RNA)
where:
Base-Base interactions energy: -218.056
where: short stacking energy: -80.661
Base-Backbone interact. energy: -1.683
local terms energy: -119.154354
where:
bonds (distance) C4'-P energy: -26.988
bonds (distance) P-C4' energy: -28.714
flat angles C4'-P-C4' energy: -24.488
flat angles P-C4'-P energy: -12.883
tors. eta vs tors. theta energy: -26.082
Dist. restrs. and SS energy: 0.353 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -329.743949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.743949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.170049 (E_RNA)
where:
Base-Base interactions energy: -223.929
where: short stacking energy: -87.058
Base-Backbone interact. energy: -0.845
local terms energy: -105.395982
where:
bonds (distance) C4'-P energy: -20.926
bonds (distance) P-C4' energy: -28.019
flat angles C4'-P-C4' energy: -23.211
flat angles P-C4'-P energy: -10.718
tors. eta vs tors. theta energy: -22.522
Dist. restrs. and SS energy: 0.426 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -351.938299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.938299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.588663 (E_RNA)
where:
Base-Base interactions energy: -240.752
where: short stacking energy: -102.131
Base-Backbone interact. energy: -0.228
local terms energy: -111.608173
where:
bonds (distance) C4'-P energy: -20.006
bonds (distance) P-C4' energy: -27.794
flat angles C4'-P-C4' energy: -24.992
flat angles P-C4'-P energy: -18.464
tors. eta vs tors. theta energy: -20.352
Dist. restrs. and SS energy: 0.650 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -334.495510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.495510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.868583 (E_RNA)
where:
Base-Base interactions energy: -235.781
where: short stacking energy: -92.898
Base-Backbone interact. energy: -0.335
local terms energy: -98.752603
where:
bonds (distance) C4'-P energy: -19.832
bonds (distance) P-C4' energy: -24.388
flat angles C4'-P-C4' energy: -21.700
flat angles P-C4'-P energy: -10.663
tors. eta vs tors. theta energy: -22.169
Dist. restrs. and SS energy: 0.373 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -326.374854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.374854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.446341 (E_RNA)
where:
Base-Base interactions energy: -220.718
where: short stacking energy: -83.164
Base-Backbone interact. energy: 1.376
local terms energy: -107.104364
where:
bonds (distance) C4'-P energy: -29.861
bonds (distance) P-C4' energy: -25.530
flat angles C4'-P-C4' energy: -19.233
flat angles P-C4'-P energy: -6.918
tors. eta vs tors. theta energy: -25.563
Dist. restrs. and SS energy: 0.071 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -437.981119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.981119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.076608 (E_RNA)
where:
Base-Base interactions energy: -306.491
where: short stacking energy: -112.035
Base-Backbone interact. energy: -0.673
local terms energy: -130.911958
where:
bonds (distance) C4'-P energy: -24.428
bonds (distance) P-C4' energy: -26.877
flat angles C4'-P-C4' energy: -25.986
flat angles P-C4'-P energy: -22.142
tors. eta vs tors. theta energy: -31.479
Dist. restrs. and SS energy: 0.095 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -405.488252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.488252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.533404 (E_RNA)
where:
Base-Base interactions energy: -276.215
where: short stacking energy: -118.791
Base-Backbone interact. energy: -0.140
local terms energy: -129.177767
where:
bonds (distance) C4'-P energy: -26.606
bonds (distance) P-C4' energy: -30.779
flat angles C4'-P-C4' energy: -22.581
flat angles P-C4'-P energy: -20.484
tors. eta vs tors. theta energy: -28.728
Dist. restrs. and SS energy: 0.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -378.530982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.530982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.146142 (E_RNA)
where:
Base-Base interactions energy: -254.148
where: short stacking energy: -99.801
Base-Backbone interact. energy: -0.483
local terms energy: -124.515895
where:
bonds (distance) C4'-P energy: -27.570
bonds (distance) P-C4' energy: -28.680
flat angles C4'-P-C4' energy: -22.758
flat angles P-C4'-P energy: -19.953
tors. eta vs tors. theta energy: -25.555
Dist. restrs. and SS energy: 0.615 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -397.093088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.093088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.390806 (E_RNA)
where:
Base-Base interactions energy: -267.102
where: short stacking energy: -104.320
Base-Backbone interact. energy: -1.047
local terms energy: -129.241984
where:
bonds (distance) C4'-P energy: -17.948
bonds (distance) P-C4' energy: -27.083
flat angles C4'-P-C4' energy: -28.441
flat angles P-C4'-P energy: -22.778
tors. eta vs tors. theta energy: -32.991
Dist. restrs. and SS energy: 0.298 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -362.445502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.445502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.880512 (E_RNA)
where:
Base-Base interactions energy: -245.142
where: short stacking energy: -103.556
Base-Backbone interact. energy: 1.527
local terms energy: -119.266182
where:
bonds (distance) C4'-P energy: -22.458
bonds (distance) P-C4' energy: -26.126
flat angles C4'-P-C4' energy: -31.229
flat angles P-C4'-P energy: -16.095
tors. eta vs tors. theta energy: -23.359
Dist. restrs. and SS energy: 0.435 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -351.111525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.111525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.381476 (E_RNA)
where:
Base-Base interactions energy: -233.791
where: short stacking energy: -97.083
Base-Backbone interact. energy: -0.191
local terms energy: -117.399872
where:
bonds (distance) C4'-P energy: -27.164
bonds (distance) P-C4' energy: -22.645
flat angles C4'-P-C4' energy: -25.847
flat angles P-C4'-P energy: -17.233
tors. eta vs tors. theta energy: -24.511
Dist. restrs. and SS energy: 0.270 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -342.241418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.241418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.819056 (E_RNA)
where:
Base-Base interactions energy: -221.847
where: short stacking energy: -88.224
Base-Backbone interact. energy: -0.591
local terms energy: -120.381318
where:
bonds (distance) C4'-P energy: -24.994
bonds (distance) P-C4' energy: -22.709
flat angles C4'-P-C4' energy: -27.141
flat angles P-C4'-P energy: -15.906
tors. eta vs tors. theta energy: -29.631
Dist. restrs. and SS energy: 0.578 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -332.917762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.917762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.249525 (E_RNA)
where:
Base-Base interactions energy: -222.080
where: short stacking energy: -91.211
Base-Backbone interact. energy: -0.360
local terms energy: -110.809242
where:
bonds (distance) C4'-P energy: -24.627
bonds (distance) P-C4' energy: -20.657
flat angles C4'-P-C4' energy: -25.042
flat angles P-C4'-P energy: -15.466
tors. eta vs tors. theta energy: -25.017
Dist. restrs. and SS energy: 0.332 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -333.716604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.716604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.151985 (E_RNA)
where:
Base-Base interactions energy: -223.331
where: short stacking energy: -88.395
Base-Backbone interact. energy: -0.560
local terms energy: -110.260333
where:
bonds (distance) C4'-P energy: -23.916
bonds (distance) P-C4' energy: -23.863
flat angles C4'-P-C4' energy: -21.962
flat angles P-C4'-P energy: -17.007
tors. eta vs tors. theta energy: -23.513
Dist. restrs. and SS energy: 0.435 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -306.582968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.582968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.912825 (E_RNA)
where:
Base-Base interactions energy: -206.516
where: short stacking energy: -83.914
Base-Backbone interact. energy: -0.466
local terms energy: -99.930952
where:
bonds (distance) C4'-P energy: -22.775
bonds (distance) P-C4' energy: -18.019
flat angles C4'-P-C4' energy: -23.231
flat angles P-C4'-P energy: -20.880
tors. eta vs tors. theta energy: -15.026
Dist. restrs. and SS energy: 0.330 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -442.696436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.696436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.837287 (E_RNA)
where:
Base-Base interactions energy: -304.026
where: short stacking energy: -112.108
Base-Backbone interact. energy: -0.321
local terms energy: -138.490850
where:
bonds (distance) C4'-P energy: -29.838
bonds (distance) P-C4' energy: -25.463
flat angles C4'-P-C4' energy: -30.692
flat angles P-C4'-P energy: -19.170
tors. eta vs tors. theta energy: -33.327
Dist. restrs. and SS energy: 0.141 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -406.089377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.089377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.551486 (E_RNA)
where:
Base-Base interactions energy: -278.319
where: short stacking energy: -114.361
Base-Backbone interact. energy: -0.271
local terms energy: -127.961838
where:
bonds (distance) C4'-P energy: -30.730
bonds (distance) P-C4' energy: -26.533
flat angles C4'-P-C4' energy: -28.524
flat angles P-C4'-P energy: -13.851
tors. eta vs tors. theta energy: -28.324
Dist. restrs. and SS energy: 0.462 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -390.039275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.039275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.613886 (E_RNA)
where:
Base-Base interactions energy: -265.920
where: short stacking energy: -109.039
Base-Backbone interact. energy: -0.480
local terms energy: -124.214238
where:
bonds (distance) C4'-P energy: -22.277
bonds (distance) P-C4' energy: -28.446
flat angles C4'-P-C4' energy: -27.438
flat angles P-C4'-P energy: -15.475
tors. eta vs tors. theta energy: -30.578
Dist. restrs. and SS energy: 0.575 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -382.076826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.076826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.098790 (E_RNA)
where:
Base-Base interactions energy: -267.123
where: short stacking energy: -103.596
Base-Backbone interact. energy: -0.606
local terms energy: -114.369802
where:
bonds (distance) C4'-P energy: -28.821
bonds (distance) P-C4' energy: -24.323
flat angles C4'-P-C4' energy: -24.857
flat angles P-C4'-P energy: -8.001
tors. eta vs tors. theta energy: -28.369
Dist. restrs. and SS energy: 0.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -384.541518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.541518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.346810 (E_RNA)
where:
Base-Base interactions energy: -262.730
where: short stacking energy: -104.265
Base-Backbone interact. energy: -0.143
local terms energy: -122.473618
where:
bonds (distance) C4'-P energy: -25.818
bonds (distance) P-C4' energy: -27.832
flat angles C4'-P-C4' energy: -25.248
flat angles P-C4'-P energy: -16.663
tors. eta vs tors. theta energy: -26.912
Dist. restrs. and SS energy: 0.805 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -344.362960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.362960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.862604 (E_RNA)
where:
Base-Base interactions energy: -226.468
where: short stacking energy: -92.943
Base-Backbone interact. energy: -0.736
local terms energy: -117.658435
where:
bonds (distance) C4'-P energy: -26.320
bonds (distance) P-C4' energy: -23.584
flat angles C4'-P-C4' energy: -28.687
flat angles P-C4'-P energy: -14.541
tors. eta vs tors. theta energy: -24.526
Dist. restrs. and SS energy: 0.500 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -329.882063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.882063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.045860 (E_RNA)
where:
Base-Base interactions energy: -224.621
where: short stacking energy: -88.353
Base-Backbone interact. energy: 1.491
local terms energy: -106.915327
where:
bonds (distance) C4'-P energy: -26.104
bonds (distance) P-C4' energy: -23.679
flat angles C4'-P-C4' energy: -25.867
flat angles P-C4'-P energy: -13.041
tors. eta vs tors. theta energy: -18.224
Dist. restrs. and SS energy: 0.164 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -339.092951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.092951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.146982 (E_RNA)
where:
Base-Base interactions energy: -222.664
where: short stacking energy: -88.819
Base-Backbone interact. energy: -0.665
local terms energy: -115.817865
where:
bonds (distance) C4'-P energy: -23.379
bonds (distance) P-C4' energy: -19.694
flat angles C4'-P-C4' energy: -30.172
flat angles P-C4'-P energy: -19.536
tors. eta vs tors. theta energy: -23.037
Dist. restrs. and SS energy: 0.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -326.152884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.152884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.549716 (E_RNA)
where:
Base-Base interactions energy: -220.289
where: short stacking energy: -89.054
Base-Backbone interact. energy: 0.199
local terms energy: -106.460025
where:
bonds (distance) C4'-P energy: -23.113
bonds (distance) P-C4' energy: -28.045
flat angles C4'-P-C4' energy: -18.744
flat angles P-C4'-P energy: -10.372
tors. eta vs tors. theta energy: -26.186
Dist. restrs. and SS energy: 0.397 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -317.663585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.663585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.934822 (E_RNA)
where:
Base-Base interactions energy: -209.882
where: short stacking energy: -82.425
Base-Backbone interact. energy: -0.165
local terms energy: -107.887119
where:
bonds (distance) C4'-P energy: -19.545
bonds (distance) P-C4' energy: -25.762
flat angles C4'-P-C4' energy: -23.640
flat angles P-C4'-P energy: -12.717
tors. eta vs tors. theta energy: -26.224
Dist. restrs. and SS energy: 0.271 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -438.304527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.304527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.626866 (E_RNA)
where:
Base-Base interactions energy: -308.558
where: short stacking energy: -112.045
Base-Backbone interact. energy: -0.253
local terms energy: -129.815556
where:
bonds (distance) C4'-P energy: -27.802
bonds (distance) P-C4' energy: -29.124
flat angles C4'-P-C4' energy: -25.014
flat angles P-C4'-P energy: -16.316
tors. eta vs tors. theta energy: -31.559
Dist. restrs. and SS energy: 0.322 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -405.877584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.877584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.006634 (E_RNA)
where:
Base-Base interactions energy: -276.273
where: short stacking energy: -119.004
Base-Backbone interact. energy: -0.200
local terms energy: -129.533819
where:
bonds (distance) C4'-P energy: -25.860
bonds (distance) P-C4' energy: -25.704
flat angles C4'-P-C4' energy: -28.762
flat angles P-C4'-P energy: -14.166
tors. eta vs tors. theta energy: -35.041
Dist. restrs. and SS energy: 0.129 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -384.822656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.822656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.950736 (E_RNA)
where:
Base-Base interactions energy: -263.444
where: short stacking energy: -116.252
Base-Backbone interact. energy: -0.984
local terms energy: -120.522410
where:
bonds (distance) C4'-P energy: -21.191
bonds (distance) P-C4' energy: -28.628
flat angles C4'-P-C4' energy: -25.970
flat angles P-C4'-P energy: -15.200
tors. eta vs tors. theta energy: -29.533
Dist. restrs. and SS energy: 0.128 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -379.200702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.200702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.422446 (E_RNA)
where:
Base-Base interactions energy: -255.971
where: short stacking energy: -99.171
Base-Backbone interact. energy: -0.522
local terms energy: -122.929371
where:
bonds (distance) C4'-P energy: -18.009
bonds (distance) P-C4' energy: -28.748
flat angles C4'-P-C4' energy: -30.237
flat angles P-C4'-P energy: -19.402
tors. eta vs tors. theta energy: -26.533
Dist. restrs. and SS energy: 0.222 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -388.292430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.292430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.623931 (E_RNA)
where:
Base-Base interactions energy: -255.475
where: short stacking energy: -113.690
Base-Backbone interact. energy: -1.123
local terms energy: -132.026547
where:
bonds (distance) C4'-P energy: -25.937
bonds (distance) P-C4' energy: -26.476
flat angles C4'-P-C4' energy: -30.776
flat angles P-C4'-P energy: -19.364
tors. eta vs tors. theta energy: -29.473
Dist. restrs. and SS energy: 0.332 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -352.073782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.073782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.415516 (E_RNA)
where:
Base-Base interactions energy: -236.655
where: short stacking energy: -93.407
Base-Backbone interact. energy: -0.192
local terms energy: -115.568666
where:
bonds (distance) C4'-P energy: -27.065
bonds (distance) P-C4' energy: -18.534
flat angles C4'-P-C4' energy: -26.598
flat angles P-C4'-P energy: -16.235
tors. eta vs tors. theta energy: -27.137
Dist. restrs. and SS energy: 0.342 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -356.343926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.343926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.697127 (E_RNA)
where:
Base-Base interactions energy: -246.372
where: short stacking energy: -93.856
Base-Backbone interact. energy: -0.714
local terms energy: -109.611303
where:
bonds (distance) C4'-P energy: -22.395
bonds (distance) P-C4' energy: -17.772
flat angles C4'-P-C4' energy: -25.497
flat angles P-C4'-P energy: -15.882
tors. eta vs tors. theta energy: -28.066
Dist. restrs. and SS energy: 0.353 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -320.294833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.294833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.815248 (E_RNA)
where:
Base-Base interactions energy: -209.435
where: short stacking energy: -76.590
Base-Backbone interact. energy: -0.881
local terms energy: -110.498490
where:
bonds (distance) C4'-P energy: -23.709
bonds (distance) P-C4' energy: -28.304
flat angles C4'-P-C4' energy: -26.695
flat angles P-C4'-P energy: -11.729
tors. eta vs tors. theta energy: -20.062
Dist. restrs. and SS energy: 0.520 (S_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: 422
Temperature: 1.300000
Total energy: -304.247399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.247399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.069762 (E_RNA)
where:
Base-Base interactions energy: -201.357
where: short stacking energy: -72.223
Base-Backbone interact. energy: -1.012
local terms energy: -102.700363
where:
bonds (distance) C4'-P energy: -23.900
bonds (distance) P-C4' energy: -26.211
flat angles C4'-P-C4' energy: -22.047
flat angles P-C4'-P energy: -11.629
tors. eta vs tors. theta energy: -18.913
Dist. restrs. and SS energy: 0.822 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -316.584984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.584984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.164376 (E_RNA)
where:
Base-Base interactions energy: -209.319
where: short stacking energy: -89.330
Base-Backbone interact. energy: -0.542
local terms energy: -107.302786
where:
bonds (distance) C4'-P energy: -17.607
bonds (distance) P-C4' energy: -17.846
flat angles C4'-P-C4' energy: -26.209
flat angles P-C4'-P energy: -18.069
tors. eta vs tors. theta energy: -27.572
Dist. restrs. and SS energy: 0.579 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -436.847439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.847439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.210498 (E_RNA)
where:
Base-Base interactions energy: -299.112
where: short stacking energy: -100.885
Base-Backbone interact. energy: -0.386
local terms energy: -137.712357
where:
bonds (distance) C4'-P energy: -28.862
bonds (distance) P-C4' energy: -32.461
flat angles C4'-P-C4' energy: -28.230
flat angles P-C4'-P energy: -16.140
tors. eta vs tors. theta energy: -32.020
Dist. restrs. and SS energy: 0.363 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -401.321140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.321140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.443950 (E_RNA)
where:
Base-Base interactions energy: -285.453
where: short stacking energy: -101.509
Base-Backbone interact. energy: 2.346
local terms energy: -118.336705
where:
bonds (distance) C4'-P energy: -25.933
bonds (distance) P-C4' energy: -16.648
flat angles C4'-P-C4' energy: -29.866
flat angles P-C4'-P energy: -19.516
tors. eta vs tors. theta energy: -26.375
Dist. restrs. and SS energy: 0.123 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -399.901737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.901737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.235987 (E_RNA)
where:
Base-Base interactions energy: -271.071
where: short stacking energy: -103.001
Base-Backbone interact. energy: -1.105
local terms energy: -128.059820
where:
bonds (distance) C4'-P energy: -25.690
bonds (distance) P-C4' energy: -26.098
flat angles C4'-P-C4' energy: -27.888
flat angles P-C4'-P energy: -23.552
tors. eta vs tors. theta energy: -24.831
Dist. restrs. and SS energy: 0.334 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -408.145725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.145725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.342230 (E_RNA)
where:
Base-Base interactions energy: -280.317
where: short stacking energy: -115.620
Base-Backbone interact. energy: -0.455
local terms energy: -127.570140
where:
bonds (distance) C4'-P energy: -20.132
bonds (distance) P-C4' energy: -30.471
flat angles C4'-P-C4' energy: -27.837
flat angles P-C4'-P energy: -15.024
tors. eta vs tors. theta energy: -34.106
Dist. restrs. and SS energy: 0.197 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -357.246924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.246924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.603475 (E_RNA)
where:
Base-Base interactions energy: -243.340
where: short stacking energy: -84.183
Base-Backbone interact. energy: -1.110
local terms energy: -113.154276
where:
bonds (distance) C4'-P energy: -26.820
bonds (distance) P-C4' energy: -21.452
flat angles C4'-P-C4' energy: -24.747
flat angles P-C4'-P energy: -15.302
tors. eta vs tors. theta energy: -24.832
Dist. restrs. and SS energy: 0.357 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -363.845809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.845809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.025400 (E_RNA)
where:
Base-Base interactions energy: -242.752
where: short stacking energy: -104.508
Base-Backbone interact. energy: -0.121
local terms energy: -121.152036
where:
bonds (distance) C4'-P energy: -25.761
bonds (distance) P-C4' energy: -23.412
flat angles C4'-P-C4' energy: -25.576
flat angles P-C4'-P energy: -15.869
tors. eta vs tors. theta energy: -30.533
Dist. restrs. and SS energy: 0.180 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -348.136378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.136378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.276832 (E_RNA)
where:
Base-Base interactions energy: -236.896
where: short stacking energy: -96.399
Base-Backbone interact. energy: -0.778
local terms energy: -110.602811
where:
bonds (distance) C4'-P energy: -28.843
bonds (distance) P-C4' energy: -22.398
flat angles C4'-P-C4' energy: -22.113
flat angles P-C4'-P energy: -12.576
tors. eta vs tors. theta energy: -24.672
Dist. restrs. and SS energy: 0.140 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -360.878612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.878612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.686101 (E_RNA)
where:
Base-Base interactions energy: -243.269
where: short stacking energy: -96.940
Base-Backbone interact. energy: -0.140
local terms energy: -118.277132
where:
bonds (distance) C4'-P energy: -26.184
bonds (distance) P-C4' energy: -23.692
flat angles C4'-P-C4' energy: -26.133
flat angles P-C4'-P energy: -12.702
tors. eta vs tors. theta energy: -29.565
Dist. restrs. and SS energy: 0.807 (S_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: 423
Temperature: 1.300000
Total energy: -321.161189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.161189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.464230 (E_RNA)
where:
Base-Base interactions energy: -208.503
where: short stacking energy: -81.340
Base-Backbone interact. energy: 0.077
local terms energy: -113.038685
where:
bonds (distance) C4'-P energy: -26.863
bonds (distance) P-C4' energy: -24.178
flat angles C4'-P-C4' energy: -23.407
flat angles P-C4'-P energy: -17.617
tors. eta vs tors. theta energy: -20.974
Dist. restrs. and SS energy: 0.303 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -327.729736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.729736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.992522 (E_RNA)
where:
Base-Base interactions energy: -222.909
where: short stacking energy: -80.741
Base-Backbone interact. energy: 1.646
local terms energy: -106.729680
where:
bonds (distance) C4'-P energy: -24.221
bonds (distance) P-C4' energy: -27.157
flat angles C4'-P-C4' energy: -24.929
flat angles P-C4'-P energy: -16.188
tors. eta vs tors. theta energy: -14.236
Dist. restrs. and SS energy: 0.263 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -411.636880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.636880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.862816 (E_RNA)
where:
Base-Base interactions energy: -283.481
where: short stacking energy: -101.134
Base-Backbone interact. energy: -1.263
local terms energy: -127.118280
where:
bonds (distance) C4'-P energy: -25.441
bonds (distance) P-C4' energy: -29.379
flat angles C4'-P-C4' energy: -32.074
flat angles P-C4'-P energy: -13.958
tors. eta vs tors. theta energy: -26.266
Dist. restrs. and SS energy: 0.226 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -427.355065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.355065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.637456 (E_RNA)
where:
Base-Base interactions energy: -288.497
where: short stacking energy: -106.039
Base-Backbone interact. energy: -0.468
local terms energy: -138.673222
where:
bonds (distance) C4'-P energy: -28.128
bonds (distance) P-C4' energy: -30.809
flat angles C4'-P-C4' energy: -25.468
flat angles P-C4'-P energy: -24.952
tors. eta vs tors. theta energy: -29.317
Dist. restrs. and SS energy: 0.282 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -405.185655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.185655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.380558 (E_RNA)
where:
Base-Base interactions energy: -268.850
where: short stacking energy: -106.929
Base-Backbone interact. energy: -1.337
local terms energy: -135.194348
where:
bonds (distance) C4'-P energy: -27.665
bonds (distance) P-C4' energy: -29.818
flat angles C4'-P-C4' energy: -21.110
flat angles P-C4'-P energy: -20.555
tors. eta vs tors. theta energy: -36.046
Dist. restrs. and SS energy: 0.195 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -380.918529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.918529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.950503 (E_RNA)
where:
Base-Base interactions energy: -262.306
where: short stacking energy: -109.359
Base-Backbone interact. energy: -0.426
local terms energy: -118.218587
where:
bonds (distance) C4'-P energy: -25.044
bonds (distance) P-C4' energy: -25.927
flat angles C4'-P-C4' energy: -23.195
flat angles P-C4'-P energy: -16.227
tors. eta vs tors. theta energy: -27.825
Dist. restrs. and SS energy: 0.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -375.578696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.578696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.697018 (E_RNA)
where:
Base-Base interactions energy: -258.631
where: short stacking energy: -106.147
Base-Backbone interact. energy: 0.456
local terms energy: -117.522096
where:
bonds (distance) C4'-P energy: -19.348
bonds (distance) P-C4' energy: -26.003
flat angles C4'-P-C4' energy: -24.818
flat angles P-C4'-P energy: -16.362
tors. eta vs tors. theta energy: -30.991
Dist. restrs. and SS energy: 0.118 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -366.418534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.418534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.511839 (E_RNA)
where:
Base-Base interactions energy: -255.641
where: short stacking energy: -93.719
Base-Backbone interact. energy: -1.369
local terms energy: -109.501754
where:
bonds (distance) C4'-P energy: -20.771
bonds (distance) P-C4' energy: -18.243
flat angles C4'-P-C4' energy: -28.801
flat angles P-C4'-P energy: -16.755
tors. eta vs tors. theta energy: -24.932
Dist. restrs. and SS energy: 0.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -346.101166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.101166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.184922 (E_RNA)
where:
Base-Base interactions energy: -228.135
where: short stacking energy: -90.111
Base-Backbone interact. energy: -1.534
local terms energy: -116.515991
where:
bonds (distance) C4'-P energy: -24.904
bonds (distance) P-C4' energy: -28.766
flat angles C4'-P-C4' energy: -24.876
flat angles P-C4'-P energy: -15.612
tors. eta vs tors. theta energy: -22.358
Dist. restrs. and SS energy: 0.084 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -354.352366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.352366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.576936 (E_RNA)
where:
Base-Base interactions energy: -236.771
where: short stacking energy: -97.206
Base-Backbone interact. energy: -0.174
local terms energy: -117.632538
where:
bonds (distance) C4'-P energy: -29.358
bonds (distance) P-C4' energy: -20.758
flat angles C4'-P-C4' energy: -26.156
flat angles P-C4'-P energy: -13.841
tors. eta vs tors. theta energy: -27.520
Dist. restrs. and SS energy: 0.225 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -339.923632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.923632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.244341 (E_RNA)
where:
Base-Base interactions energy: -234.094
where: short stacking energy: -89.216
Base-Backbone interact. energy: -0.024
local terms energy: -106.126984
where:
bonds (distance) C4'-P energy: -17.909
bonds (distance) P-C4' energy: -22.892
flat angles C4'-P-C4' energy: -22.152
flat angles P-C4'-P energy: -18.892
tors. eta vs tors. theta energy: -24.283
Dist. restrs. and SS energy: 0.321 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -328.013275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.013275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.366136 (E_RNA)
where:
Base-Base interactions energy: -220.110
where: short stacking energy: -89.377
Base-Backbone interact. energy: 2.008
local terms energy: -110.264971
where:
bonds (distance) C4'-P energy: -25.219
bonds (distance) P-C4' energy: -26.863
flat angles C4'-P-C4' energy: -21.273
flat angles P-C4'-P energy: -12.784
tors. eta vs tors. theta energy: -24.126
Dist. restrs. and SS energy: 0.353 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -419.076089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.076089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.103849 (E_RNA)
where:
Base-Base interactions energy: -291.234
where: short stacking energy: -121.315
Base-Backbone interact. energy: 1.235
local terms energy: -129.104568
where:
bonds (distance) C4'-P energy: -22.107
bonds (distance) P-C4' energy: -30.719
flat angles C4'-P-C4' energy: -29.265
flat angles P-C4'-P energy: -15.685
tors. eta vs tors. theta energy: -31.329
Dist. restrs. and SS energy: 0.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -402.906375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.906375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.448190 (E_RNA)
where:
Base-Base interactions energy: -259.899
where: short stacking energy: -114.394
Base-Backbone interact. energy: -0.517
local terms energy: -143.032564
where:
bonds (distance) C4'-P energy: -26.205
bonds (distance) P-C4' energy: -26.208
flat angles C4'-P-C4' energy: -33.597
flat angles P-C4'-P energy: -23.871
tors. eta vs tors. theta energy: -33.152
Dist. restrs. and SS energy: 0.542 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -418.895125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.895125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.311800 (E_RNA)
where:
Base-Base interactions energy: -295.979
where: short stacking energy: -106.288
Base-Backbone interact. energy: -0.253
local terms energy: -123.079720
where:
bonds (distance) C4'-P energy: -21.212
bonds (distance) P-C4' energy: -24.278
flat angles C4'-P-C4' energy: -28.994
flat angles P-C4'-P energy: -18.859
tors. eta vs tors. theta energy: -29.737
Dist. restrs. and SS energy: 0.417 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -381.140044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.140044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.683508 (E_RNA)
where:
Base-Base interactions energy: -263.863
where: short stacking energy: -94.813
Base-Backbone interact. energy: -0.900
local terms energy: -116.920283
where:
bonds (distance) C4'-P energy: -27.114
bonds (distance) P-C4' energy: -26.180
flat angles C4'-P-C4' energy: -28.504
flat angles P-C4'-P energy: -8.497
tors. eta vs tors. theta energy: -26.625
Dist. restrs. and SS energy: 0.543 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -364.668443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.668443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.077941 (E_RNA)
where:
Base-Base interactions energy: -240.827
where: short stacking energy: -90.061
Base-Backbone interact. energy: 0.106
local terms energy: -124.356769
where:
bonds (distance) C4'-P energy: -25.069
bonds (distance) P-C4' energy: -29.720
flat angles C4'-P-C4' energy: -26.551
flat angles P-C4'-P energy: -14.829
tors. eta vs tors. theta energy: -28.187
Dist. restrs. and SS energy: 0.409 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -348.273863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.273863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.696852 (E_RNA)
where:
Base-Base interactions energy: -241.175
where: short stacking energy: -97.061
Base-Backbone interact. energy: 0.484
local terms energy: -108.006183
where:
bonds (distance) C4'-P energy: -21.170
bonds (distance) P-C4' energy: -22.275
flat angles C4'-P-C4' energy: -24.414
flat angles P-C4'-P energy: -14.442
tors. eta vs tors. theta energy: -25.705
Dist. restrs. and SS energy: 0.423 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -354.999127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.999127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.154116 (E_RNA)
where:
Base-Base interactions energy: -237.839
where: short stacking energy: -90.398
Base-Backbone interact. energy: -1.383
local terms energy: -115.931281
where:
bonds (distance) C4'-P energy: -24.164
bonds (distance) P-C4' energy: -27.099
flat angles C4'-P-C4' energy: -24.416
flat angles P-C4'-P energy: -11.743
tors. eta vs tors. theta energy: -28.508
Dist. restrs. and SS energy: 0.155 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -369.071675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.071675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.205827 (E_RNA)
where:
Base-Base interactions energy: -246.433
where: short stacking energy: -90.484
Base-Backbone interact. energy: -0.250
local terms energy: -122.523251
where:
bonds (distance) C4'-P energy: -24.691
bonds (distance) P-C4' energy: -26.216
flat angles C4'-P-C4' energy: -24.740
flat angles P-C4'-P energy: -18.104
tors. eta vs tors. theta energy: -28.772
Dist. restrs. and SS energy: 0.134 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -329.651057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.651057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.138296 (E_RNA)
where:
Base-Base interactions energy: -224.770
where: short stacking energy: -87.864
Base-Backbone interact. energy: -0.338
local terms energy: -105.030316
where:
bonds (distance) C4'-P energy: -21.168
bonds (distance) P-C4' energy: -24.234
flat angles C4'-P-C4' energy: -27.522
flat angles P-C4'-P energy: -14.154
tors. eta vs tors. theta energy: -17.953
Dist. restrs. and SS energy: 0.487 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -310.631206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.631206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.175464 (E_RNA)
where:
Base-Base interactions energy: -209.084
where: short stacking energy: -81.202
Base-Backbone interact. energy: 0.810
local terms energy: -102.901837
where:
bonds (distance) C4'-P energy: -19.105
bonds (distance) P-C4' energy: -20.416
flat angles C4'-P-C4' energy: -27.552
flat angles P-C4'-P energy: -16.762
tors. eta vs tors. theta energy: -19.066
Dist. restrs. and SS energy: 0.544 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -423.475426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.475426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.596987 (E_RNA)
where:
Base-Base interactions energy: -283.658
where: short stacking energy: -108.999
Base-Backbone interact. energy: -1.005
local terms energy: -138.933692
where:
bonds (distance) C4'-P energy: -29.152
bonds (distance) P-C4' energy: -29.957
flat angles C4'-P-C4' energy: -26.577
flat angles P-C4'-P energy: -20.049
tors. eta vs tors. theta energy: -33.198
Dist. restrs. and SS energy: 0.122 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -424.735613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.735613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.963444 (E_RNA)
where:
Base-Base interactions energy: -286.022
where: short stacking energy: -121.304
Base-Backbone interact. energy: -1.002
local terms energy: -137.939780
where:
bonds (distance) C4'-P energy: -29.224
bonds (distance) P-C4' energy: -29.508
flat angles C4'-P-C4' energy: -28.204
flat angles P-C4'-P energy: -18.967
tors. eta vs tors. theta energy: -32.037
Dist. restrs. and SS energy: 0.228 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -387.008264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.008264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.337161 (E_RNA)
where:
Base-Base interactions energy: -265.098
where: short stacking energy: -112.676
Base-Backbone interact. energy: -0.324
local terms energy: -121.915317
where:
bonds (distance) C4'-P energy: -21.200
bonds (distance) P-C4' energy: -27.209
flat angles C4'-P-C4' energy: -27.936
flat angles P-C4'-P energy: -12.434
tors. eta vs tors. theta energy: -33.136
Dist. restrs. and SS energy: 0.329 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -429.359608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.359608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.710267 (E_RNA)
where:
Base-Base interactions energy: -300.600
where: short stacking energy: -105.859
Base-Backbone interact. energy: 1.091
local terms energy: -130.201490
where:
bonds (distance) C4'-P energy: -25.940
bonds (distance) P-C4' energy: -29.405
flat angles C4'-P-C4' energy: -26.258
flat angles P-C4'-P energy: -16.181
tors. eta vs tors. theta energy: -32.418
Dist. restrs. and SS energy: 0.351 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -393.425378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.425378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.474574 (E_RNA)
where:
Base-Base interactions energy: -265.565
where: short stacking energy: -107.501
Base-Backbone interact. energy: -0.416
local terms energy: -127.492818
where:
bonds (distance) C4'-P energy: -22.643
bonds (distance) P-C4' energy: -26.446
flat angles C4'-P-C4' energy: -30.915
flat angles P-C4'-P energy: -14.008
tors. eta vs tors. theta energy: -33.481
Dist. restrs. and SS energy: 0.049 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -360.233331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.233331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.290178 (E_RNA)
where:
Base-Base interactions energy: -234.895
where: short stacking energy: -100.309
Base-Backbone interact. energy: -0.275
local terms energy: -125.120381
where:
bonds (distance) C4'-P energy: -25.372
bonds (distance) P-C4' energy: -28.653
flat angles C4'-P-C4' energy: -27.739
flat angles P-C4'-P energy: -12.595
tors. eta vs tors. theta energy: -30.762
Dist. restrs. and SS energy: 0.057 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -356.920900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.920900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.200235 (E_RNA)
where:
Base-Base interactions energy: -238.780
where: short stacking energy: -97.564
Base-Backbone interact. energy: -0.608
local terms energy: -117.812650
where:
bonds (distance) C4'-P energy: -21.117
bonds (distance) P-C4' energy: -31.281
flat angles C4'-P-C4' energy: -25.059
flat angles P-C4'-P energy: -14.105
tors. eta vs tors. theta energy: -26.251
Dist. restrs. and SS energy: 0.279 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -340.180455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.180455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.496553 (E_RNA)
where:
Base-Base interactions energy: -220.966
where: short stacking energy: -80.669
Base-Backbone interact. energy: -0.158
local terms energy: -120.372981
where:
bonds (distance) C4'-P energy: -28.452
bonds (distance) P-C4' energy: -29.727
flat angles C4'-P-C4' energy: -29.997
flat angles P-C4'-P energy: -8.608
tors. eta vs tors. theta energy: -23.589
Dist. restrs. and SS energy: 1.316 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -318.062219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.062219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.437709 (E_RNA)
where:
Base-Base interactions energy: -215.899
where: short stacking energy: -91.072
Base-Backbone interact. energy: -0.216
local terms energy: -102.323252
where:
bonds (distance) C4'-P energy: -17.621
bonds (distance) P-C4' energy: -22.943
flat angles C4'-P-C4' energy: -27.189
flat angles P-C4'-P energy: -13.295
tors. eta vs tors. theta energy: -21.276
Dist. restrs. and SS energy: 0.375 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -312.253451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.253451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.452045 (E_RNA)
where:
Base-Base interactions energy: -219.070
where: short stacking energy: -76.070
Base-Backbone interact. energy: -0.647
local terms energy: -93.735101
where:
bonds (distance) C4'-P energy: -18.398
bonds (distance) P-C4' energy: -21.156
flat angles C4'-P-C4' energy: -27.714
flat angles P-C4'-P energy: -5.864
tors. eta vs tors. theta energy: -20.603
Dist. restrs. and SS energy: 1.199 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -430.102291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.102291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.811971 (E_RNA)
where:
Base-Base interactions energy: -289.968
where: short stacking energy: -123.583
Base-Backbone interact. energy: -0.124
local terms energy: -140.720153
where:
bonds (distance) C4'-P energy: -27.851
bonds (distance) P-C4' energy: -29.207
flat angles C4'-P-C4' energy: -30.502
flat angles P-C4'-P energy: -18.769
tors. eta vs tors. theta energy: -34.390
Dist. restrs. and SS energy: 0.710 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -416.837453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.837453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.921782 (E_RNA)
where:
Base-Base interactions energy: -276.243
where: short stacking energy: -120.571
Base-Backbone interact. energy: -2.964
local terms energy: -137.714959
where:
bonds (distance) C4'-P energy: -27.007
bonds (distance) P-C4' energy: -27.826
flat angles C4'-P-C4' energy: -30.982
flat angles P-C4'-P energy: -19.223
tors. eta vs tors. theta energy: -32.677
Dist. restrs. and SS energy: 0.084 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -396.656230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.656230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.856360 (E_RNA)
where:
Base-Base interactions energy: -270.441
where: short stacking energy: -111.470
Base-Backbone interact. energy: -0.475
local terms energy: -125.940385
where:
bonds (distance) C4'-P energy: -26.034
bonds (distance) P-C4' energy: -30.006
flat angles C4'-P-C4' energy: -25.041
flat angles P-C4'-P energy: -15.711
tors. eta vs tors. theta energy: -29.148
Dist. restrs. and SS energy: 0.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -416.867439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.867439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.013131 (E_RNA)
where:
Base-Base interactions energy: -291.557
where: short stacking energy: -110.427
Base-Backbone interact. energy: 0.211
local terms energy: -125.666671
where:
bonds (distance) C4'-P energy: -25.162
bonds (distance) P-C4' energy: -25.412
flat angles C4'-P-C4' energy: -23.093
flat angles P-C4'-P energy: -14.330
tors. eta vs tors. theta energy: -37.670
Dist. restrs. and SS energy: 0.146 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -396.865593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.865593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.131345 (E_RNA)
where:
Base-Base interactions energy: -275.671
where: short stacking energy: -116.898
Base-Backbone interact. energy: -0.394
local terms energy: -121.066548
where:
bonds (distance) C4'-P energy: -22.474
bonds (distance) P-C4' energy: -29.127
flat angles C4'-P-C4' energy: -22.808
flat angles P-C4'-P energy: -11.888
tors. eta vs tors. theta energy: -34.768
Dist. restrs. and SS energy: 0.266 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -356.155549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.155549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.430938 (E_RNA)
where:
Base-Base interactions energy: -240.027
where: short stacking energy: -101.364
Base-Backbone interact. energy: 0.289
local terms energy: -116.692929
where:
bonds (distance) C4'-P energy: -23.487
bonds (distance) P-C4' energy: -24.067
flat angles C4'-P-C4' energy: -23.630
flat angles P-C4'-P energy: -15.538
tors. eta vs tors. theta energy: -29.971
Dist. restrs. and SS energy: 0.275 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -364.768498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.768498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.824586 (E_RNA)
where:
Base-Base interactions energy: -252.557
where: short stacking energy: -102.380
Base-Backbone interact. energy: 0.376
local terms energy: -112.643226
where:
bonds (distance) C4'-P energy: -24.880
bonds (distance) P-C4' energy: -24.580
flat angles C4'-P-C4' energy: -23.156
flat angles P-C4'-P energy: -19.558
tors. eta vs tors. theta energy: -20.469
Dist. restrs. and SS energy: 0.056 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -333.346559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.346559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.479563 (E_RNA)
where:
Base-Base interactions energy: -217.407
where: short stacking energy: -83.053
Base-Backbone interact. energy: -0.144
local terms energy: -115.928782
where:
bonds (distance) C4'-P energy: -25.298
bonds (distance) P-C4' energy: -15.172
flat angles C4'-P-C4' energy: -30.657
flat angles P-C4'-P energy: -16.271
tors. eta vs tors. theta energy: -28.532
Dist. restrs. and SS energy: 0.133 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -321.675712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.675712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.920284 (E_RNA)
where:
Base-Base interactions energy: -216.014
where: short stacking energy: -80.183
Base-Backbone interact. energy: -0.523
local terms energy: -105.382601
where:
bonds (distance) C4'-P energy: -22.457
bonds (distance) P-C4' energy: -25.738
flat angles C4'-P-C4' energy: -27.793
flat angles P-C4'-P energy: -8.951
tors. eta vs tors. theta energy: -20.444
Dist. restrs. and SS energy: 0.245 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -329.265452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.265452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.648874 (E_RNA)
where:
Base-Base interactions energy: -225.819
where: short stacking energy: -91.172
Base-Backbone interact. energy: 0.879
local terms energy: -104.709107
where:
bonds (distance) C4'-P energy: -26.444
bonds (distance) P-C4' energy: -23.015
flat angles C4'-P-C4' energy: -23.822
flat angles P-C4'-P energy: -7.187
tors. eta vs tors. theta energy: -24.241
Dist. restrs. and SS energy: 0.383 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -427.205619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.205619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.535245 (E_RNA)
where:
Base-Base interactions energy: -290.732
where: short stacking energy: -119.796
Base-Backbone interact. energy: -1.581
local terms energy: -135.221658
where:
bonds (distance) C4'-P energy: -30.459
bonds (distance) P-C4' energy: -29.108
flat angles C4'-P-C4' energy: -31.244
flat angles P-C4'-P energy: -12.425
tors. eta vs tors. theta energy: -31.984
Dist. restrs. and SS energy: 0.330 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -410.495712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.495712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.561510 (E_RNA)
where:
Base-Base interactions energy: -283.556
where: short stacking energy: -115.187
Base-Backbone interact. energy: -0.539
local terms energy: -126.466425
where:
bonds (distance) C4'-P energy: -29.917
bonds (distance) P-C4' energy: -21.030
flat angles C4'-P-C4' energy: -23.468
flat angles P-C4'-P energy: -18.243
tors. eta vs tors. theta energy: -33.808
Dist. restrs. and SS energy: 0.066 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -404.480199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.480199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.830080 (E_RNA)
where:
Base-Base interactions energy: -269.721
where: short stacking energy: -103.889
Base-Backbone interact. energy: -0.338
local terms energy: -134.770382
where:
bonds (distance) C4'-P energy: -24.336
bonds (distance) P-C4' energy: -31.429
flat angles C4'-P-C4' energy: -30.130
flat angles P-C4'-P energy: -13.965
tors. eta vs tors. theta energy: -34.909
Dist. restrs. and SS energy: 0.350 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -422.574424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.574424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.433895 (E_RNA)
where:
Base-Base interactions energy: -298.874
where: short stacking energy: -114.238
Base-Backbone interact. energy: 5.088
local terms energy: -129.647548
where:
bonds (distance) C4'-P energy: -24.098
bonds (distance) P-C4' energy: -28.101
flat angles C4'-P-C4' energy: -28.835
flat angles P-C4'-P energy: -15.331
tors. eta vs tors. theta energy: -33.283
Dist. restrs. and SS energy: 0.859 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -398.365579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.365579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.429847 (E_RNA)
where:
Base-Base interactions energy: -276.347
where: short stacking energy: -107.642
Base-Backbone interact. energy: -0.779
local terms energy: -121.303648
where:
bonds (distance) C4'-P energy: -27.046
bonds (distance) P-C4' energy: -19.290
flat angles C4'-P-C4' energy: -26.555
flat angles P-C4'-P energy: -16.401
tors. eta vs tors. theta energy: -32.011
Dist. restrs. and SS energy: 0.064 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -374.948435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.948435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.119259 (E_RNA)
where:
Base-Base interactions energy: -253.620
where: short stacking energy: -102.636
Base-Backbone interact. energy: -0.475
local terms energy: -121.024224
where:
bonds (distance) C4'-P energy: -25.139
bonds (distance) P-C4' energy: -24.306
flat angles C4'-P-C4' energy: -28.372
flat angles P-C4'-P energy: -16.554
tors. eta vs tors. theta energy: -26.652
Dist. restrs. and SS energy: 0.171 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -337.978975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.978975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.114100 (E_RNA)
where:
Base-Base interactions energy: -226.800
where: short stacking energy: -88.884
Base-Backbone interact. energy: -0.545
local terms energy: -110.768429
where:
bonds (distance) C4'-P energy: -18.694
bonds (distance) P-C4' energy: -24.984
flat angles C4'-P-C4' energy: -24.036
flat angles P-C4'-P energy: -15.932
tors. eta vs tors. theta energy: -27.122
Dist. restrs. and SS energy: 0.135 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -340.641643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.641643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.769006 (E_RNA)
where:
Base-Base interactions energy: -223.365
where: short stacking energy: -94.845
Base-Backbone interact. energy: -0.220
local terms energy: -117.184645
where:
bonds (distance) C4'-P energy: -24.854
bonds (distance) P-C4' energy: -26.918
flat angles C4'-P-C4' energy: -23.655
flat angles P-C4'-P energy: -13.563
tors. eta vs tors. theta energy: -28.195
Dist. restrs. and SS energy: 0.127 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -346.172493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.172493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.423182 (E_RNA)
where:
Base-Base interactions energy: -233.271
where: short stacking energy: -93.833
Base-Backbone interact. energy: 1.331
local terms energy: -114.483592
where:
bonds (distance) C4'-P energy: -21.348
bonds (distance) P-C4' energy: -27.933
flat angles C4'-P-C4' energy: -23.270
flat angles P-C4'-P energy: -14.770
tors. eta vs tors. theta energy: -27.163
Dist. restrs. and SS energy: 0.251 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -312.828438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.828438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.048626 (E_RNA)
where:
Base-Base interactions energy: -213.456
where: short stacking energy: -77.742
Base-Backbone interact. energy: 0.075
local terms energy: -99.666933
where:
bonds (distance) C4'-P energy: -17.733
bonds (distance) P-C4' energy: -21.151
flat angles C4'-P-C4' energy: -22.046
flat angles P-C4'-P energy: -15.831
tors. eta vs tors. theta energy: -22.905
Dist. restrs. and SS energy: 0.220 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -435.404765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.404765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.512762 (E_RNA)
where:
Base-Base interactions energy: -293.806
where: short stacking energy: -125.028
Base-Backbone interact. energy: -0.183
local terms energy: -141.523940
where:
bonds (distance) C4'-P energy: -30.193
bonds (distance) P-C4' energy: -27.969
flat angles C4'-P-C4' energy: -28.774
flat angles P-C4'-P energy: -20.351
tors. eta vs tors. theta energy: -34.237
Dist. restrs. and SS energy: 0.108 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -406.604655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.604655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.634339 (E_RNA)
where:
Base-Base interactions energy: -272.825
where: short stacking energy: -100.048
Base-Backbone interact. energy: -0.571
local terms energy: -133.238952
where:
bonds (distance) C4'-P energy: -28.855
bonds (distance) P-C4' energy: -29.405
flat angles C4'-P-C4' energy: -24.959
flat angles P-C4'-P energy: -13.899
tors. eta vs tors. theta energy: -36.120
Dist. restrs. and SS energy: 0.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -389.402400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.402400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.434949 (E_RNA)
where:
Base-Base interactions energy: -257.416
where: short stacking energy: -98.016
Base-Backbone interact. energy: 0.215
local terms energy: -132.233613
where:
bonds (distance) C4'-P energy: -26.539
bonds (distance) P-C4' energy: -27.547
flat angles C4'-P-C4' energy: -28.928
flat angles P-C4'-P energy: -18.312
tors. eta vs tors. theta energy: -30.908
Dist. restrs. and SS energy: 0.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -411.865031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.865031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.934515 (E_RNA)
where:
Base-Base interactions energy: -283.481
where: short stacking energy: -103.930
Base-Backbone interact. energy: -0.607
local terms energy: -127.846556
where:
bonds (distance) C4'-P energy: -20.223
bonds (distance) P-C4' energy: -29.443
flat angles C4'-P-C4' energy: -27.790
flat angles P-C4'-P energy: -18.407
tors. eta vs tors. theta energy: -31.983
Dist. restrs. and SS energy: 0.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -383.980634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.980634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.140734 (E_RNA)
where:
Base-Base interactions energy: -263.352
where: short stacking energy: -103.832
Base-Backbone interact. energy: -0.447
local terms energy: -120.341802
where:
bonds (distance) C4'-P energy: -23.673
bonds (distance) P-C4' energy: -25.807
flat angles C4'-P-C4' energy: -32.642
flat angles P-C4'-P energy: -2.913
tors. eta vs tors. theta energy: -35.307
Dist. restrs. and SS energy: 0.160 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -364.277205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.277205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.531215 (E_RNA)
where:
Base-Base interactions energy: -237.164
where: short stacking energy: -92.653
Base-Backbone interact. energy: -0.773
local terms energy: -126.594606
where:
bonds (distance) C4'-P energy: -26.358
bonds (distance) P-C4' energy: -26.868
flat angles C4'-P-C4' energy: -25.435
flat angles P-C4'-P energy: -20.403
tors. eta vs tors. theta energy: -27.530
Dist. restrs. and SS energy: 0.254 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -338.193030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.193030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.458516 (E_RNA)
where:
Base-Base interactions energy: -227.645
where: short stacking energy: -88.847
Base-Backbone interact. energy: -0.308
local terms energy: -110.505584
where:
bonds (distance) C4'-P energy: -18.739
bonds (distance) P-C4' energy: -27.994
flat angles C4'-P-C4' energy: -25.654
flat angles P-C4'-P energy: -13.173
tors. eta vs tors. theta energy: -24.944
Dist. restrs. and SS energy: 0.265 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -330.819837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.819837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.298641 (E_RNA)
where:
Base-Base interactions energy: -224.996
where: short stacking energy: -86.904
Base-Backbone interact. energy: -0.256
local terms energy: -106.046066
where:
bonds (distance) C4'-P energy: -25.541
bonds (distance) P-C4' energy: -21.673
flat angles C4'-P-C4' energy: -25.115
flat angles P-C4'-P energy: -15.599
tors. eta vs tors. theta energy: -18.117
Dist. restrs. and SS energy: 0.479 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -324.777082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.777082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.783024 (E_RNA)
where:
Base-Base interactions energy: -216.148
where: short stacking energy: -79.702
Base-Backbone interact. energy: 0.116
local terms energy: -109.750715
where:
bonds (distance) C4'-P energy: -28.030
bonds (distance) P-C4' energy: -26.575
flat angles C4'-P-C4' energy: -21.032
flat angles P-C4'-P energy: -11.442
tors. eta vs tors. theta energy: -22.672
Dist. restrs. and SS energy: 1.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -319.515284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.515284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.600193 (E_RNA)
where:
Base-Base interactions energy: -218.826
where: short stacking energy: -79.991
Base-Backbone interact. energy: -0.303
local terms energy: -100.471312
where:
bonds (distance) C4'-P energy: -17.207
bonds (distance) P-C4' energy: -22.631
flat angles C4'-P-C4' energy: -24.633
flat angles P-C4'-P energy: -15.504
tors. eta vs tors. theta energy: -20.496
Dist. restrs. and SS energy: 0.085 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -431.480749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.480749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.751774 (E_RNA)
where:
Base-Base interactions energy: -290.726
where: short stacking energy: -125.184
Base-Backbone interact. energy: -0.250
local terms energy: -140.775508
where:
bonds (distance) C4'-P energy: -25.753
bonds (distance) P-C4' energy: -29.710
flat angles C4'-P-C4' energy: -26.958
flat angles P-C4'-P energy: -20.461
tors. eta vs tors. theta energy: -37.893
Dist. restrs. and SS energy: 0.271 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -416.152910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.152910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.401220 (E_RNA)
where:
Base-Base interactions energy: -278.800
where: short stacking energy: -115.048
Base-Backbone interact. energy: -0.492
local terms energy: -137.109484
where:
bonds (distance) C4'-P energy: -27.914
bonds (distance) P-C4' energy: -28.884
flat angles C4'-P-C4' energy: -29.858
flat angles P-C4'-P energy: -20.188
tors. eta vs tors. theta energy: -30.265
Dist. restrs. and SS energy: 0.248 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -418.543606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.543606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.229741 (E_RNA)
where:
Base-Base interactions energy: -295.861
where: short stacking energy: -111.001
Base-Backbone interact. energy: -0.453
local terms energy: -122.915418
where:
bonds (distance) C4'-P energy: -28.197
bonds (distance) P-C4' energy: -28.561
flat angles C4'-P-C4' energy: -28.522
flat angles P-C4'-P energy: -8.502
tors. eta vs tors. theta energy: -29.134
Dist. restrs. and SS energy: 0.686 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -398.526080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.526080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.946480 (E_RNA)
where:
Base-Base interactions energy: -271.839
where: short stacking energy: -110.294
Base-Backbone interact. energy: -1.101
local terms energy: -126.006734
where:
bonds (distance) C4'-P energy: -25.968
bonds (distance) P-C4' energy: -26.539
flat angles C4'-P-C4' energy: -22.515
flat angles P-C4'-P energy: -16.311
tors. eta vs tors. theta energy: -34.673
Dist. restrs. and SS energy: 0.420 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -370.261835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.261835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.446884 (E_RNA)
where:
Base-Base interactions energy: -250.561
where: short stacking energy: -108.268
Base-Backbone interact. energy: -0.160
local terms energy: -119.726351
where:
bonds (distance) C4'-P energy: -26.813
bonds (distance) P-C4' energy: -27.121
flat angles C4'-P-C4' energy: -24.402
flat angles P-C4'-P energy: -15.586
tors. eta vs tors. theta energy: -25.806
Dist. restrs. and SS energy: 0.185 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -374.280203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.280203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.832472 (E_RNA)
where:
Base-Base interactions energy: -255.647
where: short stacking energy: -97.177
Base-Backbone interact. energy: -0.270
local terms energy: -118.915828
where:
bonds (distance) C4'-P energy: -26.858
bonds (distance) P-C4' energy: -30.422
flat angles C4'-P-C4' energy: -21.504
flat angles P-C4'-P energy: -14.423
tors. eta vs tors. theta energy: -25.709
Dist. restrs. and SS energy: 0.552 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -328.380819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.380819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.682042 (E_RNA)
where:
Base-Base interactions energy: -223.372
where: short stacking energy: -88.484
Base-Backbone interact. energy: -0.524
local terms energy: -104.786513
where:
bonds (distance) C4'-P energy: -19.354
bonds (distance) P-C4' energy: -26.114
flat angles C4'-P-C4' energy: -25.456
flat angles P-C4'-P energy: -12.231
tors. eta vs tors. theta energy: -21.632
Dist. restrs. and SS energy: 0.301 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -337.321784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.321784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.945704 (E_RNA)
where:
Base-Base interactions energy: -218.965
where: short stacking energy: -95.756
Base-Backbone interact. energy: -0.228
local terms energy: -118.752985
where:
bonds (distance) C4'-P energy: -25.844
bonds (distance) P-C4' energy: -18.004
flat angles C4'-P-C4' energy: -24.003
flat angles P-C4'-P energy: -21.810
tors. eta vs tors. theta energy: -29.092
Dist. restrs. and SS energy: 0.624 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -320.780817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.780817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.223828 (E_RNA)
where:
Base-Base interactions energy: -221.261
where: short stacking energy: -85.323
Base-Backbone interact. energy: -1.401
local terms energy: -98.561955
where:
bonds (distance) C4'-P energy: -20.080
bonds (distance) P-C4' energy: -21.443
flat angles C4'-P-C4' energy: -22.103
flat angles P-C4'-P energy: -12.793
tors. eta vs tors. theta energy: -22.142
Dist. restrs. and SS energy: 0.443 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -310.158995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.158995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.822055 (E_RNA)
where:
Base-Base interactions energy: -203.846
where: short stacking energy: -65.299
Base-Backbone interact. energy: -0.327
local terms energy: -106.648477
where:
bonds (distance) C4'-P energy: -25.405
bonds (distance) P-C4' energy: -24.371
flat angles C4'-P-C4' energy: -23.159
flat angles P-C4'-P energy: -15.852
tors. eta vs tors. theta energy: -17.862
Dist. restrs. and SS energy: 0.663 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -432.607545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.607545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.814895 (E_RNA)
where:
Base-Base interactions energy: -295.727
where: short stacking energy: -122.635
Base-Backbone interact. energy: -1.384
local terms energy: -135.704163
where:
bonds (distance) C4'-P energy: -26.241
bonds (distance) P-C4' energy: -26.738
flat angles C4'-P-C4' energy: -29.900
flat angles P-C4'-P energy: -17.716
tors. eta vs tors. theta energy: -35.109
Dist. restrs. and SS energy: 0.207 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -443.205646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.205646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.408442 (E_RNA)
where:
Base-Base interactions energy: -304.920
where: short stacking energy: -111.657
Base-Backbone interact. energy: -0.571
local terms energy: -137.917537
where:
bonds (distance) C4'-P energy: -23.741
bonds (distance) P-C4' energy: -29.274
flat angles C4'-P-C4' energy: -31.683
flat angles P-C4'-P energy: -17.725
tors. eta vs tors. theta energy: -35.496
Dist. restrs. and SS energy: 0.203 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -396.175645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.175645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.537269 (E_RNA)
where:
Base-Base interactions energy: -276.655
where: short stacking energy: -120.946
Base-Backbone interact. energy: -1.386
local terms energy: -118.496326
where:
bonds (distance) C4'-P energy: -23.062
bonds (distance) P-C4' energy: -28.528
flat angles C4'-P-C4' energy: -23.473
flat angles P-C4'-P energy: -12.930
tors. eta vs tors. theta energy: -30.502
Dist. restrs. and SS energy: 0.362 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -389.188380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.188380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.803128 (E_RNA)
where:
Base-Base interactions energy: -262.655
where: short stacking energy: -110.484
Base-Backbone interact. energy: -0.350
local terms energy: -126.797514
where:
bonds (distance) C4'-P energy: -11.857
bonds (distance) P-C4' energy: -34.261
flat angles C4'-P-C4' energy: -28.561
flat angles P-C4'-P energy: -17.280
tors. eta vs tors. theta energy: -34.838
Dist. restrs. and SS energy: 0.615 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -378.673502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.673502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.116599 (E_RNA)
where:
Base-Base interactions energy: -263.383
where: short stacking energy: -104.062
Base-Backbone interact. energy: -0.432
local terms energy: -115.300886
where:
bonds (distance) C4'-P energy: -21.169
bonds (distance) P-C4' energy: -22.285
flat angles C4'-P-C4' energy: -26.650
flat angles P-C4'-P energy: -15.885
tors. eta vs tors. theta energy: -29.312
Dist. restrs. and SS energy: 0.443 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -382.403255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.403255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.757246 (E_RNA)
where:
Base-Base interactions energy: -270.399
where: short stacking energy: -117.514
Base-Backbone interact. energy: -0.396
local terms energy: -111.961744
where:
bonds (distance) C4'-P energy: -23.744
bonds (distance) P-C4' energy: -15.872
flat angles C4'-P-C4' energy: -29.902
flat angles P-C4'-P energy: -10.895
tors. eta vs tors. theta energy: -31.549
Dist. restrs. and SS energy: 0.354 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -342.800647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.800647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.423978 (E_RNA)
where:
Base-Base interactions energy: -229.071
where: short stacking energy: -91.037
Base-Backbone interact. energy: -0.391
local terms energy: -113.962057
where:
bonds (distance) C4'-P energy: -21.435
bonds (distance) P-C4' energy: -25.806
flat angles C4'-P-C4' energy: -29.104
flat angles P-C4'-P energy: -13.534
tors. eta vs tors. theta energy: -24.083
Dist. restrs. and SS energy: 0.623 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -337.944514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.944514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.614713 (E_RNA)
where:
Base-Base interactions energy: -228.344
where: short stacking energy: -93.978
Base-Backbone interact. energy: -0.692
local terms energy: -109.578630
where:
bonds (distance) C4'-P energy: -17.129
bonds (distance) P-C4' energy: -24.444
flat angles C4'-P-C4' energy: -21.092
flat angles P-C4'-P energy: -20.939
tors. eta vs tors. theta energy: -25.975
Dist. restrs. and SS energy: 0.670 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -337.338028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.338028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.674667 (E_RNA)
where:
Base-Base interactions energy: -236.183
where: short stacking energy: -94.056
Base-Backbone interact. energy: -0.167
local terms energy: -102.324893
where:
bonds (distance) C4'-P energy: -19.137
bonds (distance) P-C4' energy: -26.776
flat angles C4'-P-C4' energy: -22.801
flat angles P-C4'-P energy: -6.959
tors. eta vs tors. theta energy: -26.652
Dist. restrs. and SS energy: 1.337 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -302.606971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.606971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.944467 (E_RNA)
where:
Base-Base interactions energy: -210.392
where: short stacking energy: -78.366
Base-Backbone interact. energy: -1.095
local terms energy: -91.457563
where:
bonds (distance) C4'-P energy: -17.578
bonds (distance) P-C4' energy: -18.278
flat angles C4'-P-C4' energy: -23.128
flat angles P-C4'-P energy: -12.715
tors. eta vs tors. theta energy: -19.759
Dist. restrs. and SS energy: 0.337 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -437.767386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.767386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.824396 (E_RNA)
where:
Base-Base interactions energy: -301.276
where: short stacking energy: -112.666
Base-Backbone interact. energy: -0.342
local terms energy: -136.206527
where:
bonds (distance) C4'-P energy: -24.943
bonds (distance) P-C4' energy: -25.812
flat angles C4'-P-C4' energy: -30.540
flat angles P-C4'-P energy: -19.661
tors. eta vs tors. theta energy: -35.251
Dist. restrs. and SS energy: 0.057 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -427.859016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.859016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.015758 (E_RNA)
where:
Base-Base interactions energy: -289.639
where: short stacking energy: -124.622
Base-Backbone interact. energy: -1.234
local terms energy: -137.142626
where:
bonds (distance) C4'-P energy: -30.542
bonds (distance) P-C4' energy: -29.570
flat angles C4'-P-C4' energy: -30.825
flat angles P-C4'-P energy: -12.832
tors. eta vs tors. theta energy: -33.374
Dist. restrs. and SS energy: 0.157 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -393.709660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.709660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.787970 (E_RNA)
where:
Base-Base interactions energy: -264.525
where: short stacking energy: -99.638
Base-Backbone interact. energy: -1.011
local terms energy: -128.252386
where:
bonds (distance) C4'-P energy: -26.143
bonds (distance) P-C4' energy: -30.520
flat angles C4'-P-C4' energy: -23.723
flat angles P-C4'-P energy: -18.456
tors. eta vs tors. theta energy: -29.411
Dist. restrs. and SS energy: 0.078 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -403.746025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.746025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.820703 (E_RNA)
where:
Base-Base interactions energy: -275.611
where: short stacking energy: -111.773
Base-Backbone interact. energy: 0.975
local terms energy: -129.184988
where:
bonds (distance) C4'-P energy: -25.173
bonds (distance) P-C4' energy: -27.226
flat angles C4'-P-C4' energy: -25.388
flat angles P-C4'-P energy: -17.214
tors. eta vs tors. theta energy: -34.183
Dist. restrs. and SS energy: 0.075 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -376.608478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.608478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.945016 (E_RNA)
where:
Base-Base interactions energy: -265.463
where: short stacking energy: -108.884
Base-Backbone interact. energy: -0.335
local terms energy: -111.147162
where:
bonds (distance) C4'-P energy: -21.832
bonds (distance) P-C4' energy: -19.816
flat angles C4'-P-C4' energy: -26.479
flat angles P-C4'-P energy: -17.739
tors. eta vs tors. theta energy: -25.281
Dist. restrs. and SS energy: 0.337 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -368.754696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.754696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.996506 (E_RNA)
where:
Base-Base interactions energy: -248.628
where: short stacking energy: -91.731
Base-Backbone interact. energy: -1.321
local terms energy: -119.048071
where:
bonds (distance) C4'-P energy: -19.919
bonds (distance) P-C4' energy: -26.600
flat angles C4'-P-C4' energy: -24.132
flat angles P-C4'-P energy: -20.786
tors. eta vs tors. theta energy: -27.612
Dist. restrs. and SS energy: 0.242 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -347.588625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.588625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.635276 (E_RNA)
where:
Base-Base interactions energy: -229.578
where: short stacking energy: -89.821
Base-Backbone interact. energy: -0.270
local terms energy: -117.787625
where:
bonds (distance) C4'-P energy: -22.200
bonds (distance) P-C4' energy: -25.599
flat angles C4'-P-C4' energy: -28.904
flat angles P-C4'-P energy: -20.096
tors. eta vs tors. theta energy: -20.988
Dist. restrs. and SS energy: 0.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -331.332024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.332024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.511345 (E_RNA)
where:
Base-Base interactions energy: -231.436
where: short stacking energy: -92.191
Base-Backbone interact. energy: -0.389
local terms energy: -99.686515
where:
bonds (distance) C4'-P energy: -22.436
bonds (distance) P-C4' energy: -25.377
flat angles C4'-P-C4' energy: -21.207
flat angles P-C4'-P energy: -11.254
tors. eta vs tors. theta energy: -19.413
Dist. restrs. and SS energy: 0.179 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -324.956053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.956053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.593668 (E_RNA)
where:
Base-Base interactions energy: -215.958
where: short stacking energy: -78.123
Base-Backbone interact. energy: -0.333
local terms energy: -109.302540
where:
bonds (distance) C4'-P energy: -30.190
bonds (distance) P-C4' energy: -23.298
flat angles C4'-P-C4' energy: -16.005
flat angles P-C4'-P energy: -19.507
tors. eta vs tors. theta energy: -20.303
Dist. restrs. and SS energy: 0.638 (S_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: 432
Temperature: 1.350000
Total energy: -313.762096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.762096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.976065 (E_RNA)
where:
Base-Base interactions energy: -224.757
where: short stacking energy: -75.231
Base-Backbone interact. energy: -1.356
local terms energy: -87.862626
where:
bonds (distance) C4'-P energy: -13.275
bonds (distance) P-C4' energy: -23.019
flat angles C4'-P-C4' energy: -18.053
flat angles P-C4'-P energy: -12.958
tors. eta vs tors. theta energy: -20.557
Dist. restrs. and SS energy: 0.214 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -438.932396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.932396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.032282 (E_RNA)
where:
Base-Base interactions energy: -302.370
where: short stacking energy: -117.183
Base-Backbone interact. energy: -0.319
local terms energy: -136.343668
where:
bonds (distance) C4'-P energy: -30.286
bonds (distance) P-C4' energy: -26.059
flat angles C4'-P-C4' energy: -30.418
flat angles P-C4'-P energy: -19.975
tors. eta vs tors. theta energy: -29.606
Dist. restrs. and SS energy: 0.100 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -401.417854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.417854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.513957 (E_RNA)
where:
Base-Base interactions energy: -267.406
where: short stacking energy: -115.938
Base-Backbone interact. energy: 0.717
local terms energy: -134.824599
where:
bonds (distance) C4'-P energy: -24.361
bonds (distance) P-C4' energy: -26.420
flat angles C4'-P-C4' energy: -32.866
flat angles P-C4'-P energy: -15.608
tors. eta vs tors. theta energy: -35.569
Dist. restrs. and SS energy: 0.096 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -410.002187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.002187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.031921 (E_RNA)
where:
Base-Base interactions energy: -283.796
where: short stacking energy: -116.127
Base-Backbone interact. energy: -0.356
local terms energy: -125.880135
where:
bonds (distance) C4'-P energy: -31.433
bonds (distance) P-C4' energy: -22.172
flat angles C4'-P-C4' energy: -28.147
flat angles P-C4'-P energy: -15.069
tors. eta vs tors. theta energy: -29.059
Dist. restrs. and SS energy: 0.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -400.865640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.865640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.339028 (E_RNA)
where:
Base-Base interactions energy: -280.892
where: short stacking energy: -109.688
Base-Backbone interact. energy: -1.138
local terms energy: -119.309270
where:
bonds (distance) C4'-P energy: -21.257
bonds (distance) P-C4' energy: -27.985
flat angles C4'-P-C4' energy: -27.053
flat angles P-C4'-P energy: -18.460
tors. eta vs tors. theta energy: -24.554
Dist. restrs. and SS energy: 0.473 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -382.835272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.835272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.979820 (E_RNA)
where:
Base-Base interactions energy: -259.701
where: short stacking energy: -104.523
Base-Backbone interact. energy: -0.186
local terms energy: -123.092218
where:
bonds (distance) C4'-P energy: -22.371
bonds (distance) P-C4' energy: -25.948
flat angles C4'-P-C4' energy: -29.998
flat angles P-C4'-P energy: -15.192
tors. eta vs tors. theta energy: -29.582
Dist. restrs. and SS energy: 0.145 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -369.988418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.988418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.442308 (E_RNA)
where:
Base-Base interactions energy: -242.858
where: short stacking energy: -94.147
Base-Backbone interact. energy: -0.399
local terms energy: -127.184727
where:
bonds (distance) C4'-P energy: -23.078
bonds (distance) P-C4' energy: -26.507
flat angles C4'-P-C4' energy: -29.565
flat angles P-C4'-P energy: -22.485
tors. eta vs tors. theta energy: -25.550
Dist. restrs. and SS energy: 0.454 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -348.160092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.160092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.308024 (E_RNA)
where:
Base-Base interactions energy: -227.718
where: short stacking energy: -90.576
Base-Backbone interact. energy: 3.578
local terms energy: -124.167423
where:
bonds (distance) C4'-P energy: -25.124
bonds (distance) P-C4' energy: -32.387
flat angles C4'-P-C4' energy: -21.162
flat angles P-C4'-P energy: -20.330
tors. eta vs tors. theta energy: -25.165
Dist. restrs. and SS energy: 0.148 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -323.191619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.191619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.189544 (E_RNA)
where:
Base-Base interactions energy: -226.269
where: short stacking energy: -86.871
Base-Backbone interact. energy: -0.038
local terms energy: -97.883076
where:
bonds (distance) C4'-P energy: -22.627
bonds (distance) P-C4' energy: -18.269
flat angles C4'-P-C4' energy: -26.911
flat angles P-C4'-P energy: -16.281
tors. eta vs tors. theta energy: -13.795
Dist. restrs. and SS energy: 0.998 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -321.542283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.542283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.934114 (E_RNA)
where:
Base-Base interactions energy: -208.559
where: short stacking energy: -81.052
Base-Backbone interact. energy: -0.156
local terms energy: -113.218457
where:
bonds (distance) C4'-P energy: -25.832
bonds (distance) P-C4' energy: -16.700
flat angles C4'-P-C4' energy: -32.362
flat angles P-C4'-P energy: -11.068
tors. eta vs tors. theta energy: -27.256
Dist. restrs. and SS energy: 0.392 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -324.452728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.452728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.793646 (E_RNA)
where:
Base-Base interactions energy: -208.493
where: short stacking energy: -81.151
Base-Backbone interact. energy: -0.388
local terms energy: -115.912596
where:
bonds (distance) C4'-P energy: -23.076
bonds (distance) P-C4' energy: -28.693
flat angles C4'-P-C4' energy: -27.329
flat angles P-C4'-P energy: -18.234
tors. eta vs tors. theta energy: -18.581
Dist. restrs. and SS energy: 0.341 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -438.307906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.307906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.775177 (E_RNA)
where:
Base-Base interactions energy: -307.879
where: short stacking energy: -115.110
Base-Backbone interact. energy: -0.385
local terms energy: -130.512050
where:
bonds (distance) C4'-P energy: -24.119
bonds (distance) P-C4' energy: -26.363
flat angles C4'-P-C4' energy: -29.404
flat angles P-C4'-P energy: -17.451
tors. eta vs tors. theta energy: -33.175
Dist. restrs. and SS energy: 0.467 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -392.543842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.543842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.808648 (E_RNA)
where:
Base-Base interactions energy: -265.663
where: short stacking energy: -108.477
Base-Backbone interact. energy: 0.124
local terms energy: -127.269424
where:
bonds (distance) C4'-P energy: -26.585
bonds (distance) P-C4' energy: -21.963
flat angles C4'-P-C4' energy: -26.045
flat angles P-C4'-P energy: -21.558
tors. eta vs tors. theta energy: -31.118
Dist. restrs. and SS energy: 0.265 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -396.467753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.467753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.060060 (E_RNA)
where:
Base-Base interactions energy: -273.167
where: short stacking energy: -108.992
Base-Backbone interact. energy: -0.826
local terms energy: -123.066400
where:
bonds (distance) C4'-P energy: -21.346
bonds (distance) P-C4' energy: -26.995
flat angles C4'-P-C4' energy: -26.176
flat angles P-C4'-P energy: -19.752
tors. eta vs tors. theta energy: -28.797
Dist. restrs. and SS energy: 0.592 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -398.398393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.398393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.471367 (E_RNA)
where:
Base-Base interactions energy: -280.453
where: short stacking energy: -112.416
Base-Backbone interact. energy: -0.256
local terms energy: -117.762408
where:
bonds (distance) C4'-P energy: -19.964
bonds (distance) P-C4' energy: -27.492
flat angles C4'-P-C4' energy: -25.203
flat angles P-C4'-P energy: -11.733
tors. eta vs tors. theta energy: -33.370
Dist. restrs. and SS energy: 0.073 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -396.736061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.736061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.943852 (E_RNA)
where:
Base-Base interactions energy: -274.289
where: short stacking energy: -116.929
Base-Backbone interact. energy: -0.417
local terms energy: -122.238406
where:
bonds (distance) C4'-P energy: -24.206
bonds (distance) P-C4' energy: -26.789
flat angles C4'-P-C4' energy: -24.176
flat angles P-C4'-P energy: -16.803
tors. eta vs tors. theta energy: -30.264
Dist. restrs. and SS energy: 0.208 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -370.774137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.774137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.027742 (E_RNA)
where:
Base-Base interactions energy: -248.402
where: short stacking energy: -96.698
Base-Backbone interact. energy: -0.423
local terms energy: -122.202311
where:
bonds (distance) C4'-P energy: -25.352
bonds (distance) P-C4' energy: -29.403
flat angles C4'-P-C4' energy: -26.869
flat angles P-C4'-P energy: -16.446
tors. eta vs tors. theta energy: -24.133
Dist. restrs. and SS energy: 0.254 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -355.161572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.161572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.143795 (E_RNA)
where:
Base-Base interactions energy: -231.334
where: short stacking energy: -96.497
Base-Backbone interact. energy: -1.029
local terms energy: -123.779987
where:
bonds (distance) C4'-P energy: -30.039
bonds (distance) P-C4' energy: -27.729
flat angles C4'-P-C4' energy: -28.072
flat angles P-C4'-P energy: -22.905
tors. eta vs tors. theta energy: -15.034
Dist. restrs. and SS energy: 0.982 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -344.901779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.901779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.536594 (E_RNA)
where:
Base-Base interactions energy: -235.966
where: short stacking energy: -80.287
Base-Backbone interact. energy: -0.287
local terms energy: -109.283976
where:
bonds (distance) C4'-P energy: -26.194
bonds (distance) P-C4' energy: -21.159
flat angles C4'-P-C4' energy: -20.469
flat angles P-C4'-P energy: -19.452
tors. eta vs tors. theta energy: -22.009
Dist. restrs. and SS energy: 0.635 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -343.151948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.151948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.205008 (E_RNA)
where:
Base-Base interactions energy: -230.264
where: short stacking energy: -81.895
Base-Backbone interact. energy: 1.260
local terms energy: -114.201571
where:
bonds (distance) C4'-P energy: -25.931
bonds (distance) P-C4' energy: -25.230
flat angles C4'-P-C4' energy: -27.186
flat angles P-C4'-P energy: -9.461
tors. eta vs tors. theta energy: -26.394
Dist. restrs. and SS energy: 0.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -310.808521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.808521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.096034 (E_RNA)
where:
Base-Base interactions energy: -210.807
where: short stacking energy: -72.612
Base-Backbone interact. energy: 0.554
local terms energy: -100.843520
where:
bonds (distance) C4'-P energy: -17.151
bonds (distance) P-C4' energy: -21.372
flat angles C4'-P-C4' energy: -28.628
flat angles P-C4'-P energy: -9.258
tors. eta vs tors. theta energy: -24.434
Dist. restrs. and SS energy: 0.288 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -438.510782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.510782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.898802 (E_RNA)
where:
Base-Base interactions energy: -304.326
where: short stacking energy: -118.156
Base-Backbone interact. energy: -0.857
local terms energy: -133.715640
where:
bonds (distance) C4'-P energy: -25.028
bonds (distance) P-C4' energy: -29.493
flat angles C4'-P-C4' energy: -29.197
flat angles P-C4'-P energy: -17.999
tors. eta vs tors. theta energy: -31.999
Dist. restrs. and SS energy: 0.388 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -379.663195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.663195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.767040 (E_RNA)
where:
Base-Base interactions energy: -247.728
where: short stacking energy: -96.950
Base-Backbone interact. energy: 0.374
local terms energy: -132.413353
where:
bonds (distance) C4'-P energy: -28.915
bonds (distance) P-C4' energy: -28.651
flat angles C4'-P-C4' energy: -26.426
flat angles P-C4'-P energy: -20.663
tors. eta vs tors. theta energy: -27.758
Dist. restrs. and SS energy: 0.104 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -418.405910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.405910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.850623 (E_RNA)
where:
Base-Base interactions energy: -290.070
where: short stacking energy: -113.028
Base-Backbone interact. energy: -0.448
local terms energy: -128.332734
where:
bonds (distance) C4'-P energy: -21.915
bonds (distance) P-C4' energy: -24.945
flat angles C4'-P-C4' energy: -28.918
flat angles P-C4'-P energy: -17.109
tors. eta vs tors. theta energy: -35.446
Dist. restrs. and SS energy: 0.445 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -395.980698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.980698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.437789 (E_RNA)
where:
Base-Base interactions energy: -274.430
where: short stacking energy: -104.534
Base-Backbone interact. energy: -0.289
local terms energy: -121.718416
where:
bonds (distance) C4'-P energy: -20.454
bonds (distance) P-C4' energy: -27.823
flat angles C4'-P-C4' energy: -25.968
flat angles P-C4'-P energy: -16.954
tors. eta vs tors. theta energy: -30.521
Dist. restrs. and SS energy: 0.457 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -390.838175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.838175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.117847 (E_RNA)
where:
Base-Base interactions energy: -258.003
where: short stacking energy: -109.512
Base-Backbone interact. energy: -0.197
local terms energy: -132.917448
where:
bonds (distance) C4'-P energy: -27.426
bonds (distance) P-C4' energy: -26.216
flat angles C4'-P-C4' energy: -27.321
flat angles P-C4'-P energy: -16.463
tors. eta vs tors. theta energy: -35.492
Dist. restrs. and SS energy: 0.280 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -351.626347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.626347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.040421 (E_RNA)
where:
Base-Base interactions energy: -239.473
where: short stacking energy: -95.292
Base-Backbone interact. energy: -0.672
local terms energy: -111.895294
where:
bonds (distance) C4'-P energy: -21.706
bonds (distance) P-C4' energy: -19.361
flat angles C4'-P-C4' energy: -28.978
flat angles P-C4'-P energy: -18.016
tors. eta vs tors. theta energy: -23.835
Dist. restrs. and SS energy: 0.414 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -342.822091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.822091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.094149 (E_RNA)
where:
Base-Base interactions energy: -237.804
where: short stacking energy: -83.908
Base-Backbone interact. energy: 1.046
local terms energy: -107.335806
where:
bonds (distance) C4'-P energy: -19.269
bonds (distance) P-C4' energy: -26.549
flat angles C4'-P-C4' energy: -29.077
flat angles P-C4'-P energy: -10.964
tors. eta vs tors. theta energy: -21.476
Dist. restrs. and SS energy: 1.272 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -337.930076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.930076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.551376 (E_RNA)
where:
Base-Base interactions energy: -223.643
where: short stacking energy: -94.350
Base-Backbone interact. energy: -0.828
local terms energy: -114.080728
where:
bonds (distance) C4'-P energy: -20.139
bonds (distance) P-C4' energy: -30.115
flat angles C4'-P-C4' energy: -28.126
flat angles P-C4'-P energy: -11.545
tors. eta vs tors. theta energy: -24.155
Dist. restrs. and SS energy: 0.621 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -335.145129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.145129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.878080 (E_RNA)
where:
Base-Base interactions energy: -232.750
where: short stacking energy: -96.982
Base-Backbone interact. energy: -0.556
local terms energy: -102.571858
where:
bonds (distance) C4'-P energy: -15.480
bonds (distance) P-C4' energy: -22.701
flat angles C4'-P-C4' energy: -29.789
flat angles P-C4'-P energy: -4.815
tors. eta vs tors. theta energy: -29.787
Dist. restrs. and SS energy: 0.733 (S_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: 435
Temperature: 1.350000
Total energy: -318.099474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.099474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.750267 (E_RNA)
where:
Base-Base interactions energy: -219.332
where: short stacking energy: -89.966
Base-Backbone interact. energy: -0.239
local terms energy: -99.179454
where:
bonds (distance) C4'-P energy: -19.259
bonds (distance) P-C4' energy: -16.984
flat angles C4'-P-C4' energy: -28.144
flat angles P-C4'-P energy: -15.443
tors. eta vs tors. theta energy: -19.350
Dist. restrs. and SS energy: 0.651 (S_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: 436
Temperature: 0.900000
Total energy: -430.922130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.922130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.241960 (E_RNA)
where:
Base-Base interactions energy: -305.219
where: short stacking energy: -111.873
Base-Backbone interact. energy: -0.685
local terms energy: -125.338509
where:
bonds (distance) C4'-P energy: -25.728
bonds (distance) P-C4' energy: -24.658
flat angles C4'-P-C4' energy: -27.705
flat angles P-C4'-P energy: -17.826
tors. eta vs tors. theta energy: -29.421
Dist. restrs. and SS energy: 0.320 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -388.248438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.248438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.253812 (E_RNA)
where:
Base-Base interactions energy: -254.333
where: short stacking energy: -104.648
Base-Backbone interact. energy: -0.151
local terms energy: -133.769101
where:
bonds (distance) C4'-P energy: -29.115
bonds (distance) P-C4' energy: -29.311
flat angles C4'-P-C4' energy: -30.658
flat angles P-C4'-P energy: -17.208
tors. eta vs tors. theta energy: -27.478
Dist. restrs. and SS energy: 0.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -405.892140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.892140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.144045 (E_RNA)
where:
Base-Base interactions energy: -269.343
where: short stacking energy: -113.844
Base-Backbone interact. energy: 0.122
local terms energy: -136.922322
where:
bonds (distance) C4'-P energy: -29.478
bonds (distance) P-C4' energy: -29.787
flat angles C4'-P-C4' energy: -27.190
flat angles P-C4'-P energy: -18.395
tors. eta vs tors. theta energy: -32.073
Dist. restrs. and SS energy: 0.252 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -415.345310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.345310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.547437 (E_RNA)
where:
Base-Base interactions energy: -290.477
where: short stacking energy: -114.495
Base-Backbone interact. energy: -0.786
local terms energy: -124.284998
where:
bonds (distance) C4'-P energy: -18.606
bonds (distance) P-C4' energy: -27.392
flat angles C4'-P-C4' energy: -27.286
flat angles P-C4'-P energy: -20.385
tors. eta vs tors. theta energy: -30.616
Dist. restrs. and SS energy: 0.202 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -378.415162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.415162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.472200 (E_RNA)
where:
Base-Base interactions energy: -256.663
where: short stacking energy: -103.585
Base-Backbone interact. energy: 0.987
local terms energy: -122.795867
where:
bonds (distance) C4'-P energy: -21.403
bonds (distance) P-C4' energy: -30.039
flat angles C4'-P-C4' energy: -25.085
flat angles P-C4'-P energy: -18.767
tors. eta vs tors. theta energy: -27.502
Dist. restrs. and SS energy: 0.057 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -383.870593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.870593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.396173 (E_RNA)
where:
Base-Base interactions energy: -261.197
where: short stacking energy: -105.372
Base-Backbone interact. energy: -0.225
local terms energy: -122.974342
where:
bonds (distance) C4'-P energy: -24.618
bonds (distance) P-C4' energy: -22.724
flat angles C4'-P-C4' energy: -27.920
flat angles P-C4'-P energy: -14.279
tors. eta vs tors. theta energy: -33.433
Dist. restrs. and SS energy: 0.526 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -345.624415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.624415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.071374 (E_RNA)
where:
Base-Base interactions energy: -222.924
where: short stacking energy: -92.943
Base-Backbone interact. energy: 0.249
local terms energy: -123.396142
where:
bonds (distance) C4'-P energy: -28.456
bonds (distance) P-C4' energy: -22.357
flat angles C4'-P-C4' energy: -26.860
flat angles P-C4'-P energy: -20.251
tors. eta vs tors. theta energy: -25.472
Dist. restrs. and SS energy: 0.447 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -350.450373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.450373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.681163 (E_RNA)
where:
Base-Base interactions energy: -236.576
where: short stacking energy: -97.536
Base-Backbone interact. energy: 0.534
local terms energy: -115.639664
where:
bonds (distance) C4'-P energy: -22.751
bonds (distance) P-C4' energy: -25.544
flat angles C4'-P-C4' energy: -23.313
flat angles P-C4'-P energy: -19.703
tors. eta vs tors. theta energy: -24.328
Dist. restrs. and SS energy: 1.231 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -327.247339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.247339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.238053 (E_RNA)
where:
Base-Base interactions energy: -227.465
where: short stacking energy: -94.732
Base-Backbone interact. energy: -0.829
local terms energy: -99.944493
where:
bonds (distance) C4'-P energy: -24.017
bonds (distance) P-C4' energy: -19.688
flat angles C4'-P-C4' energy: -18.511
flat angles P-C4'-P energy: -18.859
tors. eta vs tors. theta energy: -18.869
Dist. restrs. and SS energy: 0.991 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -318.009920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.009920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.915429 (E_RNA)
where:
Base-Base interactions energy: -219.170
where: short stacking energy: -80.665
Base-Backbone interact. energy: -0.107
local terms energy: -99.638550
where:
bonds (distance) C4'-P energy: -19.290
bonds (distance) P-C4' energy: -24.956
flat angles C4'-P-C4' energy: -19.179
flat angles P-C4'-P energy: -17.831
tors. eta vs tors. theta energy: -18.382
Dist. restrs. and SS energy: 0.906 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -428.354570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.354570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.709444 (E_RNA)
where:
Base-Base interactions energy: -304.234
where: short stacking energy: -113.463
Base-Backbone interact. energy: -0.911
local terms energy: -123.564581
where:
bonds (distance) C4'-P energy: -29.566
bonds (distance) P-C4' energy: -25.188
flat angles C4'-P-C4' energy: -25.570
flat angles P-C4'-P energy: -13.615
tors. eta vs tors. theta energy: -29.625
Dist. restrs. and SS energy: 0.355 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -413.317251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.317251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.426655 (E_RNA)
where:
Base-Base interactions energy: -280.828
where: short stacking energy: -111.243
Base-Backbone interact. energy: -0.668
local terms energy: -131.931088
where:
bonds (distance) C4'-P energy: -28.718
bonds (distance) P-C4' energy: -28.492
flat angles C4'-P-C4' energy: -30.467
flat angles P-C4'-P energy: -13.467
tors. eta vs tors. theta energy: -30.788
Dist. restrs. and SS energy: 0.109 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -382.485668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.485668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.608452 (E_RNA)
where:
Base-Base interactions energy: -251.031
where: short stacking energy: -118.108
Base-Backbone interact. energy: -0.560
local terms energy: -131.017511
where:
bonds (distance) C4'-P energy: -28.606
bonds (distance) P-C4' energy: -26.485
flat angles C4'-P-C4' energy: -26.356
flat angles P-C4'-P energy: -17.243
tors. eta vs tors. theta energy: -32.327
Dist. restrs. and SS energy: 0.123 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -413.546827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.546827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.933575 (E_RNA)
where:
Base-Base interactions energy: -298.642
where: short stacking energy: -107.834
Base-Backbone interact. energy: -0.281
local terms energy: -115.010574
where:
bonds (distance) C4'-P energy: -21.339
bonds (distance) P-C4' energy: -22.372
flat angles C4'-P-C4' energy: -28.921
flat angles P-C4'-P energy: -13.858
tors. eta vs tors. theta energy: -28.520
Dist. restrs. and SS energy: 0.387 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -345.514305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.514305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.542596 (E_RNA)
where:
Base-Base interactions energy: -215.008
where: short stacking energy: -85.398
Base-Backbone interact. energy: 0.338
local terms energy: -130.873104
where:
bonds (distance) C4'-P energy: -27.777
bonds (distance) P-C4' energy: -29.446
flat angles C4'-P-C4' energy: -28.275
flat angles P-C4'-P energy: -20.298
tors. eta vs tors. theta energy: -25.077
Dist. restrs. and SS energy: 0.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -356.696503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.696503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.878168 (E_RNA)
where:
Base-Base interactions energy: -240.819
where: short stacking energy: -96.764
Base-Backbone interact. energy: -0.606
local terms energy: -115.453655
where:
bonds (distance) C4'-P energy: -19.919
bonds (distance) P-C4' energy: -24.190
flat angles C4'-P-C4' energy: -27.002
flat angles P-C4'-P energy: -21.171
tors. eta vs tors. theta energy: -23.171
Dist. restrs. and SS energy: 0.182 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -366.179049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.179049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.332517 (E_RNA)
where:
Base-Base interactions energy: -244.010
where: short stacking energy: -94.037
Base-Backbone interact. energy: -1.605
local terms energy: -120.718370
where:
bonds (distance) C4'-P energy: -22.214
bonds (distance) P-C4' energy: -25.991
flat angles C4'-P-C4' energy: -28.349
flat angles P-C4'-P energy: -17.514
tors. eta vs tors. theta energy: -26.652
Dist. restrs. and SS energy: 0.153 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -347.937945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.937945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.322069 (E_RNA)
where:
Base-Base interactions energy: -231.595
where: short stacking energy: -83.713
Base-Backbone interact. energy: 3.310
local terms energy: -120.037108
where:
bonds (distance) C4'-P energy: -24.884
bonds (distance) P-C4' energy: -26.486
flat angles C4'-P-C4' energy: -25.296
flat angles P-C4'-P energy: -21.330
tors. eta vs tors. theta energy: -22.042
Dist. restrs. and SS energy: 0.384 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -335.611889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.611889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.775703 (E_RNA)
where:
Base-Base interactions energy: -231.414
where: short stacking energy: -88.567
Base-Backbone interact. energy: 1.466
local terms energy: -105.828163
where:
bonds (distance) C4'-P energy: -24.441
bonds (distance) P-C4' energy: -20.465
flat angles C4'-P-C4' energy: -19.848
flat angles P-C4'-P energy: -20.187
tors. eta vs tors. theta energy: -20.886
Dist. restrs. and SS energy: 0.164 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -317.681645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.681645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.896081 (E_RNA)
where:
Base-Base interactions energy: -227.884
where: short stacking energy: -88.152
Base-Backbone interact. energy: 0.446
local terms energy: -90.458156
where:
bonds (distance) C4'-P energy: -18.132
bonds (distance) P-C4' energy: -21.811
flat angles C4'-P-C4' energy: -16.908
flat angles P-C4'-P energy: -14.169
tors. eta vs tors. theta energy: -19.438
Dist. restrs. and SS energy: 0.214 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -422.931724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.931724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.282155 (E_RNA)
where:
Base-Base interactions energy: -287.022
where: short stacking energy: -125.252
Base-Backbone interact. energy: -0.125
local terms energy: -136.134763
where:
bonds (distance) C4'-P energy: -22.221
bonds (distance) P-C4' energy: -29.291
flat angles C4'-P-C4' energy: -32.843
flat angles P-C4'-P energy: -16.080
tors. eta vs tors. theta energy: -35.700
Dist. restrs. and SS energy: 0.350 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -416.583491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.583491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.699717 (E_RNA)
where:
Base-Base interactions energy: -292.275
where: short stacking energy: -114.763
Base-Backbone interact. energy: -0.460
local terms energy: -123.964525
where:
bonds (distance) C4'-P energy: -26.389
bonds (distance) P-C4' energy: -25.474
flat angles C4'-P-C4' energy: -26.932
flat angles P-C4'-P energy: -16.748
tors. eta vs tors. theta energy: -28.422
Dist. restrs. and SS energy: 0.116 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -405.131386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.131386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.310031 (E_RNA)
where:
Base-Base interactions energy: -277.293
where: short stacking energy: -116.414
Base-Backbone interact. energy: -0.273
local terms energy: -127.744034
where:
bonds (distance) C4'-P energy: -22.501
bonds (distance) P-C4' energy: -30.069
flat angles C4'-P-C4' energy: -24.052
flat angles P-C4'-P energy: -17.677
tors. eta vs tors. theta energy: -33.445
Dist. restrs. and SS energy: 0.179 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -371.096251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.096251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.369032 (E_RNA)
where:
Base-Base interactions energy: -242.634
where: short stacking energy: -99.742
Base-Backbone interact. energy: -0.087
local terms energy: -128.647679
where:
bonds (distance) C4'-P energy: -29.744
bonds (distance) P-C4' energy: -29.002
flat angles C4'-P-C4' energy: -26.368
flat angles P-C4'-P energy: -13.398
tors. eta vs tors. theta energy: -30.136
Dist. restrs. and SS energy: 0.273 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -362.677555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.677555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.938551 (E_RNA)
where:
Base-Base interactions energy: -252.065
where: short stacking energy: -100.091
Base-Backbone interact. energy: -1.239
local terms energy: -109.634975
where:
bonds (distance) C4'-P energy: -21.097
bonds (distance) P-C4' energy: -30.392
flat angles C4'-P-C4' energy: -26.832
flat angles P-C4'-P energy: -10.415
tors. eta vs tors. theta energy: -20.900
Dist. restrs. and SS energy: 0.261 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -364.562810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.562810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.688506 (E_RNA)
where:
Base-Base interactions energy: -253.712
where: short stacking energy: -97.239
Base-Backbone interact. energy: 0.036
local terms energy: -111.012538
where:
bonds (distance) C4'-P energy: -24.599
bonds (distance) P-C4' energy: -25.796
flat angles C4'-P-C4' energy: -20.750
flat angles P-C4'-P energy: -11.485
tors. eta vs tors. theta energy: -28.381
Dist. restrs. and SS energy: 0.126 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -348.623669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.623669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.309160 (E_RNA)
where:
Base-Base interactions energy: -229.299
where: short stacking energy: -94.214
Base-Backbone interact. energy: -0.801
local terms energy: -119.209759
where:
bonds (distance) C4'-P energy: -20.193
bonds (distance) P-C4' energy: -29.664
flat angles C4'-P-C4' energy: -26.534
flat angles P-C4'-P energy: -16.719
tors. eta vs tors. theta energy: -26.099
Dist. restrs. and SS energy: 0.685 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -364.476707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.476707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.721570 (E_RNA)
where:
Base-Base interactions energy: -241.276
where: short stacking energy: -93.509
Base-Backbone interact. energy: -0.699
local terms energy: -122.745832
where:
bonds (distance) C4'-P energy: -26.246
bonds (distance) P-C4' energy: -26.308
flat angles C4'-P-C4' energy: -28.349
flat angles P-C4'-P energy: -9.159
tors. eta vs tors. theta energy: -32.684
Dist. restrs. and SS energy: 0.245 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -346.182665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.182665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.568485 (E_RNA)
where:
Base-Base interactions energy: -232.743
where: short stacking energy: -91.081
Base-Backbone interact. energy: -0.144
local terms energy: -113.681167
where:
bonds (distance) C4'-P energy: -26.328
bonds (distance) P-C4' energy: -23.955
flat angles C4'-P-C4' energy: -24.294
flat angles P-C4'-P energy: -15.763
tors. eta vs tors. theta energy: -23.342
Dist. restrs. and SS energy: 0.386 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -324.679065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.679065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.136112 (E_RNA)
where:
Base-Base interactions energy: -214.766
where: short stacking energy: -77.871
Base-Backbone interact. energy: 1.079
local terms energy: -111.448265
where:
bonds (distance) C4'-P energy: -19.824
bonds (distance) P-C4' energy: -27.524
flat angles C4'-P-C4' energy: -29.732
flat angles P-C4'-P energy: -14.567
tors. eta vs tors. theta energy: -19.802
Dist. restrs. and SS energy: 0.457 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -422.634526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.634526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.937773 (E_RNA)
where:
Base-Base interactions energy: -290.873
where: short stacking energy: -117.411
Base-Backbone interact. energy: -0.953
local terms energy: -131.111695
where:
bonds (distance) C4'-P energy: -29.246
bonds (distance) P-C4' energy: -28.375
flat angles C4'-P-C4' energy: -26.442
flat angles P-C4'-P energy: -12.446
tors. eta vs tors. theta energy: -34.602
Dist. restrs. and SS energy: 0.303 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -418.971819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.971819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.259367 (E_RNA)
where:
Base-Base interactions energy: -293.869
where: short stacking energy: -106.814
Base-Backbone interact. energy: -1.181
local terms energy: -124.208730
where:
bonds (distance) C4'-P energy: -23.969
bonds (distance) P-C4' energy: -25.523
flat angles C4'-P-C4' energy: -26.467
flat angles P-C4'-P energy: -18.470
tors. eta vs tors. theta energy: -29.780
Dist. restrs. and SS energy: 0.288 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -417.461224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.461224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.933694 (E_RNA)
where:
Base-Base interactions energy: -277.600
where: short stacking energy: -114.928
Base-Backbone interact. energy: -0.392
local terms energy: -139.940967
where:
bonds (distance) C4'-P energy: -29.741
bonds (distance) P-C4' energy: -28.657
flat angles C4'-P-C4' energy: -27.672
flat angles P-C4'-P energy: -20.352
tors. eta vs tors. theta energy: -33.519
Dist. restrs. and SS energy: 0.472 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -377.928185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.928185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.153713 (E_RNA)
where:
Base-Base interactions energy: -262.737
where: short stacking energy: -110.810
Base-Backbone interact. energy: 0.354
local terms energy: -115.771171
where:
bonds (distance) C4'-P energy: -21.290
bonds (distance) P-C4' energy: -25.153
flat angles C4'-P-C4' energy: -23.870
flat angles P-C4'-P energy: -13.709
tors. eta vs tors. theta energy: -31.749
Dist. restrs. and SS energy: 0.226 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -363.422834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.422834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.844614 (E_RNA)
where:
Base-Base interactions energy: -241.556
where: short stacking energy: -105.017
Base-Backbone interact. energy: -0.679
local terms energy: -121.609708
where:
bonds (distance) C4'-P energy: -25.792
bonds (distance) P-C4' energy: -23.379
flat angles C4'-P-C4' energy: -27.580
flat angles P-C4'-P energy: -19.399
tors. eta vs tors. theta energy: -25.459
Dist. restrs. and SS energy: 0.422 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -366.876221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.876221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.950674 (E_RNA)
where:
Base-Base interactions energy: -254.668
where: short stacking energy: -106.799
Base-Backbone interact. energy: -0.308
local terms energy: -111.974279
where:
bonds (distance) C4'-P energy: -14.683
bonds (distance) P-C4' energy: -28.629
flat angles C4'-P-C4' energy: -25.864
flat angles P-C4'-P energy: -12.086
tors. eta vs tors. theta energy: -30.712
Dist. restrs. and SS energy: 0.074 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -338.291210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.291210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.615429 (E_RNA)
where:
Base-Base interactions energy: -230.739
where: short stacking energy: -86.521
Base-Backbone interact. energy: 2.325
local terms energy: -110.201497
where:
bonds (distance) C4'-P energy: -25.655
bonds (distance) P-C4' energy: -22.574
flat angles C4'-P-C4' energy: -24.678
flat angles P-C4'-P energy: -10.029
tors. eta vs tors. theta energy: -27.266
Dist. restrs. and SS energy: 0.324 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -339.932622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.932622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.014166 (E_RNA)
where:
Base-Base interactions energy: -236.051
where: short stacking energy: -87.083
Base-Backbone interact. energy: -1.394
local terms energy: -102.568605
where:
bonds (distance) C4'-P energy: -25.155
bonds (distance) P-C4' energy: -21.513
flat angles C4'-P-C4' energy: -21.155
flat angles P-C4'-P energy: -7.390
tors. eta vs tors. theta energy: -27.356
Dist. restrs. and SS energy: 0.082 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -326.403608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.403608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.500670 (E_RNA)
where:
Base-Base interactions energy: -225.182
where: short stacking energy: -84.494
Base-Backbone interact. energy: -0.575
local terms energy: -100.744228
where:
bonds (distance) C4'-P energy: -26.328
bonds (distance) P-C4' energy: -18.491
flat angles C4'-P-C4' energy: -17.954
flat angles P-C4'-P energy: -13.417
tors. eta vs tors. theta energy: -24.554
Dist. restrs. and SS energy: 0.097 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -324.924747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.924747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.262243 (E_RNA)
where:
Base-Base interactions energy: -218.622
where: short stacking energy: -87.618
Base-Backbone interact. energy: 0.892
local terms energy: -107.531392
where:
bonds (distance) C4'-P energy: -24.825
bonds (distance) P-C4' energy: -23.591
flat angles C4'-P-C4' energy: -22.456
flat angles P-C4'-P energy: -14.308
tors. eta vs tors. theta energy: -22.352
Dist. restrs. and SS energy: 0.337 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -432.261241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.261241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.411652 (E_RNA)
where:
Base-Base interactions energy: -303.072
where: short stacking energy: -113.316
Base-Backbone interact. energy: 0.708
local terms energy: -130.048357
where:
bonds (distance) C4'-P energy: -26.007
bonds (distance) P-C4' energy: -23.726
flat angles C4'-P-C4' energy: -26.676
flat angles P-C4'-P energy: -22.207
tors. eta vs tors. theta energy: -31.433
Dist. restrs. and SS energy: 0.150 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -415.593256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.593256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.652466 (E_RNA)
where:
Base-Base interactions energy: -286.143
where: short stacking energy: -109.550
Base-Backbone interact. energy: -2.699
local terms energy: -126.810879
where:
bonds (distance) C4'-P energy: -26.539
bonds (distance) P-C4' energy: -27.524
flat angles C4'-P-C4' energy: -28.602
flat angles P-C4'-P energy: -15.074
tors. eta vs tors. theta energy: -29.072
Dist. restrs. and SS energy: 0.059 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -395.356559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.356559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.940393 (E_RNA)
where:
Base-Base interactions energy: -260.516
where: short stacking energy: -103.215
Base-Backbone interact. energy: -0.572
local terms energy: -134.852486
where:
bonds (distance) C4'-P energy: -26.734
bonds (distance) P-C4' energy: -32.169
flat angles C4'-P-C4' energy: -24.677
flat angles P-C4'-P energy: -17.672
tors. eta vs tors. theta energy: -33.600
Dist. restrs. and SS energy: 0.584 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -374.005239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.005239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.948654 (E_RNA)
where:
Base-Base interactions energy: -250.622
where: short stacking energy: -120.045
Base-Backbone interact. energy: -0.118
local terms energy: -124.208941
where:
bonds (distance) C4'-P energy: -26.299
bonds (distance) P-C4' energy: -27.388
flat angles C4'-P-C4' energy: -26.335
flat angles P-C4'-P energy: -11.356
tors. eta vs tors. theta energy: -32.830
Dist. restrs. and SS energy: 0.943 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -374.855362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.855362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.126028 (E_RNA)
where:
Base-Base interactions energy: -252.636
where: short stacking energy: -90.685
Base-Backbone interact. energy: -0.886
local terms energy: -121.604131
where:
bonds (distance) C4'-P energy: -22.617
bonds (distance) P-C4' energy: -31.384
flat angles C4'-P-C4' energy: -27.349
flat angles P-C4'-P energy: -12.190
tors. eta vs tors. theta energy: -28.064
Dist. restrs. and SS energy: 0.271 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -348.724399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.724399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.964055 (E_RNA)
where:
Base-Base interactions energy: -232.993
where: short stacking energy: -93.549
Base-Backbone interact. energy: -0.119
local terms energy: -115.852829
where:
bonds (distance) C4'-P energy: -23.230
bonds (distance) P-C4' energy: -17.361
flat angles C4'-P-C4' energy: -28.226
flat angles P-C4'-P energy: -20.247
tors. eta vs tors. theta energy: -26.788
Dist. restrs. and SS energy: 0.240 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -369.911691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.911691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.166821 (E_RNA)
where:
Base-Base interactions energy: -252.435
where: short stacking energy: -108.669
Base-Backbone interact. energy: -0.522
local terms energy: -117.209573
where:
bonds (distance) C4'-P energy: -21.746
bonds (distance) P-C4' energy: -22.381
flat angles C4'-P-C4' energy: -25.703
flat angles P-C4'-P energy: -15.389
tors. eta vs tors. theta energy: -31.990
Dist. restrs. and SS energy: 0.255 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -333.471365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.471365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.484085 (E_RNA)
where:
Base-Base interactions energy: -217.558
where: short stacking energy: -86.233
Base-Backbone interact. energy: 0.551
local terms energy: -117.477484
where:
bonds (distance) C4'-P energy: -21.472
bonds (distance) P-C4' energy: -31.664
flat angles C4'-P-C4' energy: -26.374
flat angles P-C4'-P energy: -10.034
tors. eta vs tors. theta energy: -27.934
Dist. restrs. and SS energy: 1.013 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -344.353791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.353791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.702490 (E_RNA)
where:
Base-Base interactions energy: -236.463
where: short stacking energy: -85.986
Base-Backbone interact. energy: -0.302
local terms energy: -107.937402
where:
bonds (distance) C4'-P energy: -25.689
bonds (distance) P-C4' energy: -16.734
flat angles C4'-P-C4' energy: -24.506
flat angles P-C4'-P energy: -21.646
tors. eta vs tors. theta energy: -19.363
Dist. restrs. and SS energy: 0.349 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -316.426039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.426039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.689634 (E_RNA)
where:
Base-Base interactions energy: -210.132
where: short stacking energy: -73.962
Base-Backbone interact. energy: 0.569
local terms energy: -107.126692
where:
bonds (distance) C4'-P energy: -22.822
bonds (distance) P-C4' energy: -19.358
flat angles C4'-P-C4' energy: -31.035
flat angles P-C4'-P energy: -16.935
tors. eta vs tors. theta energy: -16.976
Dist. restrs. and SS energy: 0.264 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -436.533919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.533919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.693430 (E_RNA)
where:
Base-Base interactions energy: -310.088
where: short stacking energy: -108.725
Base-Backbone interact. energy: 1.601
local terms energy: -128.206429
where:
bonds (distance) C4'-P energy: -28.282
bonds (distance) P-C4' energy: -28.852
flat angles C4'-P-C4' energy: -25.064
flat angles P-C4'-P energy: -13.036
tors. eta vs tors. theta energy: -32.973
Dist. restrs. and SS energy: 0.160 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -410.172909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.172909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.251265 (E_RNA)
where:
Base-Base interactions energy: -278.836
where: short stacking energy: -102.913
Base-Backbone interact. energy: -0.368
local terms energy: -131.047784
where:
bonds (distance) C4'-P energy: -28.450
bonds (distance) P-C4' energy: -27.544
flat angles C4'-P-C4' energy: -28.806
flat angles P-C4'-P energy: -17.289
tors. eta vs tors. theta energy: -28.960
Dist. restrs. and SS energy: 0.078 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -391.935560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.935560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.041477 (E_RNA)
where:
Base-Base interactions energy: -277.277
where: short stacking energy: -105.067
Base-Backbone interact. energy: -0.158
local terms energy: -114.606233
where:
bonds (distance) C4'-P energy: -25.774
bonds (distance) P-C4' energy: -25.060
flat angles C4'-P-C4' energy: -19.024
flat angles P-C4'-P energy: -17.767
tors. eta vs tors. theta energy: -26.981
Dist. restrs. and SS energy: 0.106 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -375.745801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.745801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.861937 (E_RNA)
where:
Base-Base interactions energy: -257.688
where: short stacking energy: -111.832
Base-Backbone interact. energy: -0.455
local terms energy: -117.719272
where:
bonds (distance) C4'-P energy: -19.581
bonds (distance) P-C4' energy: -28.324
flat angles C4'-P-C4' energy: -29.593
flat angles P-C4'-P energy: -14.225
tors. eta vs tors. theta energy: -25.996
Dist. restrs. and SS energy: 0.116 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -386.098799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.098799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.563513 (E_RNA)
where:
Base-Base interactions energy: -272.106
where: short stacking energy: -102.575
Base-Backbone interact. energy: -0.281
local terms energy: -114.175907
where:
bonds (distance) C4'-P energy: -25.921
bonds (distance) P-C4' energy: -24.019
flat angles C4'-P-C4' energy: -24.615
flat angles P-C4'-P energy: -12.764
tors. eta vs tors. theta energy: -26.856
Dist. restrs. and SS energy: 0.465 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -381.232494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.232494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.889995 (E_RNA)
where:
Base-Base interactions energy: -251.225
where: short stacking energy: -100.148
Base-Backbone interact. energy: -1.196
local terms energy: -129.468915
where:
bonds (distance) C4'-P energy: -26.497
bonds (distance) P-C4' energy: -26.786
flat angles C4'-P-C4' energy: -25.393
flat angles P-C4'-P energy: -20.035
tors. eta vs tors. theta energy: -30.758
Dist. restrs. and SS energy: 0.658 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -326.890496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.890496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.059712 (E_RNA)
where:
Base-Base interactions energy: -218.112
where: short stacking energy: -85.870
Base-Backbone interact. energy: -0.359
local terms energy: -108.588039
where:
bonds (distance) C4'-P energy: -28.050
bonds (distance) P-C4' energy: -17.208
flat angles C4'-P-C4' energy: -21.680
flat angles P-C4'-P energy: -21.648
tors. eta vs tors. theta energy: -20.001
Dist. restrs. and SS energy: 0.169 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -329.476986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.476986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.213323 (E_RNA)
where:
Base-Base interactions energy: -218.411
where: short stacking energy: -82.333
Base-Backbone interact. energy: -0.405
local terms energy: -111.397438
where:
bonds (distance) C4'-P energy: -27.294
bonds (distance) P-C4' energy: -32.149
flat angles C4'-P-C4' energy: -23.635
flat angles P-C4'-P energy: -8.867
tors. eta vs tors. theta energy: -19.452
Dist. restrs. and SS energy: 0.736 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -338.204665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.204665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.489007 (E_RNA)
where:
Base-Base interactions energy: -221.927
where: short stacking energy: -80.936
Base-Backbone interact. energy: -0.154
local terms energy: -116.408919
where:
bonds (distance) C4'-P energy: -23.357
bonds (distance) P-C4' energy: -26.730
flat angles C4'-P-C4' energy: -27.521
flat angles P-C4'-P energy: -17.704
tors. eta vs tors. theta energy: -21.096
Dist. restrs. and SS energy: 0.284 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -324.255449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.255449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.801558 (E_RNA)
where:
Base-Base interactions energy: -219.995
where: short stacking energy: -80.865
Base-Backbone interact. energy: -0.516
local terms energy: -104.290780
where:
bonds (distance) C4'-P energy: -27.820
bonds (distance) P-C4' energy: -28.260
flat angles C4'-P-C4' energy: -19.415
flat angles P-C4'-P energy: -7.068
tors. eta vs tors. theta energy: -21.728
Dist. restrs. and SS energy: 0.546 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -434.321961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.321961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.598720 (E_RNA)
where:
Base-Base interactions energy: -306.222
where: short stacking energy: -116.007
Base-Backbone interact. energy: 0.000
local terms energy: -128.376517
where:
bonds (distance) C4'-P energy: -26.879
bonds (distance) P-C4' energy: -29.038
flat angles C4'-P-C4' energy: -25.398
flat angles P-C4'-P energy: -18.770
tors. eta vs tors. theta energy: -28.292
Dist. restrs. and SS energy: 0.277 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -430.574475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.574475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.907524 (E_RNA)
where:
Base-Base interactions energy: -293.170
where: short stacking energy: -115.911
Base-Backbone interact. energy: -0.727
local terms energy: -137.011369
where:
bonds (distance) C4'-P energy: -28.784
bonds (distance) P-C4' energy: -31.430
flat angles C4'-P-C4' energy: -28.299
flat angles P-C4'-P energy: -15.648
tors. eta vs tors. theta energy: -32.849
Dist. restrs. and SS energy: 0.333 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -385.787239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.787239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.111955 (E_RNA)
where:
Base-Base interactions energy: -263.800
where: short stacking energy: -107.339
Base-Backbone interact. energy: -0.219
local terms energy: -122.092530
where:
bonds (distance) C4'-P energy: -20.150
bonds (distance) P-C4' energy: -25.494
flat angles C4'-P-C4' energy: -30.734
flat angles P-C4'-P energy: -12.436
tors. eta vs tors. theta energy: -33.279
Dist. restrs. and SS energy: 0.325 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -392.306055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.306055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.418357 (E_RNA)
where:
Base-Base interactions energy: -269.556
where: short stacking energy: -106.098
Base-Backbone interact. energy: -0.696
local terms energy: -122.166315
where:
bonds (distance) C4'-P energy: -25.687
bonds (distance) P-C4' energy: -22.940
flat angles C4'-P-C4' energy: -20.844
flat angles P-C4'-P energy: -20.066
tors. eta vs tors. theta energy: -32.629
Dist. restrs. and SS energy: 0.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -392.183140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.183140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.358832 (E_RNA)
where:
Base-Base interactions energy: -261.980
where: short stacking energy: -100.185
Base-Backbone interact. energy: 0.074
local terms energy: -130.452441
where:
bonds (distance) C4'-P energy: -24.887
bonds (distance) P-C4' energy: -30.865
flat angles C4'-P-C4' energy: -28.705
flat angles P-C4'-P energy: -16.059
tors. eta vs tors. theta energy: -29.936
Dist. restrs. and SS energy: 0.176 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -376.317942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.317942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.499210 (E_RNA)
where:
Base-Base interactions energy: -256.415
where: short stacking energy: -102.183
Base-Backbone interact. energy: -0.247
local terms energy: -119.837495
where:
bonds (distance) C4'-P energy: -21.949
bonds (distance) P-C4' energy: -28.224
flat angles C4'-P-C4' energy: -26.361
flat angles P-C4'-P energy: -15.374
tors. eta vs tors. theta energy: -27.928
Dist. restrs. and SS energy: 0.181 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -333.768378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.768378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.031126 (E_RNA)
where:
Base-Base interactions energy: -218.260
where: short stacking energy: -79.709
Base-Backbone interact. energy: -0.522
local terms energy: -115.249044
where:
bonds (distance) C4'-P energy: -27.231
bonds (distance) P-C4' energy: -22.858
flat angles C4'-P-C4' energy: -24.299
flat angles P-C4'-P energy: -17.896
tors. eta vs tors. theta energy: -22.965
Dist. restrs. and SS energy: 0.263 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -320.488356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.488356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.718484 (E_RNA)
where:
Base-Base interactions energy: -218.602
where: short stacking energy: -81.958
Base-Backbone interact. energy: -2.358
local terms energy: -99.758982
where:
bonds (distance) C4'-P energy: -21.958
bonds (distance) P-C4' energy: -22.031
flat angles C4'-P-C4' energy: -23.730
flat angles P-C4'-P energy: -14.219
tors. eta vs tors. theta energy: -17.821
Dist. restrs. and SS energy: 0.230 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -325.737576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.737576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.215617 (E_RNA)
where:
Base-Base interactions energy: -221.896
where: short stacking energy: -86.115
Base-Backbone interact. energy: -0.190
local terms energy: -104.129624
where:
bonds (distance) C4'-P energy: -22.164
bonds (distance) P-C4' energy: -20.942
flat angles C4'-P-C4' energy: -27.045
flat angles P-C4'-P energy: -12.653
tors. eta vs tors. theta energy: -21.326
Dist. restrs. and SS energy: 0.478 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -317.446457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.446457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.848399 (E_RNA)
where:
Base-Base interactions energy: -218.625
where: short stacking energy: -86.257
Base-Backbone interact. energy: -0.222
local terms energy: -99.001713
where:
bonds (distance) C4'-P energy: -21.309
bonds (distance) P-C4' energy: -23.090
flat angles C4'-P-C4' energy: -20.236
flat angles P-C4'-P energy: -12.959
tors. eta vs tors. theta energy: -21.407
Dist. restrs. and SS energy: 0.402 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -439.026302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.026302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.027868 (E_RNA)
where:
Base-Base interactions energy: -296.815
where: short stacking energy: -124.167
Base-Backbone interact. energy: -0.749
local terms energy: -142.464182
where:
bonds (distance) C4'-P energy: -28.508
bonds (distance) P-C4' energy: -30.877
flat angles C4'-P-C4' energy: -30.125
flat angles P-C4'-P energy: -22.173
tors. eta vs tors. theta energy: -30.781
Dist. restrs. and SS energy: 1.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -417.706031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.706031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.629499 (E_RNA)
where:
Base-Base interactions energy: -288.422
where: short stacking energy: -102.734
Base-Backbone interact. energy: -0.833
local terms energy: -129.374765
where:
bonds (distance) C4'-P energy: -26.237
bonds (distance) P-C4' energy: -27.933
flat angles C4'-P-C4' energy: -28.433
flat angles P-C4'-P energy: -17.374
tors. eta vs tors. theta energy: -29.397
Dist. restrs. and SS energy: 0.923 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -376.553036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.553036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.734232 (E_RNA)
where:
Base-Base interactions energy: -247.759
where: short stacking energy: -96.810
Base-Backbone interact. energy: -0.518
local terms energy: -128.456546
where:
bonds (distance) C4'-P energy: -26.930
bonds (distance) P-C4' energy: -29.075
flat angles C4'-P-C4' energy: -32.136
flat angles P-C4'-P energy: -10.037
tors. eta vs tors. theta energy: -30.279
Dist. restrs. and SS energy: 0.181 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -394.649528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.649528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.967038 (E_RNA)
where:
Base-Base interactions energy: -273.947
where: short stacking energy: -98.540
Base-Backbone interact. energy: -0.224
local terms energy: -120.795213
where:
bonds (distance) C4'-P energy: -24.851
bonds (distance) P-C4' energy: -27.899
flat angles C4'-P-C4' energy: -28.955
flat angles P-C4'-P energy: -11.012
tors. eta vs tors. theta energy: -28.078
Dist. restrs. and SS energy: 0.318 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -382.869206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.869206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.882252 (E_RNA)
where:
Base-Base interactions energy: -262.723
where: short stacking energy: -101.839
Base-Backbone interact. energy: -0.720
local terms energy: -119.438559
where:
bonds (distance) C4'-P energy: -21.645
bonds (distance) P-C4' energy: -30.967
flat angles C4'-P-C4' energy: -24.359
flat angles P-C4'-P energy: -13.155
tors. eta vs tors. theta energy: -29.313
Dist. restrs. and SS energy: 0.013 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -359.009734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.009734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.190064 (E_RNA)
where:
Base-Base interactions energy: -243.278
where: short stacking energy: -97.828
Base-Backbone interact. energy: -0.831
local terms energy: -115.081237
where:
bonds (distance) C4'-P energy: -23.231
bonds (distance) P-C4' energy: -28.384
flat angles C4'-P-C4' energy: -26.382
flat angles P-C4'-P energy: -9.524
tors. eta vs tors. theta energy: -27.559
Dist. restrs. and SS energy: 0.180 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -359.864908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.864908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.336699 (E_RNA)
where:
Base-Base interactions energy: -252.384
where: short stacking energy: -100.061
Base-Backbone interact. energy: -2.174
local terms energy: -105.778508
where:
bonds (distance) C4'-P energy: -22.348
bonds (distance) P-C4' energy: -19.496
flat angles C4'-P-C4' energy: -30.662
flat angles P-C4'-P energy: -8.796
tors. eta vs tors. theta energy: -24.477
Dist. restrs. and SS energy: 0.472 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -327.326672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.326672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.004856 (E_RNA)
where:
Base-Base interactions energy: -218.469
where: short stacking energy: -77.485
Base-Backbone interact. energy: 0.025
local terms energy: -109.560303
where:
bonds (distance) C4'-P energy: -20.772
bonds (distance) P-C4' energy: -25.482
flat angles C4'-P-C4' energy: -22.337
flat angles P-C4'-P energy: -21.518
tors. eta vs tors. theta energy: -19.452
Dist. restrs. and SS energy: 0.678 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -333.758858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.758858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.856161 (E_RNA)
where:
Base-Base interactions energy: -218.626
where: short stacking energy: -86.598
Base-Backbone interact. energy: 1.138
local terms energy: -116.368002
where:
bonds (distance) C4'-P energy: -20.983
bonds (distance) P-C4' energy: -29.086
flat angles C4'-P-C4' energy: -24.694
flat angles P-C4'-P energy: -17.548
tors. eta vs tors. theta energy: -24.057
Dist. restrs. and SS energy: 0.097 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -338.608429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.608429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.042434 (E_RNA)
where:
Base-Base interactions energy: -232.853
where: short stacking energy: -87.985
Base-Backbone interact. energy: -1.034
local terms energy: -105.155721
where:
bonds (distance) C4'-P energy: -24.502
bonds (distance) P-C4' energy: -22.118
flat angles C4'-P-C4' energy: -22.676
flat angles P-C4'-P energy: -14.410
tors. eta vs tors. theta energy: -21.450
Dist. restrs. and SS energy: 0.434 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -438.486578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.486578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.619184 (E_RNA)
where:
Base-Base interactions energy: -308.855
where: short stacking energy: -114.028
Base-Backbone interact. energy: -0.522
local terms energy: -129.242249
where:
bonds (distance) C4'-P energy: -29.412
bonds (distance) P-C4' energy: -26.504
flat angles C4'-P-C4' energy: -21.662
flat angles P-C4'-P energy: -19.306
tors. eta vs tors. theta energy: -32.358
Dist. restrs. and SS energy: 0.133 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -417.218821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.218821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.531984 (E_RNA)
where:
Base-Base interactions energy: -283.275
where: short stacking energy: -121.485
Base-Backbone interact. energy: -3.512
local terms energy: -130.744463
where:
bonds (distance) C4'-P energy: -28.257
bonds (distance) P-C4' energy: -27.338
flat angles C4'-P-C4' energy: -23.752
flat angles P-C4'-P energy: -15.568
tors. eta vs tors. theta energy: -35.829
Dist. restrs. and SS energy: 0.313 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -409.297474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.297474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.451846 (E_RNA)
where:
Base-Base interactions energy: -277.888
where: short stacking energy: -115.602
Base-Backbone interact. energy: -0.352
local terms energy: -132.212281
where:
bonds (distance) C4'-P energy: -27.603
bonds (distance) P-C4' energy: -23.435
flat angles C4'-P-C4' energy: -31.931
flat angles P-C4'-P energy: -19.065
tors. eta vs tors. theta energy: -30.178
Dist. restrs. and SS energy: 1.154 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -361.063399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.063399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.420032 (E_RNA)
where:
Base-Base interactions energy: -244.836
where: short stacking energy: -105.347
Base-Backbone interact. energy: 1.104
local terms energy: -117.687920
where:
bonds (distance) C4'-P energy: -25.046
bonds (distance) P-C4' energy: -27.053
flat angles C4'-P-C4' energy: -28.905
flat angles P-C4'-P energy: -11.505
tors. eta vs tors. theta energy: -25.179
Dist. restrs. and SS energy: 0.357 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -358.493903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.493903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.591890 (E_RNA)
where:
Base-Base interactions energy: -247.959
where: short stacking energy: -92.350
Base-Backbone interact. energy: 2.443
local terms energy: -113.075277
where:
bonds (distance) C4'-P energy: -23.451
bonds (distance) P-C4' energy: -28.192
flat angles C4'-P-C4' energy: -27.225
flat angles P-C4'-P energy: -9.109
tors. eta vs tors. theta energy: -25.098
Dist. restrs. and SS energy: 0.098 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -371.648097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.648097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.703250 (E_RNA)
where:
Base-Base interactions energy: -250.855
where: short stacking energy: -105.053
Base-Backbone interact. energy: -0.532
local terms energy: -120.315716
where:
bonds (distance) C4'-P energy: -27.111
bonds (distance) P-C4' energy: -22.530
flat angles C4'-P-C4' energy: -24.973
flat angles P-C4'-P energy: -17.198
tors. eta vs tors. theta energy: -28.505
Dist. restrs. and SS energy: 0.055 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -371.612546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.612546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.321361 (E_RNA)
where:
Base-Base interactions energy: -252.381
where: short stacking energy: -88.672
Base-Backbone interact. energy: -2.246
local terms energy: -117.694853
where:
bonds (distance) C4'-P energy: -24.773
bonds (distance) P-C4' energy: -28.196
flat angles C4'-P-C4' energy: -26.745
flat angles P-C4'-P energy: -15.069
tors. eta vs tors. theta energy: -22.911
Dist. restrs. and SS energy: 0.709 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -330.728705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.728705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.338548 (E_RNA)
where:
Base-Base interactions energy: -211.899
where: short stacking energy: -87.753
Base-Backbone interact. energy: 0.602
local terms energy: -120.040999
where:
bonds (distance) C4'-P energy: -23.241
bonds (distance) P-C4' energy: -28.445
flat angles C4'-P-C4' energy: -28.647
flat angles P-C4'-P energy: -15.744
tors. eta vs tors. theta energy: -23.964
Dist. restrs. and SS energy: 0.610 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -324.689836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.689836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.149712 (E_RNA)
where:
Base-Base interactions energy: -203.059
where: short stacking energy: -80.825
Base-Backbone interact. energy: -0.794
local terms energy: -121.296042
where:
bonds (distance) C4'-P energy: -26.385
bonds (distance) P-C4' energy: -23.325
flat angles C4'-P-C4' energy: -29.610
flat angles P-C4'-P energy: -16.829
tors. eta vs tors. theta energy: -25.146
Dist. restrs. and SS energy: 0.460 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -315.653893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.653893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.887033 (E_RNA)
where:
Base-Base interactions energy: -215.600
where: short stacking energy: -77.674
Base-Backbone interact. energy: -0.851
local terms energy: -99.436245
where:
bonds (distance) C4'-P energy: -27.361
bonds (distance) P-C4' energy: -15.817
flat angles C4'-P-C4' energy: -23.605
flat angles P-C4'-P energy: -14.832
tors. eta vs tors. theta energy: -17.820
Dist. restrs. and SS energy: 0.233 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -438.556421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.556421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.933152 (E_RNA)
where:
Base-Base interactions energy: -307.572
where: short stacking energy: -109.200
Base-Backbone interact. energy: -0.941
local terms energy: -130.419540
where:
bonds (distance) C4'-P energy: -26.519
bonds (distance) P-C4' energy: -26.221
flat angles C4'-P-C4' energy: -28.754
flat angles P-C4'-P energy: -15.657
tors. eta vs tors. theta energy: -33.269
Dist. restrs. and SS energy: 0.377 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -410.958892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.958892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.183634 (E_RNA)
where:
Base-Base interactions energy: -273.081
where: short stacking energy: -111.909
Base-Backbone interact. energy: 0.034
local terms energy: -138.136141
where:
bonds (distance) C4'-P energy: -30.960
bonds (distance) P-C4' energy: -24.169
flat angles C4'-P-C4' energy: -31.204
flat angles P-C4'-P energy: -18.946
tors. eta vs tors. theta energy: -32.857
Dist. restrs. and SS energy: 0.225 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -411.692661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.692661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.943320 (E_RNA)
where:
Base-Base interactions energy: -280.096
where: short stacking energy: -113.437
Base-Backbone interact. energy: -0.453
local terms energy: -131.394133
where:
bonds (distance) C4'-P energy: -23.252
bonds (distance) P-C4' energy: -28.258
flat angles C4'-P-C4' energy: -29.546
flat angles P-C4'-P energy: -16.952
tors. eta vs tors. theta energy: -33.387
Dist. restrs. and SS energy: 0.251 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -371.381916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.381916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.776487 (E_RNA)
where:
Base-Base interactions energy: -247.783
where: short stacking energy: -101.865
Base-Backbone interact. energy: -0.280
local terms energy: -123.713527
where:
bonds (distance) C4'-P energy: -25.672
bonds (distance) P-C4' energy: -24.383
flat angles C4'-P-C4' energy: -30.448
flat angles P-C4'-P energy: -17.519
tors. eta vs tors. theta energy: -25.691
Dist. restrs. and SS energy: 0.395 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -369.875094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.875094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.150469 (E_RNA)
where:
Base-Base interactions energy: -252.044
where: short stacking energy: -107.917
Base-Backbone interact. energy: -2.794
local terms energy: -115.313082
where:
bonds (distance) C4'-P energy: -27.419
bonds (distance) P-C4' energy: -25.775
flat angles C4'-P-C4' energy: -24.029
flat angles P-C4'-P energy: -10.321
tors. eta vs tors. theta energy: -27.770
Dist. restrs. and SS energy: 0.275 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -376.475856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.475856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.565340 (E_RNA)
where:
Base-Base interactions energy: -264.632
where: short stacking energy: -97.140
Base-Backbone interact. energy: 2.153
local terms energy: -114.086709
where:
bonds (distance) C4'-P energy: -24.962
bonds (distance) P-C4' energy: -24.675
flat angles C4'-P-C4' energy: -22.405
flat angles P-C4'-P energy: -14.388
tors. eta vs tors. theta energy: -27.656
Dist. restrs. and SS energy: 0.089 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -347.372197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.372197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.672460 (E_RNA)
where:
Base-Base interactions energy: -239.107
where: short stacking energy: -95.491
Base-Backbone interact. energy: -1.879
local terms energy: -106.686261
where:
bonds (distance) C4'-P energy: -25.716
bonds (distance) P-C4' energy: -20.548
flat angles C4'-P-C4' energy: -22.741
flat angles P-C4'-P energy: -13.306
tors. eta vs tors. theta energy: -24.375
Dist. restrs. and SS energy: 0.300 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -333.632677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.632677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.854608 (E_RNA)
where:
Base-Base interactions energy: -220.297
where: short stacking energy: -79.614
Base-Backbone interact. energy: -0.378
local terms energy: -113.179884
where:
bonds (distance) C4'-P energy: -21.678
bonds (distance) P-C4' energy: -27.453
flat angles C4'-P-C4' energy: -24.078
flat angles P-C4'-P energy: -15.555
tors. eta vs tors. theta energy: -24.416
Dist. restrs. and SS energy: 0.222 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -316.310363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.310363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.804593 (E_RNA)
where:
Base-Base interactions energy: -211.694
where: short stacking energy: -79.239
Base-Backbone interact. energy: -0.468
local terms energy: -104.642618
where:
bonds (distance) C4'-P energy: -28.013
bonds (distance) P-C4' energy: -26.948
flat angles C4'-P-C4' energy: -21.832
flat angles P-C4'-P energy: -11.922
tors. eta vs tors. theta energy: -15.928
Dist. restrs. and SS energy: 0.494 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -321.067255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.067255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.554129 (E_RNA)
where:
Base-Base interactions energy: -223.139
where: short stacking energy: -87.793
Base-Backbone interact. energy: -0.560
local terms energy: -97.855574
where:
bonds (distance) C4'-P energy: -20.325
bonds (distance) P-C4' energy: -17.958
flat angles C4'-P-C4' energy: -24.755
flat angles P-C4'-P energy: -8.174
tors. eta vs tors. theta energy: -26.643
Dist. restrs. and SS energy: 0.487 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -427.457808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.457808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.622872 (E_RNA)
where:
Base-Base interactions energy: -287.178
where: short stacking energy: -123.565
Base-Backbone interact. energy: -0.420
local terms energy: -140.025582
where:
bonds (distance) C4'-P energy: -27.174
bonds (distance) P-C4' energy: -28.164
flat angles C4'-P-C4' energy: -28.858
flat angles P-C4'-P energy: -21.289
tors. eta vs tors. theta energy: -34.541
Dist. restrs. and SS energy: 0.165 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -420.788028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.788028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.877201 (E_RNA)
where:
Base-Base interactions energy: -295.732
where: short stacking energy: -110.134
Base-Backbone interact. energy: -0.492
local terms energy: -124.653417
where:
bonds (distance) C4'-P energy: -19.809
bonds (distance) P-C4' energy: -26.556
flat angles C4'-P-C4' energy: -31.356
flat angles P-C4'-P energy: -16.143
tors. eta vs tors. theta energy: -30.790
Dist. restrs. and SS energy: 0.089 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -377.024734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.024734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.618966 (E_RNA)
where:
Base-Base interactions energy: -249.349
where: short stacking energy: -101.178
Base-Backbone interact. energy: -0.223
local terms energy: -128.047046
where:
bonds (distance) C4'-P energy: -26.771
bonds (distance) P-C4' energy: -29.959
flat angles C4'-P-C4' energy: -28.665
flat angles P-C4'-P energy: -13.590
tors. eta vs tors. theta energy: -29.061
Dist. restrs. and SS energy: 0.594 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -398.014638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.014638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.164547 (E_RNA)
where:
Base-Base interactions energy: -266.150
where: short stacking energy: -123.438
Base-Backbone interact. energy: -0.144
local terms energy: -131.870593
where:
bonds (distance) C4'-P energy: -25.058
bonds (distance) P-C4' energy: -27.315
flat angles C4'-P-C4' energy: -26.756
flat angles P-C4'-P energy: -18.340
tors. eta vs tors. theta energy: -34.402
Dist. restrs. and SS energy: 0.150 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -358.657227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.657227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.223917 (E_RNA)
where:
Base-Base interactions energy: -232.492
where: short stacking energy: -92.282
Base-Backbone interact. energy: -1.116
local terms energy: -125.615831
where:
bonds (distance) C4'-P energy: -27.940
bonds (distance) P-C4' energy: -28.521
flat angles C4'-P-C4' energy: -30.727
flat angles P-C4'-P energy: -15.618
tors. eta vs tors. theta energy: -22.809
Dist. restrs. and SS energy: 0.567 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -381.134914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.134914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.249728 (E_RNA)
where:
Base-Base interactions energy: -255.209
where: short stacking energy: -104.431
Base-Backbone interact. energy: -0.538
local terms energy: -125.502435
where:
bonds (distance) C4'-P energy: -23.546
bonds (distance) P-C4' energy: -25.898
flat angles C4'-P-C4' energy: -29.607
flat angles P-C4'-P energy: -15.069
tors. eta vs tors. theta energy: -31.382
Dist. restrs. and SS energy: 0.115 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -361.042871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.042871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.407860 (E_RNA)
where:
Base-Base interactions energy: -247.880
where: short stacking energy: -110.309
Base-Backbone interact. energy: 0.122
local terms energy: -113.650518
where:
bonds (distance) C4'-P energy: -16.907
bonds (distance) P-C4' energy: -24.606
flat angles C4'-P-C4' energy: -22.879
flat angles P-C4'-P energy: -17.531
tors. eta vs tors. theta energy: -31.729
Dist. restrs. and SS energy: 0.365 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -341.986556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.986556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.009554 (E_RNA)
where:
Base-Base interactions energy: -243.193
where: short stacking energy: -91.146
Base-Backbone interact. energy: 0.004
local terms energy: -99.820122
where:
bonds (distance) C4'-P energy: -17.674
bonds (distance) P-C4' energy: -24.849
flat angles C4'-P-C4' energy: -22.358
flat angles P-C4'-P energy: -13.846
tors. eta vs tors. theta energy: -21.092
Dist. restrs. and SS energy: 1.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -325.407188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.407188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.966237 (E_RNA)
where:
Base-Base interactions energy: -215.651
where: short stacking energy: -90.979
Base-Backbone interact. energy: -0.380
local terms energy: -109.935267
where:
bonds (distance) C4'-P energy: -20.908
bonds (distance) P-C4' energy: -29.263
flat angles C4'-P-C4' energy: -22.858
flat angles P-C4'-P energy: -15.585
tors. eta vs tors. theta energy: -21.321
Dist. restrs. and SS energy: 0.559 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -322.143499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.143499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.516343 (E_RNA)
where:
Base-Base interactions energy: -217.366
where: short stacking energy: -92.982
Base-Backbone interact. energy: -1.218
local terms energy: -103.932277
where:
bonds (distance) C4'-P energy: -19.831
bonds (distance) P-C4' energy: -21.595
flat angles C4'-P-C4' energy: -22.747
flat angles P-C4'-P energy: -9.418
tors. eta vs tors. theta energy: -30.342
Dist. restrs. and SS energy: 0.373 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -415.627471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.627471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.734681 (E_RNA)
where:
Base-Base interactions energy: -283.061
where: short stacking energy: -112.062
Base-Backbone interact. energy: -0.224
local terms energy: -132.449427
where:
bonds (distance) C4'-P energy: -23.247
bonds (distance) P-C4' energy: -32.581
flat angles C4'-P-C4' energy: -25.252
flat angles P-C4'-P energy: -20.641
tors. eta vs tors. theta energy: -30.728
Dist. restrs. and SS energy: 0.107 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -431.888588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.888588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.101192 (E_RNA)
where:
Base-Base interactions energy: -307.760
where: short stacking energy: -117.026
Base-Backbone interact. energy: -0.430
local terms energy: -123.910989
where:
bonds (distance) C4'-P energy: -20.500
bonds (distance) P-C4' energy: -27.336
flat angles C4'-P-C4' energy: -26.417
flat angles P-C4'-P energy: -17.336
tors. eta vs tors. theta energy: -32.321
Dist. restrs. and SS energy: 0.213 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -379.960668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.960668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.104239 (E_RNA)
where:
Base-Base interactions energy: -248.315
where: short stacking energy: -99.169
Base-Backbone interact. energy: -0.410
local terms energy: -131.378739
where:
bonds (distance) C4'-P energy: -26.808
bonds (distance) P-C4' energy: -24.678
flat angles C4'-P-C4' energy: -30.878
flat angles P-C4'-P energy: -17.011
tors. eta vs tors. theta energy: -32.004
Dist. restrs. and SS energy: 0.144 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -393.683547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.683547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.430674 (E_RNA)
where:
Base-Base interactions energy: -260.989
where: short stacking energy: -109.489
Base-Backbone interact. energy: -0.975
local terms energy: -132.466257
where:
bonds (distance) C4'-P energy: -27.384
bonds (distance) P-C4' energy: -32.251
flat angles C4'-P-C4' energy: -31.973
flat angles P-C4'-P energy: -10.776
tors. eta vs tors. theta energy: -30.084
Dist. restrs. and SS energy: 0.747 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -374.583393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.583393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.785645 (E_RNA)
where:
Base-Base interactions energy: -242.534
where: short stacking energy: -99.241
Base-Backbone interact. energy: -0.184
local terms energy: -132.067810
where:
bonds (distance) C4'-P energy: -30.629
bonds (distance) P-C4' energy: -25.289
flat angles C4'-P-C4' energy: -27.536
flat angles P-C4'-P energy: -17.964
tors. eta vs tors. theta energy: -30.650
Dist. restrs. and SS energy: 0.202 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -371.825524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.825524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.134239 (E_RNA)
where:
Base-Base interactions energy: -266.648
where: short stacking energy: -107.328
Base-Backbone interact. energy: -0.069
local terms energy: -105.417643
where:
bonds (distance) C4'-P energy: -14.363
bonds (distance) P-C4' energy: -22.380
flat angles C4'-P-C4' energy: -22.565
flat angles P-C4'-P energy: -15.684
tors. eta vs tors. theta energy: -30.425
Dist. restrs. and SS energy: 0.309 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -353.175508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.175508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.625536 (E_RNA)
where:
Base-Base interactions energy: -238.916
where: short stacking energy: -99.967
Base-Backbone interact. energy: -0.567
local terms energy: -114.142959
where:
bonds (distance) C4'-P energy: -25.180
bonds (distance) P-C4' energy: -24.074
flat angles C4'-P-C4' energy: -22.184
flat angles P-C4'-P energy: -16.442
tors. eta vs tors. theta energy: -26.263
Dist. restrs. and SS energy: 0.450 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -327.201356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.201356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.647627 (E_RNA)
where:
Base-Base interactions energy: -230.650
where: short stacking energy: -90.853
Base-Backbone interact. energy: -0.562
local terms energy: -96.434816
where:
bonds (distance) C4'-P energy: -22.594
bonds (distance) P-C4' energy: -19.411
flat angles C4'-P-C4' energy: -23.186
flat angles P-C4'-P energy: -5.450
tors. eta vs tors. theta energy: -25.794
Dist. restrs. and SS energy: 0.446 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -330.731170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.731170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.039470 (E_RNA)
where:
Base-Base interactions energy: -221.464
where: short stacking energy: -79.983
Base-Backbone interact. energy: 5.243
local terms energy: -114.818706
where:
bonds (distance) C4'-P energy: -25.736
bonds (distance) P-C4' energy: -21.317
flat angles C4'-P-C4' energy: -24.327
flat angles P-C4'-P energy: -20.356
tors. eta vs tors. theta energy: -23.083
Dist. restrs. and SS energy: 0.308 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -310.586245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.586245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.119758 (E_RNA)
where:
Base-Base interactions energy: -206.180
where: short stacking energy: -74.216
Base-Backbone interact. energy: -0.825
local terms energy: -104.114786
where:
bonds (distance) C4'-P energy: -24.838
bonds (distance) P-C4' energy: -19.667
flat angles C4'-P-C4' energy: -24.803
flat angles P-C4'-P energy: -15.743
tors. eta vs tors. theta energy: -19.063
Dist. restrs. and SS energy: 0.534 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -434.289472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.289472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.689983 (E_RNA)
where:
Base-Base interactions energy: -302.655
where: short stacking energy: -112.605
Base-Backbone interact. energy: -0.809
local terms energy: -131.225247
where:
bonds (distance) C4'-P energy: -25.029
bonds (distance) P-C4' energy: -24.188
flat angles C4'-P-C4' energy: -32.590
flat angles P-C4'-P energy: -18.716
tors. eta vs tors. theta energy: -30.702
Dist. restrs. and SS energy: 0.401 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -414.232034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.232034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.280492 (E_RNA)
where:
Base-Base interactions energy: -285.450
where: short stacking energy: -111.545
Base-Backbone interact. energy: -0.329
local terms energy: -128.500622
where:
bonds (distance) C4'-P energy: -28.659
bonds (distance) P-C4' energy: -29.931
flat angles C4'-P-C4' energy: -28.426
flat angles P-C4'-P energy: -9.005
tors. eta vs tors. theta energy: -32.480
Dist. restrs. and SS energy: 0.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -395.775954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.775954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.929492 (E_RNA)
where:
Base-Base interactions energy: -265.424
where: short stacking energy: -112.589
Base-Backbone interact. energy: -0.559
local terms energy: -129.946514
where:
bonds (distance) C4'-P energy: -23.441
bonds (distance) P-C4' energy: -26.798
flat angles C4'-P-C4' energy: -25.957
flat angles P-C4'-P energy: -16.210
tors. eta vs tors. theta energy: -37.540
Dist. restrs. and SS energy: 0.154 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -373.539447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.539447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.634439 (E_RNA)
where:
Base-Base interactions energy: -246.560
where: short stacking energy: -103.790
Base-Backbone interact. energy: -0.376
local terms energy: -126.697934
where:
bonds (distance) C4'-P energy: -25.533
bonds (distance) P-C4' energy: -28.827
flat angles C4'-P-C4' energy: -28.184
flat angles P-C4'-P energy: -17.560
tors. eta vs tors. theta energy: -26.595
Dist. restrs. and SS energy: 0.095 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -369.495290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.495290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.822351 (E_RNA)
where:
Base-Base interactions energy: -255.666
where: short stacking energy: -110.739
Base-Backbone interact. energy: -0.204
local terms energy: -113.952587
where:
bonds (distance) C4'-P energy: -26.133
bonds (distance) P-C4' energy: -20.005
flat angles C4'-P-C4' energy: -26.267
flat angles P-C4'-P energy: -9.290
tors. eta vs tors. theta energy: -32.257
Dist. restrs. and SS energy: 0.327 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -344.596706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.596706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.135040 (E_RNA)
where:
Base-Base interactions energy: -235.888
where: short stacking energy: -95.955
Base-Backbone interact. energy: -2.390
local terms energy: -106.856601
where:
bonds (distance) C4'-P energy: -21.654
bonds (distance) P-C4' energy: -22.442
flat angles C4'-P-C4' energy: -24.242
flat angles P-C4'-P energy: -16.098
tors. eta vs tors. theta energy: -22.421
Dist. restrs. and SS energy: 0.538 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -345.648288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.648288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.151090 (E_RNA)
where:
Base-Base interactions energy: -225.984
where: short stacking energy: -91.246
Base-Backbone interact. energy: -0.055
local terms energy: -120.111732
where:
bonds (distance) C4'-P energy: -28.719
bonds (distance) P-C4' energy: -27.877
flat angles C4'-P-C4' energy: -17.121
flat angles P-C4'-P energy: -22.149
tors. eta vs tors. theta energy: -24.246
Dist. restrs. and SS energy: 0.503 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -327.468294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.468294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.208309 (E_RNA)
where:
Base-Base interactions energy: -229.115
where: short stacking energy: -78.722
Base-Backbone interact. energy: -0.221
local terms energy: -98.871727
where:
bonds (distance) C4'-P energy: -26.307
bonds (distance) P-C4' energy: -22.488
flat angles C4'-P-C4' energy: -21.836
flat angles P-C4'-P energy: -12.262
tors. eta vs tors. theta energy: -15.979
Dist. restrs. and SS energy: 0.740 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -333.772932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.772932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.508135 (E_RNA)
where:
Base-Base interactions energy: -226.247
where: short stacking energy: -84.337
Base-Backbone interact. energy: -0.929
local terms energy: -107.332780
where:
bonds (distance) C4'-P energy: -19.906
bonds (distance) P-C4' energy: -20.769
flat angles C4'-P-C4' energy: -23.016
flat angles P-C4'-P energy: -17.507
tors. eta vs tors. theta energy: -26.134
Dist. restrs. and SS energy: 0.735 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -316.734868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.734868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.810345 (E_RNA)
where:
Base-Base interactions energy: -212.794
where: short stacking energy: -81.769
Base-Backbone interact. energy: -0.509
local terms energy: -103.506690
where:
bonds (distance) C4'-P energy: -21.547
bonds (distance) P-C4' energy: -25.325
flat angles C4'-P-C4' energy: -26.800
flat angles P-C4'-P energy: -9.707
tors. eta vs tors. theta energy: -20.129
Dist. restrs. and SS energy: 0.075 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -455.978982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.978982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.095202 (E_RNA)
where:
Base-Base interactions energy: -310.467
where: short stacking energy: -115.272
Base-Backbone interact. energy: -0.276
local terms energy: -145.352388
where:
bonds (distance) C4'-P energy: -26.941
bonds (distance) P-C4' energy: -33.074
flat angles C4'-P-C4' energy: -30.072
flat angles P-C4'-P energy: -17.635
tors. eta vs tors. theta energy: -37.631
Dist. restrs. and SS energy: 0.116 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -401.571501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.571501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.642602 (E_RNA)
where:
Base-Base interactions energy: -273.618
where: short stacking energy: -110.326
Base-Backbone interact. energy: -0.068
local terms energy: -127.956598
where:
bonds (distance) C4'-P energy: -27.470
bonds (distance) P-C4' energy: -27.352
flat angles C4'-P-C4' energy: -26.793
flat angles P-C4'-P energy: -10.613
tors. eta vs tors. theta energy: -35.729
Dist. restrs. and SS energy: 0.071 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -405.341443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.341443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.105419 (E_RNA)
where:
Base-Base interactions energy: -276.848
where: short stacking energy: -118.969
Base-Backbone interact. energy: -0.298
local terms energy: -128.959791
where:
bonds (distance) C4'-P energy: -23.222
bonds (distance) P-C4' energy: -25.280
flat angles C4'-P-C4' energy: -31.148
flat angles P-C4'-P energy: -12.058
tors. eta vs tors. theta energy: -37.252
Dist. restrs. and SS energy: 0.764 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -380.295933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.295933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.647633 (E_RNA)
where:
Base-Base interactions energy: -252.353
where: short stacking energy: -100.772
Base-Backbone interact. energy: -0.791
local terms energy: -127.503153
where:
bonds (distance) C4'-P energy: -29.760
bonds (distance) P-C4' energy: -26.234
flat angles C4'-P-C4' energy: -27.160
flat angles P-C4'-P energy: -18.562
tors. eta vs tors. theta energy: -25.787
Dist. restrs. and SS energy: 0.352 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -356.367272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.367272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.621441 (E_RNA)
where:
Base-Base interactions energy: -243.483
where: short stacking energy: -102.972
Base-Backbone interact. energy: -0.367
local terms energy: -112.770950
where:
bonds (distance) C4'-P energy: -20.991
bonds (distance) P-C4' energy: -24.399
flat angles C4'-P-C4' energy: -23.482
flat angles P-C4'-P energy: -16.423
tors. eta vs tors. theta energy: -27.476
Dist. restrs. and SS energy: 0.254 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -363.542748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.542748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.631279 (E_RNA)
where:
Base-Base interactions energy: -241.642
where: short stacking energy: -96.872
Base-Backbone interact. energy: -0.749
local terms energy: -121.240728
where:
bonds (distance) C4'-P energy: -20.703
bonds (distance) P-C4' energy: -23.831
flat angles C4'-P-C4' energy: -29.230
flat angles P-C4'-P energy: -20.534
tors. eta vs tors. theta energy: -26.943
Dist. restrs. and SS energy: 0.089 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -335.058196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.058196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.491429 (E_RNA)
where:
Base-Base interactions energy: -229.143
where: short stacking energy: -92.436
Base-Backbone interact. energy: -0.746
local terms energy: -105.601835
where:
bonds (distance) C4'-P energy: -18.319
bonds (distance) P-C4' energy: -22.424
flat angles C4'-P-C4' energy: -21.932
flat angles P-C4'-P energy: -17.134
tors. eta vs tors. theta energy: -25.792
Dist. restrs. and SS energy: 0.433 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -360.154789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.154789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.284702 (E_RNA)
where:
Base-Base interactions energy: -241.983
where: short stacking energy: -92.054
Base-Backbone interact. energy: -1.247
local terms energy: -117.054373
where:
bonds (distance) C4'-P energy: -29.754
bonds (distance) P-C4' energy: -26.174
flat angles C4'-P-C4' energy: -19.530
flat angles P-C4'-P energy: -17.117
tors. eta vs tors. theta energy: -24.479
Dist. restrs. and SS energy: 0.130 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -326.877133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.877133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.253831 (E_RNA)
where:
Base-Base interactions energy: -230.786
where: short stacking energy: -90.385
Base-Backbone interact. energy: -0.389
local terms energy: -96.078647
where:
bonds (distance) C4'-P energy: -27.897
bonds (distance) P-C4' energy: -25.254
flat angles C4'-P-C4' energy: -17.896
flat angles P-C4'-P energy: -7.204
tors. eta vs tors. theta energy: -17.828
Dist. restrs. and SS energy: 0.377 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -313.741063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.741063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.228110 (E_RNA)
where:
Base-Base interactions energy: -216.886
where: short stacking energy: -86.310
Base-Backbone interact. energy: -0.101
local terms energy: -97.241075
where:
bonds (distance) C4'-P energy: -22.102
bonds (distance) P-C4' energy: -24.142
flat angles C4'-P-C4' energy: -24.906
flat angles P-C4'-P energy: -8.914
tors. eta vs tors. theta energy: -17.177
Dist. restrs. and SS energy: 0.487 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -452.160455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.160455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.647771 (E_RNA)
where:
Base-Base interactions energy: -314.796
where: short stacking energy: -129.496
Base-Backbone interact. energy: 0.248
local terms energy: -138.099805
where:
bonds (distance) C4'-P energy: -21.575
bonds (distance) P-C4' energy: -26.827
flat angles C4'-P-C4' energy: -31.695
flat angles P-C4'-P energy: -25.651
tors. eta vs tors. theta energy: -32.351
Dist. restrs. and SS energy: 0.487 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -398.026411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.026411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.412529 (E_RNA)
where:
Base-Base interactions energy: -265.337
where: short stacking energy: -112.371
Base-Backbone interact. energy: 1.278
local terms energy: -134.353430
where:
bonds (distance) C4'-P energy: -31.528
bonds (distance) P-C4' energy: -29.745
flat angles C4'-P-C4' energy: -28.906
flat angles P-C4'-P energy: -15.754
tors. eta vs tors. theta energy: -28.422
Dist. restrs. and SS energy: 0.386 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -409.369469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.369469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.545509 (E_RNA)
where:
Base-Base interactions energy: -273.265
where: short stacking energy: -118.726
Base-Backbone interact. energy: -0.577
local terms energy: -135.703352
where:
bonds (distance) C4'-P energy: -23.945
bonds (distance) P-C4' energy: -30.691
flat angles C4'-P-C4' energy: -30.380
flat angles P-C4'-P energy: -17.185
tors. eta vs tors. theta energy: -33.504
Dist. restrs. and SS energy: 0.176 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -396.694589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.694589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.695317 (E_RNA)
where:
Base-Base interactions energy: -263.865
where: short stacking energy: -103.576
Base-Backbone interact. energy: -0.314
local terms energy: -132.516366
where:
bonds (distance) C4'-P energy: -26.312
bonds (distance) P-C4' energy: -27.004
flat angles C4'-P-C4' energy: -31.376
flat angles P-C4'-P energy: -16.299
tors. eta vs tors. theta energy: -31.526
Dist. restrs. and SS energy: 0.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -373.799769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.799769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.290153 (E_RNA)
where:
Base-Base interactions energy: -255.132
where: short stacking energy: -116.353
Base-Backbone interact. energy: -0.014
local terms energy: -119.144300
where:
bonds (distance) C4'-P energy: -18.130
bonds (distance) P-C4' energy: -30.221
flat angles C4'-P-C4' energy: -30.405
flat angles P-C4'-P energy: -11.998
tors. eta vs tors. theta energy: -28.391
Dist. restrs. and SS energy: 0.490 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -352.341290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.341290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.694022 (E_RNA)
where:
Base-Base interactions energy: -236.284
where: short stacking energy: -99.660
Base-Backbone interact. energy: -0.249
local terms energy: -116.160882
where:
bonds (distance) C4'-P energy: -21.977
bonds (distance) P-C4' energy: -26.531
flat angles C4'-P-C4' energy: -23.128
flat angles P-C4'-P energy: -16.784
tors. eta vs tors. theta energy: -27.741
Dist. restrs. and SS energy: 0.353 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -361.136562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.136562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.405800 (E_RNA)
where:
Base-Base interactions energy: -235.535
where: short stacking energy: -106.857
Base-Backbone interact. energy: -0.303
local terms energy: -125.568477
where:
bonds (distance) C4'-P energy: -28.858
bonds (distance) P-C4' energy: -27.055
flat angles C4'-P-C4' energy: -25.153
flat angles P-C4'-P energy: -17.008
tors. eta vs tors. theta energy: -27.495
Dist. restrs. and SS energy: 0.269 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -344.700190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.700190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.092634 (E_RNA)
where:
Base-Base interactions energy: -230.932
where: short stacking energy: -78.226
Base-Backbone interact. energy: -2.403
local terms energy: -111.758311
where:
bonds (distance) C4'-P energy: -27.285
bonds (distance) P-C4' energy: -26.020
flat angles C4'-P-C4' energy: -27.119
flat angles P-C4'-P energy: -16.294
tors. eta vs tors. theta energy: -15.039
Dist. restrs. and SS energy: 0.392 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -331.586897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.586897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.164244 (E_RNA)
where:
Base-Base interactions energy: -230.607
where: short stacking energy: -94.242
Base-Backbone interact. energy: -0.499
local terms energy: -101.058320
where:
bonds (distance) C4'-P energy: -15.718
bonds (distance) P-C4' energy: -15.880
flat angles C4'-P-C4' energy: -29.313
flat angles P-C4'-P energy: -13.019
tors. eta vs tors. theta energy: -27.128
Dist. restrs. and SS energy: 0.577 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -305.488272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.488272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.110003 (E_RNA)
where:
Base-Base interactions energy: -199.710
where: short stacking energy: -75.160
Base-Backbone interact. energy: -0.765
local terms energy: -105.635654
where:
bonds (distance) C4'-P energy: -20.068
bonds (distance) P-C4' energy: -28.396
flat angles C4'-P-C4' energy: -28.611
flat angles P-C4'-P energy: -10.280
tors. eta vs tors. theta energy: -18.280
Dist. restrs. and SS energy: 0.622 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -438.735698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.735698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.355338 (E_RNA)
where:
Base-Base interactions energy: -298.664
where: short stacking energy: -118.824
Base-Backbone interact. energy: -0.539
local terms energy: -140.152008
where:
bonds (distance) C4'-P energy: -29.367
bonds (distance) P-C4' energy: -28.689
flat angles C4'-P-C4' energy: -30.304
flat angles P-C4'-P energy: -21.919
tors. eta vs tors. theta energy: -29.873
Dist. restrs. and SS energy: 0.620 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -414.602206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.602206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.665181 (E_RNA)
where:
Base-Base interactions energy: -276.263
where: short stacking energy: -120.184
Base-Backbone interact. energy: -0.252
local terms energy: -138.150079
where:
bonds (distance) C4'-P energy: -26.260
bonds (distance) P-C4' energy: -26.603
flat angles C4'-P-C4' energy: -32.580
flat angles P-C4'-P energy: -16.598
tors. eta vs tors. theta energy: -36.109
Dist. restrs. and SS energy: 0.063 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -385.459931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.459931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.561025 (E_RNA)
where:
Base-Base interactions energy: -257.379
where: short stacking energy: -103.236
Base-Backbone interact. energy: 0.280
local terms energy: -128.461941
where:
bonds (distance) C4'-P energy: -21.294
bonds (distance) P-C4' energy: -29.822
flat angles C4'-P-C4' energy: -28.000
flat angles P-C4'-P energy: -22.938
tors. eta vs tors. theta energy: -26.407
Dist. restrs. and SS energy: 0.101 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -368.970649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.970649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.495724 (E_RNA)
where:
Base-Base interactions energy: -240.643
where: short stacking energy: -94.813
Base-Backbone interact. energy: -0.656
local terms energy: -128.196872
where:
bonds (distance) C4'-P energy: -24.771
bonds (distance) P-C4' energy: -30.781
flat angles C4'-P-C4' energy: -25.182
flat angles P-C4'-P energy: -18.341
tors. eta vs tors. theta energy: -29.121
Dist. restrs. and SS energy: 0.525 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -371.941413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.941413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.050259 (E_RNA)
where:
Base-Base interactions energy: -245.497
where: short stacking energy: -105.512
Base-Backbone interact. energy: 0.478
local terms energy: -127.030816
where:
bonds (distance) C4'-P energy: -24.042
bonds (distance) P-C4' energy: -23.755
flat angles C4'-P-C4' energy: -31.717
flat angles P-C4'-P energy: -15.761
tors. eta vs tors. theta energy: -31.756
Dist. restrs. and SS energy: 0.109 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -374.778063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.778063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.840398 (E_RNA)
where:
Base-Base interactions energy: -259.582
where: short stacking energy: -102.801
Base-Backbone interact. energy: -0.519
local terms energy: -114.739473
where:
bonds (distance) C4'-P energy: -20.144
bonds (distance) P-C4' energy: -23.965
flat angles C4'-P-C4' energy: -23.379
flat angles P-C4'-P energy: -20.194
tors. eta vs tors. theta energy: -27.057
Dist. restrs. and SS energy: 0.062 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -363.853659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.853659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.894264 (E_RNA)
where:
Base-Base interactions energy: -239.885
where: short stacking energy: -105.187
Base-Backbone interact. energy: -0.726
local terms energy: -123.282921
where:
bonds (distance) C4'-P energy: -28.113
bonds (distance) P-C4' energy: -24.591
flat angles C4'-P-C4' energy: -25.222
flat angles P-C4'-P energy: -16.292
tors. eta vs tors. theta energy: -29.065
Dist. restrs. and SS energy: 0.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -343.653304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.653304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.834851 (E_RNA)
where:
Base-Base interactions energy: -229.806
where: short stacking energy: -95.279
Base-Backbone interact. energy: 1.701
local terms energy: -115.729629
where:
bonds (distance) C4'-P energy: -21.667
bonds (distance) P-C4' energy: -26.824
flat angles C4'-P-C4' energy: -25.509
flat angles P-C4'-P energy: -15.382
tors. eta vs tors. theta energy: -26.347
Dist. restrs. and SS energy: 0.182 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -324.835933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.835933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.402705 (E_RNA)
where:
Base-Base interactions energy: -215.101
where: short stacking energy: -91.228
Base-Backbone interact. energy: -0.114
local terms energy: -110.187524
where:
bonds (distance) C4'-P energy: -18.221
bonds (distance) P-C4' energy: -22.337
flat angles C4'-P-C4' energy: -24.506
flat angles P-C4'-P energy: -18.425
tors. eta vs tors. theta energy: -26.699
Dist. restrs. and SS energy: 0.567 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -303.188006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.188006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.622061 (E_RNA)
where:
Base-Base interactions energy: -213.957
where: short stacking energy: -73.976
Base-Backbone interact. energy: -0.514
local terms energy: -89.150542
where:
bonds (distance) C4'-P energy: -12.157
bonds (distance) P-C4' energy: -24.823
flat angles C4'-P-C4' energy: -21.037
flat angles P-C4'-P energy: -14.402
tors. eta vs tors. theta energy: -16.731
Dist. restrs. and SS energy: 0.434 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -437.278004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.278004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.725197 (E_RNA)
where:
Base-Base interactions energy: -305.056
where: short stacking energy: -109.666
Base-Backbone interact. energy: -0.364
local terms energy: -132.305155
where:
bonds (distance) C4'-P energy: -28.507
bonds (distance) P-C4' energy: -29.767
flat angles C4'-P-C4' energy: -24.827
flat angles P-C4'-P energy: -18.168
tors. eta vs tors. theta energy: -31.036
Dist. restrs. and SS energy: 0.447 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -416.001512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.001512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.381629 (E_RNA)
where:
Base-Base interactions energy: -274.927
where: short stacking energy: -113.621
Base-Backbone interact. energy: -0.320
local terms energy: -141.134648
where:
bonds (distance) C4'-P energy: -29.921
bonds (distance) P-C4' energy: -31.695
flat angles C4'-P-C4' energy: -29.595
flat angles P-C4'-P energy: -18.158
tors. eta vs tors. theta energy: -31.766
Dist. restrs. and SS energy: 0.380 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -377.535322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.535322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.670345 (E_RNA)
where:
Base-Base interactions energy: -254.831
where: short stacking energy: -95.915
Base-Backbone interact. energy: -1.532
local terms energy: -121.307488
where:
bonds (distance) C4'-P energy: -23.422
bonds (distance) P-C4' energy: -27.913
flat angles C4'-P-C4' energy: -23.264
flat angles P-C4'-P energy: -18.482
tors. eta vs tors. theta energy: -28.227
Dist. restrs. and SS energy: 0.135 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -363.754705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.754705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.999144 (E_RNA)
where:
Base-Base interactions energy: -248.869
where: short stacking energy: -91.538
Base-Backbone interact. energy: -0.180
local terms energy: -114.950324
where:
bonds (distance) C4'-P energy: -22.332
bonds (distance) P-C4' energy: -24.346
flat angles C4'-P-C4' energy: -23.717
flat angles P-C4'-P energy: -13.802
tors. eta vs tors. theta energy: -30.754
Dist. restrs. and SS energy: 0.244 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -383.109926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.109926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.409415 (E_RNA)
where:
Base-Base interactions energy: -245.813
where: short stacking energy: -96.379
Base-Backbone interact. energy: -0.404
local terms energy: -137.193067
where:
bonds (distance) C4'-P energy: -30.139
bonds (distance) P-C4' energy: -25.052
flat angles C4'-P-C4' energy: -29.319
flat angles P-C4'-P energy: -21.322
tors. eta vs tors. theta energy: -31.361
Dist. restrs. and SS energy: 0.299 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -372.213266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.213266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.738226 (E_RNA)
where:
Base-Base interactions energy: -244.932
where: short stacking energy: -92.336
Base-Backbone interact. energy: -0.520
local terms energy: -127.286443
where:
bonds (distance) C4'-P energy: -27.003
bonds (distance) P-C4' energy: -28.657
flat angles C4'-P-C4' energy: -26.156
flat angles P-C4'-P energy: -15.545
tors. eta vs tors. theta energy: -29.926
Dist. restrs. and SS energy: 0.525 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -337.052432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.052432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.301729 (E_RNA)
where:
Base-Base interactions energy: -222.677
where: short stacking energy: -82.272
Base-Backbone interact. energy: -0.180
local terms energy: -114.445114
where:
bonds (distance) C4'-P energy: -22.926
bonds (distance) P-C4' energy: -29.869
flat angles C4'-P-C4' energy: -20.303
flat angles P-C4'-P energy: -16.459
tors. eta vs tors. theta energy: -24.889
Dist. restrs. and SS energy: 0.249 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -348.881173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.881173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.975111 (E_RNA)
where:
Base-Base interactions energy: -243.998
where: short stacking energy: -86.946
Base-Backbone interact. energy: 1.378
local terms energy: -106.355229
where:
bonds (distance) C4'-P energy: -20.785
bonds (distance) P-C4' energy: -26.089
flat angles C4'-P-C4' energy: -29.941
flat angles P-C4'-P energy: -8.150
tors. eta vs tors. theta energy: -21.389
Dist. restrs. and SS energy: 0.094 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -331.891444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.891444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.175974 (E_RNA)
where:
Base-Base interactions energy: -228.560
where: short stacking energy: -86.163
Base-Backbone interact. energy: -1.243
local terms energy: -102.373281
where:
bonds (distance) C4'-P energy: -22.147
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -23.764
flat angles P-C4'-P energy: -18.660
tors. eta vs tors. theta energy: -21.234
Dist. restrs. and SS energy: 0.285 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -258.634784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.634784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.361250 (E_RNA)
where:
Base-Base interactions energy: -172.937
where: short stacking energy: -75.372
Base-Backbone interact. energy: 2.985
local terms energy: -95.409803
where:
bonds (distance) C4'-P energy: -26.803
bonds (distance) P-C4' energy: -19.888
flat angles C4'-P-C4' energy: -20.199
flat angles P-C4'-P energy: -16.920
tors. eta vs tors. theta energy: -11.601
Dist. restrs. and SS energy: 6.726 (S_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: 453
Temperature: 0.900000
Total energy: -435.844263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.844263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.184483 (E_RNA)
where:
Base-Base interactions energy: -309.236
where: short stacking energy: -109.454
Base-Backbone interact. energy: -0.773
local terms energy: -126.175147
where:
bonds (distance) C4'-P energy: -23.939
bonds (distance) P-C4' energy: -28.753
flat angles C4'-P-C4' energy: -25.644
flat angles P-C4'-P energy: -12.791
tors. eta vs tors. theta energy: -35.049
Dist. restrs. and SS energy: 0.340 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -410.773233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.773233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.930722 (E_RNA)
where:
Base-Base interactions energy: -271.429
where: short stacking energy: -122.623
Base-Backbone interact. energy: 0.220
local terms energy: -139.721029
where:
bonds (distance) C4'-P energy: -28.063
bonds (distance) P-C4' energy: -31.427
flat angles C4'-P-C4' energy: -26.499
flat angles P-C4'-P energy: -19.747
tors. eta vs tors. theta energy: -33.986
Dist. restrs. and SS energy: 0.157 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -386.577673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.577673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.779323 (E_RNA)
where:
Base-Base interactions energy: -255.507
where: short stacking energy: -96.654
Base-Backbone interact. energy: 0.290
local terms energy: -131.561866
where:
bonds (distance) C4'-P energy: -23.065
bonds (distance) P-C4' energy: -29.576
flat angles C4'-P-C4' energy: -29.402
flat angles P-C4'-P energy: -18.573
tors. eta vs tors. theta energy: -30.946
Dist. restrs. and SS energy: 0.202 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -393.452217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.452217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.467820 (E_RNA)
where:
Base-Base interactions energy: -262.901
where: short stacking energy: -110.382
Base-Backbone interact. energy: -0.536
local terms energy: -130.030877
where:
bonds (distance) C4'-P energy: -27.547
bonds (distance) P-C4' energy: -26.923
flat angles C4'-P-C4' energy: -29.045
flat angles P-C4'-P energy: -15.661
tors. eta vs tors. theta energy: -30.854
Dist. restrs. and SS energy: 0.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -370.787012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.787012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.931900 (E_RNA)
where:
Base-Base interactions energy: -251.125
where: short stacking energy: -101.402
Base-Backbone interact. energy: -0.079
local terms energy: -119.727989
where:
bonds (distance) C4'-P energy: -23.453
bonds (distance) P-C4' energy: -22.721
flat angles C4'-P-C4' energy: -29.071
flat angles P-C4'-P energy: -17.926
tors. eta vs tors. theta energy: -26.557
Dist. restrs. and SS energy: 0.145 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -359.636523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.636523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.831171 (E_RNA)
where:
Base-Base interactions energy: -230.696
where: short stacking energy: -86.770
Base-Backbone interact. energy: -0.101
local terms energy: -129.034082
where:
bonds (distance) C4'-P energy: -29.284
bonds (distance) P-C4' energy: -31.708
flat angles C4'-P-C4' energy: -28.701
flat angles P-C4'-P energy: -17.188
tors. eta vs tors. theta energy: -22.153
Dist. restrs. and SS energy: 0.195 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -351.700451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.700451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.935932 (E_RNA)
where:
Base-Base interactions energy: -248.570
where: short stacking energy: -89.328
Base-Backbone interact. energy: -0.286
local terms energy: -103.079137
where:
bonds (distance) C4'-P energy: -18.222
bonds (distance) P-C4' energy: -24.254
flat angles C4'-P-C4' energy: -21.277
flat angles P-C4'-P energy: -18.219
tors. eta vs tors. theta energy: -21.107
Dist. restrs. and SS energy: 0.235 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -353.530009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.530009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.999616 (E_RNA)
where:
Base-Base interactions energy: -249.759
where: short stacking energy: -107.275
Base-Backbone interact. energy: -0.102
local terms energy: -104.139213
where:
bonds (distance) C4'-P energy: -19.325
bonds (distance) P-C4' energy: -20.428
flat angles C4'-P-C4' energy: -22.338
flat angles P-C4'-P energy: -9.443
tors. eta vs tors. theta energy: -32.604
Dist. restrs. and SS energy: 0.470 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -312.644936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.644936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.741296 (E_RNA)
where:
Base-Base interactions energy: -214.628
where: short stacking energy: -78.137
Base-Backbone interact. energy: -0.405
local terms energy: -97.708215
where:
bonds (distance) C4'-P energy: -12.271
bonds (distance) P-C4' energy: -28.400
flat angles C4'-P-C4' energy: -24.680
flat angles P-C4'-P energy: -11.615
tors. eta vs tors. theta energy: -20.742
Dist. restrs. and SS energy: 0.096 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -276.728658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.728658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.108250 (E_RNA)
where:
Base-Base interactions energy: -189.319
where: short stacking energy: -65.332
Base-Backbone interact. energy: 1.081
local terms energy: -91.870389
where:
bonds (distance) C4'-P energy: -18.777
bonds (distance) P-C4' energy: -25.716
flat angles C4'-P-C4' energy: -25.227
flat angles P-C4'-P energy: -12.974
tors. eta vs tors. theta energy: -9.176
Dist. restrs. and SS energy: 3.380 (S_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: 454
Temperature: 0.900000
Total energy: -440.931597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.931597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.326037 (E_RNA)
where:
Base-Base interactions energy: -300.190
where: short stacking energy: -109.218
Base-Backbone interact. energy: -1.473
local terms energy: -139.663338
where:
bonds (distance) C4'-P energy: -31.296
bonds (distance) P-C4' energy: -24.132
flat angles C4'-P-C4' energy: -31.108
flat angles P-C4'-P energy: -20.914
tors. eta vs tors. theta energy: -32.213
Dist. restrs. and SS energy: 0.394 (S_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: 454
Temperature: 0.950000
Total energy: -399.494031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.494031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.813603 (E_RNA)
where:
Base-Base interactions energy: -262.002
where: short stacking energy: -117.347
Base-Backbone interact. energy: -0.526
local terms energy: -137.286264
where:
bonds (distance) C4'-P energy: -28.138
bonds (distance) P-C4' energy: -30.869
flat angles C4'-P-C4' energy: -30.686
flat angles P-C4'-P energy: -18.508
tors. eta vs tors. theta energy: -29.085
Dist. restrs. and SS energy: 0.320 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -387.220552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.220552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.340507 (E_RNA)
where:
Base-Base interactions energy: -256.085
where: short stacking energy: -106.536
Base-Backbone interact. energy: -1.168
local terms energy: -130.086985
where:
bonds (distance) C4'-P energy: -23.227
bonds (distance) P-C4' energy: -31.385
flat angles C4'-P-C4' energy: -26.389
flat angles P-C4'-P energy: -18.422
tors. eta vs tors. theta energy: -30.664
Dist. restrs. and SS energy: 0.120 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -397.351628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.351628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.631193 (E_RNA)
where:
Base-Base interactions energy: -266.101
where: short stacking energy: -108.857
Base-Backbone interact. energy: -0.654
local terms energy: -130.875842
where:
bonds (distance) C4'-P energy: -26.700
bonds (distance) P-C4' energy: -26.003
flat angles C4'-P-C4' energy: -29.072
flat angles P-C4'-P energy: -16.569
tors. eta vs tors. theta energy: -32.532
Dist. restrs. and SS energy: 0.280 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -365.605585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.605585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.822005 (E_RNA)
where:
Base-Base interactions energy: -247.496
where: short stacking energy: -95.266
Base-Backbone interact. energy: -1.100
local terms energy: -117.226082
where:
bonds (distance) C4'-P energy: -19.905
bonds (distance) P-C4' energy: -29.805
flat angles C4'-P-C4' energy: -25.401
flat angles P-C4'-P energy: -19.672
tors. eta vs tors. theta energy: -22.443
Dist. restrs. and SS energy: 0.216 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -352.972996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.972996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.217353 (E_RNA)
where:
Base-Base interactions energy: -226.647
where: short stacking energy: -97.361
Base-Backbone interact. energy: 0.861
local terms energy: -127.431477
where:
bonds (distance) C4'-P energy: -26.969
bonds (distance) P-C4' energy: -25.925
flat angles C4'-P-C4' energy: -31.714
flat angles P-C4'-P energy: -16.595
tors. eta vs tors. theta energy: -26.229
Dist. restrs. and SS energy: 0.244 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -371.772554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.772554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.969536 (E_RNA)
where:
Base-Base interactions energy: -258.012
where: short stacking energy: -110.927
Base-Backbone interact. energy: -0.580
local terms energy: -113.378024
where:
bonds (distance) C4'-P energy: -13.041
bonds (distance) P-C4' energy: -23.959
flat angles C4'-P-C4' energy: -29.601
flat angles P-C4'-P energy: -16.012
tors. eta vs tors. theta energy: -30.765
Dist. restrs. and SS energy: 0.197 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -360.244432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.244432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.729103 (E_RNA)
where:
Base-Base interactions energy: -245.395
where: short stacking energy: -82.925
Base-Backbone interact. energy: -0.393
local terms energy: -114.940472
where:
bonds (distance) C4'-P energy: -18.509
bonds (distance) P-C4' energy: -28.075
flat angles C4'-P-C4' energy: -31.149
flat angles P-C4'-P energy: -12.324
tors. eta vs tors. theta energy: -24.884
Dist. restrs. and SS energy: 0.485 (S_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: 454
Temperature: 1.300000
Total energy: -315.013972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.013972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.267226 (E_RNA)
where:
Base-Base interactions energy: -206.159
where: short stacking energy: -77.007
Base-Backbone interact. energy: -0.623
local terms energy: -108.485910
where:
bonds (distance) C4'-P energy: -29.002
bonds (distance) P-C4' energy: -28.154
flat angles C4'-P-C4' energy: -20.101
flat angles P-C4'-P energy: -12.263
tors. eta vs tors. theta energy: -18.966
Dist. restrs. and SS energy: 0.253 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -281.315373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.315373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.874026 (E_RNA)
where:
Base-Base interactions energy: -190.835
where: short stacking energy: -76.416
Base-Backbone interact. energy: 1.206
local terms energy: -94.245986
where:
bonds (distance) C4'-P energy: -19.178
bonds (distance) P-C4' energy: -18.780
flat angles C4'-P-C4' energy: -18.949
flat angles P-C4'-P energy: -16.845
tors. eta vs tors. theta energy: -20.494
Dist. restrs. and SS energy: 2.559 (S_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: 455
Temperature: 0.900000
Total energy: -446.190371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.190371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.576198 (E_RNA)
where:
Base-Base interactions energy: -316.078
where: short stacking energy: -119.569
Base-Backbone interact. energy: -0.449
local terms energy: -130.048957
where:
bonds (distance) C4'-P energy: -27.331
bonds (distance) P-C4' energy: -26.541
flat angles C4'-P-C4' energy: -29.567
flat angles P-C4'-P energy: -15.122
tors. eta vs tors. theta energy: -31.488
Dist. restrs. and SS energy: 0.386 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -402.350448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.350448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.601479 (E_RNA)
where:
Base-Base interactions energy: -266.954
where: short stacking energy: -118.707
Base-Backbone interact. energy: 0.502
local terms energy: -136.149668
where:
bonds (distance) C4'-P energy: -31.040
bonds (distance) P-C4' energy: -28.006
flat angles C4'-P-C4' energy: -26.834
flat angles P-C4'-P energy: -17.481
tors. eta vs tors. theta energy: -32.788
Dist. restrs. and SS energy: 0.251 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -392.877246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.877246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.102621 (E_RNA)
where:
Base-Base interactions energy: -257.665
where: short stacking energy: -114.651
Base-Backbone interact. energy: -0.083
local terms energy: -135.354839
where:
bonds (distance) C4'-P energy: -28.022
bonds (distance) P-C4' energy: -29.045
flat angles C4'-P-C4' energy: -27.737
flat angles P-C4'-P energy: -16.118
tors. eta vs tors. theta energy: -34.432
Dist. restrs. and SS energy: 0.225 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -383.744141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.744141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.907778 (E_RNA)
where:
Base-Base interactions energy: -258.679
where: short stacking energy: -113.219
Base-Backbone interact. energy: 0.247
local terms energy: -125.475248
where:
bonds (distance) C4'-P energy: -24.507
bonds (distance) P-C4' energy: -27.436
flat angles C4'-P-C4' energy: -25.010
flat angles P-C4'-P energy: -17.179
tors. eta vs tors. theta energy: -31.343
Dist. restrs. and SS energy: 0.164 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -352.992502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.992502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.439479 (E_RNA)
where:
Base-Base interactions energy: -237.608
where: short stacking energy: -92.214
Base-Backbone interact. energy: -0.151
local terms energy: -115.680287
where:
bonds (distance) C4'-P energy: -22.061
bonds (distance) P-C4' energy: -26.105
flat angles C4'-P-C4' energy: -23.501
flat angles P-C4'-P energy: -13.990
tors. eta vs tors. theta energy: -30.023
Dist. restrs. and SS energy: 0.447 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -387.364355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.364355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.606104 (E_RNA)
where:
Base-Base interactions energy: -257.064
where: short stacking energy: -106.582
Base-Backbone interact. energy: -0.482
local terms energy: -130.060730
where:
bonds (distance) C4'-P energy: -20.486
bonds (distance) P-C4' energy: -25.539
flat angles C4'-P-C4' energy: -29.832
flat angles P-C4'-P energy: -23.623
tors. eta vs tors. theta energy: -30.579
Dist. restrs. and SS energy: 0.242 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -349.027005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.027005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.211555 (E_RNA)
where:
Base-Base interactions energy: -230.384
where: short stacking energy: -86.694
Base-Backbone interact. energy: 0.658
local terms energy: -119.485516
where:
bonds (distance) C4'-P energy: -27.474
bonds (distance) P-C4' energy: -24.797
flat angles C4'-P-C4' energy: -23.739
flat angles P-C4'-P energy: -15.884
tors. eta vs tors. theta energy: -27.592
Dist. restrs. and SS energy: 0.185 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -318.251172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.251172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.872932 (E_RNA)
where:
Base-Base interactions energy: -213.976
where: short stacking energy: -82.774
Base-Backbone interact. energy: -0.672
local terms energy: -104.224698
where:
bonds (distance) C4'-P energy: -18.821
bonds (distance) P-C4' energy: -21.729
flat angles C4'-P-C4' energy: -24.022
flat angles P-C4'-P energy: -18.479
tors. eta vs tors. theta energy: -21.173
Dist. restrs. and SS energy: 0.622 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -335.278743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.278743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.461436 (E_RNA)
where:
Base-Base interactions energy: -230.390
where: short stacking energy: -91.261
Base-Backbone interact. energy: 0.013
local terms energy: -105.084590
where:
bonds (distance) C4'-P energy: -11.281
bonds (distance) P-C4' energy: -23.382
flat angles C4'-P-C4' energy: -34.517
flat angles P-C4'-P energy: -14.066
tors. eta vs tors. theta energy: -21.838
Dist. restrs. and SS energy: 0.183 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -278.864723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.864723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.066860 (E_RNA)
where:
Base-Base interactions energy: -182.068
where: short stacking energy: -71.374
Base-Backbone interact. energy: -0.068
local terms energy: -99.930075
where:
bonds (distance) C4'-P energy: -19.766
bonds (distance) P-C4' energy: -20.818
flat angles C4'-P-C4' energy: -22.347
flat angles P-C4'-P energy: -14.779
tors. eta vs tors. theta energy: -22.219
Dist. restrs. and SS energy: 3.202 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -436.183509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.183509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.406060 (E_RNA)
where:
Base-Base interactions energy: -309.750
where: short stacking energy: -113.724
Base-Backbone interact. energy: -0.566
local terms energy: -126.090413
where:
bonds (distance) C4'-P energy: -27.884
bonds (distance) P-C4' energy: -27.481
flat angles C4'-P-C4' energy: -25.942
flat angles P-C4'-P energy: -15.680
tors. eta vs tors. theta energy: -29.102
Dist. restrs. and SS energy: 0.223 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -403.901284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.901284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.225872 (E_RNA)
where:
Base-Base interactions energy: -267.624
where: short stacking energy: -119.137
Base-Backbone interact. energy: -1.405
local terms energy: -135.196262
where:
bonds (distance) C4'-P energy: -25.488
bonds (distance) P-C4' energy: -23.664
flat angles C4'-P-C4' energy: -32.435
flat angles P-C4'-P energy: -19.290
tors. eta vs tors. theta energy: -34.319
Dist. restrs. and SS energy: 0.325 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -386.509446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.509446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.686831 (E_RNA)
where:
Base-Base interactions energy: -258.663
where: short stacking energy: -109.593
Base-Backbone interact. energy: 0.877
local terms energy: -128.900292
where:
bonds (distance) C4'-P energy: -26.834
bonds (distance) P-C4' energy: -23.633
flat angles C4'-P-C4' energy: -29.027
flat angles P-C4'-P energy: -17.432
tors. eta vs tors. theta energy: -31.974
Dist. restrs. and SS energy: 0.177 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -379.550156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.550156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.741839 (E_RNA)
where:
Base-Base interactions energy: -252.429
where: short stacking energy: -99.477
Base-Backbone interact. energy: 1.060
local terms energy: -128.373588
where:
bonds (distance) C4'-P energy: -27.702
bonds (distance) P-C4' energy: -27.998
flat angles C4'-P-C4' energy: -24.366
flat angles P-C4'-P energy: -16.807
tors. eta vs tors. theta energy: -31.501
Dist. restrs. and SS energy: 0.192 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -384.416059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.416059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.499756 (E_RNA)
where:
Base-Base interactions energy: -256.478
where: short stacking energy: -111.315
Base-Backbone interact. energy: 0.319
local terms energy: -128.340849
where:
bonds (distance) C4'-P energy: -29.221
bonds (distance) P-C4' energy: -26.258
flat angles C4'-P-C4' energy: -29.178
flat angles P-C4'-P energy: -13.847
tors. eta vs tors. theta energy: -29.836
Dist. restrs. and SS energy: 0.084 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -346.466385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.466385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.662339 (E_RNA)
where:
Base-Base interactions energy: -235.686
where: short stacking energy: -93.513
Base-Backbone interact. energy: 0.365
local terms energy: -111.341778
where:
bonds (distance) C4'-P energy: -25.284
bonds (distance) P-C4' energy: -22.947
flat angles C4'-P-C4' energy: -28.811
flat angles P-C4'-P energy: -12.669
tors. eta vs tors. theta energy: -21.630
Dist. restrs. and SS energy: 0.196 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -354.025222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.025222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.243661 (E_RNA)
where:
Base-Base interactions energy: -242.316
where: short stacking energy: -88.655
Base-Backbone interact. energy: 0.610
local terms energy: -112.537512
where:
bonds (distance) C4'-P energy: -22.649
bonds (distance) P-C4' energy: -26.116
flat angles C4'-P-C4' energy: -24.135
flat angles P-C4'-P energy: -20.657
tors. eta vs tors. theta energy: -18.980
Dist. restrs. and SS energy: 0.218 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -333.809759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.809759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.944509 (E_RNA)
where:
Base-Base interactions energy: -222.231
where: short stacking energy: -82.247
Base-Backbone interact. energy: -0.152
local terms energy: -111.560785
where:
bonds (distance) C4'-P energy: -20.644
bonds (distance) P-C4' energy: -30.496
flat angles C4'-P-C4' energy: -22.303
flat angles P-C4'-P energy: -15.768
tors. eta vs tors. theta energy: -22.351
Dist. restrs. and SS energy: 0.135 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -334.724455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.724455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.163907 (E_RNA)
where:
Base-Base interactions energy: -229.263
where: short stacking energy: -92.432
Base-Backbone interact. energy: -0.341
local terms energy: -105.560335
where:
bonds (distance) C4'-P energy: -22.160
bonds (distance) P-C4' energy: -24.278
flat angles C4'-P-C4' energy: -28.604
flat angles P-C4'-P energy: -5.788
tors. eta vs tors. theta energy: -24.730
Dist. restrs. and SS energy: 0.439 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -283.800412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.800412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.904861 (E_RNA)
where:
Base-Base interactions energy: -181.784
where: short stacking energy: -70.299
Base-Backbone interact. energy: 1.704
local terms energy: -105.824893
where:
bonds (distance) C4'-P energy: -12.720
bonds (distance) P-C4' energy: -26.772
flat angles C4'-P-C4' energy: -25.880
flat angles P-C4'-P energy: -15.599
tors. eta vs tors. theta energy: -24.854
Dist. restrs. and SS energy: 2.104 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -437.085370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.085370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.354799 (E_RNA)
where:
Base-Base interactions energy: -306.590
where: short stacking energy: -106.958
Base-Backbone interact. energy: -0.573
local terms energy: -130.191727
where:
bonds (distance) C4'-P energy: -25.956
bonds (distance) P-C4' energy: -28.927
flat angles C4'-P-C4' energy: -30.628
flat angles P-C4'-P energy: -17.584
tors. eta vs tors. theta energy: -27.097
Dist. restrs. and SS energy: 0.269 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -399.354741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.354741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.439525 (E_RNA)
where:
Base-Base interactions energy: -268.313
where: short stacking energy: -109.872
Base-Backbone interact. energy: -0.965
local terms energy: -130.161555
where:
bonds (distance) C4'-P energy: -27.210
bonds (distance) P-C4' energy: -30.247
flat angles C4'-P-C4' energy: -29.148
flat angles P-C4'-P energy: -18.254
tors. eta vs tors. theta energy: -25.303
Dist. restrs. and SS energy: 0.085 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -377.635952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.635952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.924059 (E_RNA)
where:
Base-Base interactions energy: -256.833
where: short stacking energy: -101.846
Base-Backbone interact. energy: -0.457
local terms energy: -120.634543
where:
bonds (distance) C4'-P energy: -26.962
bonds (distance) P-C4' energy: -25.021
flat angles C4'-P-C4' energy: -26.520
flat angles P-C4'-P energy: -15.082
tors. eta vs tors. theta energy: -27.050
Dist. restrs. and SS energy: 0.288 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -392.542184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.542184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.044986 (E_RNA)
where:
Base-Base interactions energy: -269.672
where: short stacking energy: -106.084
Base-Backbone interact. energy: -0.253
local terms energy: -123.120179
where:
bonds (distance) C4'-P energy: -25.395
bonds (distance) P-C4' energy: -25.463
flat angles C4'-P-C4' energy: -25.907
flat angles P-C4'-P energy: -17.539
tors. eta vs tors. theta energy: -28.816
Dist. restrs. and SS energy: 0.503 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -392.733133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.733133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.242445 (E_RNA)
where:
Base-Base interactions energy: -262.430
where: short stacking energy: -114.902
Base-Backbone interact. energy: -1.142
local terms energy: -129.670078
where:
bonds (distance) C4'-P energy: -24.141
bonds (distance) P-C4' energy: -23.067
flat angles C4'-P-C4' energy: -28.403
flat angles P-C4'-P energy: -23.697
tors. eta vs tors. theta energy: -30.363
Dist. restrs. and SS energy: 0.509 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -377.652026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.652026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.154072 (E_RNA)
where:
Base-Base interactions energy: -262.344
where: short stacking energy: -105.789
Base-Backbone interact. energy: -0.578
local terms energy: -115.232050
where:
bonds (distance) C4'-P energy: -19.662
bonds (distance) P-C4' energy: -25.065
flat angles C4'-P-C4' energy: -26.761
flat angles P-C4'-P energy: -14.824
tors. eta vs tors. theta energy: -28.919
Dist. restrs. and SS energy: 0.502 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -344.611784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.611784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.643816 (E_RNA)
where:
Base-Base interactions energy: -236.579
where: short stacking energy: -92.053
Base-Backbone interact. energy: 0.331
local terms energy: -108.396342
where:
bonds (distance) C4'-P energy: -25.157
bonds (distance) P-C4' energy: -22.688
flat angles C4'-P-C4' energy: -25.531
flat angles P-C4'-P energy: -14.719
tors. eta vs tors. theta energy: -20.302
Dist. restrs. and SS energy: 0.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -367.280123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.280123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.511202 (E_RNA)
where:
Base-Base interactions energy: -240.251
where: short stacking energy: -96.170
Base-Backbone interact. energy: 0.598
local terms energy: -127.858394
where:
bonds (distance) C4'-P energy: -27.817
bonds (distance) P-C4' energy: -24.867
flat angles C4'-P-C4' energy: -23.969
flat angles P-C4'-P energy: -23.299
tors. eta vs tors. theta energy: -27.907
Dist. restrs. and SS energy: 0.231 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -320.346720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.346720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.431428 (E_RNA)
where:
Base-Base interactions energy: -219.225
where: short stacking energy: -78.750
Base-Backbone interact. energy: -0.847
local terms energy: -100.358669
where:
bonds (distance) C4'-P energy: -19.232
bonds (distance) P-C4' energy: -22.013
flat angles C4'-P-C4' energy: -22.648
flat angles P-C4'-P energy: -11.394
tors. eta vs tors. theta energy: -25.072
Dist. restrs. and SS energy: 0.085 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -280.377423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.377423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.251896 (E_RNA)
where:
Base-Base interactions energy: -195.931
where: short stacking energy: -73.401
Base-Backbone interact. energy: -0.973
local terms energy: -89.347751
where:
bonds (distance) C4'-P energy: -24.891
bonds (distance) P-C4' energy: -26.160
flat angles C4'-P-C4' energy: -14.031
flat angles P-C4'-P energy: -12.997
tors. eta vs tors. theta energy: -11.270
Dist. restrs. and SS energy: 5.874 (S_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: 458
Temperature: 0.900000
Total energy: -430.750067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.750067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.308086 (E_RNA)
where:
Base-Base interactions energy: -307.342
where: short stacking energy: -110.184
Base-Backbone interact. energy: -0.885
local terms energy: -123.081551
where:
bonds (distance) C4'-P energy: -21.677
bonds (distance) P-C4' energy: -26.051
flat angles C4'-P-C4' energy: -29.681
flat angles P-C4'-P energy: -12.435
tors. eta vs tors. theta energy: -33.238
Dist. restrs. and SS energy: 0.558 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -414.135593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.135593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.240935 (E_RNA)
where:
Base-Base interactions energy: -278.976
where: short stacking energy: -120.121
Base-Backbone interact. energy: -1.143
local terms energy: -134.121862
where:
bonds (distance) C4'-P energy: -28.684
bonds (distance) P-C4' energy: -27.525
flat angles C4'-P-C4' energy: -25.636
flat angles P-C4'-P energy: -17.619
tors. eta vs tors. theta energy: -34.657
Dist. restrs. and SS energy: 0.105 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -401.821998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.821998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.869044 (E_RNA)
where:
Base-Base interactions energy: -268.998
where: short stacking energy: -104.842
Base-Backbone interact. energy: 0.484
local terms energy: -133.355016
where:
bonds (distance) C4'-P energy: -31.533
bonds (distance) P-C4' energy: -28.367
flat angles C4'-P-C4' energy: -26.939
flat angles P-C4'-P energy: -15.772
tors. eta vs tors. theta energy: -30.744
Dist. restrs. and SS energy: 0.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -361.519437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.519437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.109501 (E_RNA)
where:
Base-Base interactions energy: -244.452
where: short stacking energy: -100.433
Base-Backbone interact. energy: 1.440
local terms energy: -119.097259
where:
bonds (distance) C4'-P energy: -24.949
bonds (distance) P-C4' energy: -26.163
flat angles C4'-P-C4' energy: -27.234
flat angles P-C4'-P energy: -16.974
tors. eta vs tors. theta energy: -23.778
Dist. restrs. and SS energy: 0.590 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -381.019374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.019374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.260080 (E_RNA)
where:
Base-Base interactions energy: -264.540
where: short stacking energy: -107.778
Base-Backbone interact. energy: 0.433
local terms energy: -117.153562
where:
bonds (distance) C4'-P energy: -28.282
bonds (distance) P-C4' energy: -22.715
flat angles C4'-P-C4' energy: -24.648
flat angles P-C4'-P energy: -12.088
tors. eta vs tors. theta energy: -29.421
Dist. restrs. and SS energy: 0.241 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -373.749670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.749670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.666059 (E_RNA)
where:
Base-Base interactions energy: -245.816
where: short stacking energy: -107.979
Base-Backbone interact. energy: -0.471
local terms energy: -128.378693
where:
bonds (distance) C4'-P energy: -21.970
bonds (distance) P-C4' energy: -29.844
flat angles C4'-P-C4' energy: -25.334
flat angles P-C4'-P energy: -22.317
tors. eta vs tors. theta energy: -28.913
Dist. restrs. and SS energy: 0.916 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -358.894530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.894530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.321964 (E_RNA)
where:
Base-Base interactions energy: -247.003
where: short stacking energy: -104.243
Base-Backbone interact. energy: -0.831
local terms energy: -111.488081
where:
bonds (distance) C4'-P energy: -24.557
bonds (distance) P-C4' energy: -22.254
flat angles C4'-P-C4' energy: -30.129
flat angles P-C4'-P energy: -3.658
tors. eta vs tors. theta energy: -30.889
Dist. restrs. and SS energy: 0.427 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -345.495493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.495493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.638772 (E_RNA)
where:
Base-Base interactions energy: -228.716
where: short stacking energy: -85.893
Base-Backbone interact. energy: -1.149
local terms energy: -115.774313
where:
bonds (distance) C4'-P energy: -24.694
bonds (distance) P-C4' energy: -24.027
flat angles C4'-P-C4' energy: -23.409
flat angles P-C4'-P energy: -17.895
tors. eta vs tors. theta energy: -25.749
Dist. restrs. and SS energy: 0.143 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -322.855946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.855946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.089262 (E_RNA)
where:
Base-Base interactions energy: -226.163
where: short stacking energy: -87.238
Base-Backbone interact. energy: 1.328
local terms energy: -98.254952
where:
bonds (distance) C4'-P energy: -18.469
bonds (distance) P-C4' energy: -20.728
flat angles C4'-P-C4' energy: -25.181
flat angles P-C4'-P energy: -13.847
tors. eta vs tors. theta energy: -20.030
Dist. restrs. and SS energy: 0.233 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -284.809891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.809891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.660004 (E_RNA)
where:
Base-Base interactions energy: -193.992
where: short stacking energy: -71.809
Base-Backbone interact. energy: -0.214
local terms energy: -93.453979
where:
bonds (distance) C4'-P energy: -16.870
bonds (distance) P-C4' energy: -22.154
flat angles C4'-P-C4' energy: -19.248
flat angles P-C4'-P energy: -15.623
tors. eta vs tors. theta energy: -19.559
Dist. restrs. and SS energy: 2.850 (S_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: 459
Temperature: 0.900000
Total energy: -439.526115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.526115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.056844 (E_RNA)
where:
Base-Base interactions energy: -303.873
where: short stacking energy: -116.766
Base-Backbone interact. energy: -1.123
local terms energy: -135.060729
where:
bonds (distance) C4'-P energy: -27.481
bonds (distance) P-C4' energy: -25.913
flat angles C4'-P-C4' energy: -28.516
flat angles P-C4'-P energy: -18.196
tors. eta vs tors. theta energy: -34.956
Dist. restrs. and SS energy: 0.531 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -409.212169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.212169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.281537 (E_RNA)
where:
Base-Base interactions energy: -269.396
where: short stacking energy: -117.374
Base-Backbone interact. energy: -0.581
local terms energy: -139.304654
where:
bonds (distance) C4'-P energy: -25.260
bonds (distance) P-C4' energy: -26.196
flat angles C4'-P-C4' energy: -31.287
flat angles P-C4'-P energy: -19.296
tors. eta vs tors. theta energy: -37.266
Dist. restrs. and SS energy: 0.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -399.351520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.351520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.653944 (E_RNA)
where:
Base-Base interactions energy: -262.658
where: short stacking energy: -111.459
Base-Backbone interact. energy: -1.485
local terms energy: -135.510418
where:
bonds (distance) C4'-P energy: -28.540
bonds (distance) P-C4' energy: -24.407
flat angles C4'-P-C4' energy: -24.318
flat angles P-C4'-P energy: -23.449
tors. eta vs tors. theta energy: -34.795
Dist. restrs. and SS energy: 0.302 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -395.449227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.449227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.377653 (E_RNA)
where:
Base-Base interactions energy: -272.593
where: short stacking energy: -106.016
Base-Backbone interact. energy: 1.695
local terms energy: -125.479121
where:
bonds (distance) C4'-P energy: -22.416
bonds (distance) P-C4' energy: -31.213
flat angles C4'-P-C4' energy: -27.974
flat angles P-C4'-P energy: -15.767
tors. eta vs tors. theta energy: -28.109
Dist. restrs. and SS energy: 0.928 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -361.053919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.053919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.468206 (E_RNA)
where:
Base-Base interactions energy: -235.397
where: short stacking energy: -96.585
Base-Backbone interact. energy: 0.380
local terms energy: -126.451801
where:
bonds (distance) C4'-P energy: -27.900
bonds (distance) P-C4' energy: -27.844
flat angles C4'-P-C4' energy: -26.241
flat angles P-C4'-P energy: -16.291
tors. eta vs tors. theta energy: -28.176
Dist. restrs. and SS energy: 0.414 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -372.771524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.771524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.936447 (E_RNA)
where:
Base-Base interactions energy: -254.468
where: short stacking energy: -110.242
Base-Backbone interact. energy: -1.630
local terms energy: -116.837982
where:
bonds (distance) C4'-P energy: -20.351
bonds (distance) P-C4' energy: -23.357
flat angles C4'-P-C4' energy: -26.319
flat angles P-C4'-P energy: -17.330
tors. eta vs tors. theta energy: -29.482
Dist. restrs. and SS energy: 0.165 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -343.270577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.270577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.696038 (E_RNA)
where:
Base-Base interactions energy: -226.415
where: short stacking energy: -98.101
Base-Backbone interact. energy: -0.295
local terms energy: -116.986168
where:
bonds (distance) C4'-P energy: -27.841
bonds (distance) P-C4' energy: -24.078
flat angles C4'-P-C4' energy: -25.504
flat angles P-C4'-P energy: -15.019
tors. eta vs tors. theta energy: -24.544
Dist. restrs. and SS energy: 0.425 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -317.149218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.149218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.559097 (E_RNA)
where:
Base-Base interactions energy: -224.162
where: short stacking energy: -82.475
Base-Backbone interact. energy: -0.114
local terms energy: -93.282634
where:
bonds (distance) C4'-P energy: -27.369
bonds (distance) P-C4' energy: -21.879
flat angles C4'-P-C4' energy: -19.438
flat angles P-C4'-P energy: -7.223
tors. eta vs tors. theta energy: -17.374
Dist. restrs. and SS energy: 0.410 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -339.988934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.988934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.271764 (E_RNA)
where:
Base-Base interactions energy: -230.946
where: short stacking energy: -98.763
Base-Backbone interact. energy: -0.726
local terms energy: -108.600218
where:
bonds (distance) C4'-P energy: -20.482
bonds (distance) P-C4' energy: -25.071
flat angles C4'-P-C4' energy: -19.773
flat angles P-C4'-P energy: -16.961
tors. eta vs tors. theta energy: -26.312
Dist. restrs. and SS energy: 0.283 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -299.518910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.518910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.932654 (E_RNA)
where:
Base-Base interactions energy: -196.819
where: short stacking energy: -72.458
Base-Backbone interact. energy: -0.062
local terms energy: -103.051099
where:
bonds (distance) C4'-P energy: -18.557
bonds (distance) P-C4' energy: -24.778
flat angles C4'-P-C4' energy: -21.762
flat angles P-C4'-P energy: -18.999
tors. eta vs tors. theta energy: -18.954
Dist. restrs. and SS energy: 0.414 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -448.413062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.413062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.709638 (E_RNA)
where:
Base-Base interactions energy: -313.802
where: short stacking energy: -112.558
Base-Backbone interact. energy: -0.658
local terms energy: -134.249138
where:
bonds (distance) C4'-P energy: -27.740
bonds (distance) P-C4' energy: -27.483
flat angles C4'-P-C4' energy: -29.748
flat angles P-C4'-P energy: -19.938
tors. eta vs tors. theta energy: -29.340
Dist. restrs. and SS energy: 0.297 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -411.287607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.287607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.463508 (E_RNA)
where:
Base-Base interactions energy: -273.789
where: short stacking energy: -106.801
Base-Backbone interact. energy: -2.337
local terms energy: -135.338134
where:
bonds (distance) C4'-P energy: -24.561
bonds (distance) P-C4' energy: -29.532
flat angles C4'-P-C4' energy: -29.559
flat angles P-C4'-P energy: -20.205
tors. eta vs tors. theta energy: -31.481
Dist. restrs. and SS energy: 0.176 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -388.379821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.379821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.780407 (E_RNA)
where:
Base-Base interactions energy: -261.774
where: short stacking energy: -108.300
Base-Backbone interact. energy: -0.179
local terms energy: -126.827220
where:
bonds (distance) C4'-P energy: -30.729
bonds (distance) P-C4' energy: -21.630
flat angles C4'-P-C4' energy: -31.313
flat angles P-C4'-P energy: -14.769
tors. eta vs tors. theta energy: -28.386
Dist. restrs. and SS energy: 0.401 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -397.565915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.565915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.575880 (E_RNA)
where:
Base-Base interactions energy: -264.000
where: short stacking energy: -101.663
Base-Backbone interact. energy: -0.276
local terms energy: -133.300033
where:
bonds (distance) C4'-P energy: -28.262
bonds (distance) P-C4' energy: -29.408
flat angles C4'-P-C4' energy: -28.576
flat angles P-C4'-P energy: -19.356
tors. eta vs tors. theta energy: -27.698
Dist. restrs. and SS energy: 0.010 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -365.953205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.953205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.081688 (E_RNA)
where:
Base-Base interactions energy: -239.673
where: short stacking energy: -88.558
Base-Backbone interact. energy: -1.646
local terms energy: -124.762301
where:
bonds (distance) C4'-P energy: -28.228
bonds (distance) P-C4' energy: -26.539
flat angles C4'-P-C4' energy: -27.869
flat angles P-C4'-P energy: -16.971
tors. eta vs tors. theta energy: -25.156
Dist. restrs. and SS energy: 0.128 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -375.418099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.418099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.528203 (E_RNA)
where:
Base-Base interactions energy: -262.204
where: short stacking energy: -103.904
Base-Backbone interact. energy: -1.367
local terms energy: -111.956724
where:
bonds (distance) C4'-P energy: -19.542
bonds (distance) P-C4' energy: -27.484
flat angles C4'-P-C4' energy: -23.590
flat angles P-C4'-P energy: -13.814
tors. eta vs tors. theta energy: -27.527
Dist. restrs. and SS energy: 0.110 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -332.528232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.528232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.872187 (E_RNA)
where:
Base-Base interactions energy: -229.669
where: short stacking energy: -90.326
Base-Backbone interact. energy: 0.819
local terms energy: -104.022286
where:
bonds (distance) C4'-P energy: -22.178
bonds (distance) P-C4' energy: -24.946
flat angles C4'-P-C4' energy: -19.379
flat angles P-C4'-P energy: -17.969
tors. eta vs tors. theta energy: -19.550
Dist. restrs. and SS energy: 0.344 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -335.213803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.213803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.439077 (E_RNA)
where:
Base-Base interactions energy: -228.730
where: short stacking energy: -90.034
Base-Backbone interact. energy: -1.143
local terms energy: -105.566902
where:
bonds (distance) C4'-P energy: -24.835
bonds (distance) P-C4' energy: -16.898
flat angles C4'-P-C4' energy: -19.719
flat angles P-C4'-P energy: -18.120
tors. eta vs tors. theta energy: -25.995
Dist. restrs. and SS energy: 0.225 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -323.001567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.001567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.671955 (E_RNA)
where:
Base-Base interactions energy: -207.929
where: short stacking energy: -80.866
Base-Backbone interact. energy: -1.125
local terms energy: -114.618097
where:
bonds (distance) C4'-P energy: -20.048
bonds (distance) P-C4' energy: -24.799
flat angles C4'-P-C4' energy: -25.507
flat angles P-C4'-P energy: -19.498
tors. eta vs tors. theta energy: -24.767
Dist. restrs. and SS energy: 0.670 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -297.306654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.306654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.036674 (E_RNA)
where:
Base-Base interactions energy: -193.123
where: short stacking energy: -72.270
Base-Backbone interact. energy: -0.682
local terms energy: -104.231609
where:
bonds (distance) C4'-P energy: -25.595
bonds (distance) P-C4' energy: -27.527
flat angles C4'-P-C4' energy: -15.879
flat angles P-C4'-P energy: -17.586
tors. eta vs tors. theta energy: -17.644
Dist. restrs. and SS energy: 0.730 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -434.617504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.617504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.698249 (E_RNA)
where:
Base-Base interactions energy: -315.689
where: short stacking energy: -120.189
Base-Backbone interact. energy: -0.877
local terms energy: -118.132852
where:
bonds (distance) C4'-P energy: -22.988
bonds (distance) P-C4' energy: -23.674
flat angles C4'-P-C4' energy: -24.392
flat angles P-C4'-P energy: -13.962
tors. eta vs tors. theta energy: -33.117
Dist. restrs. and SS energy: 0.081 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -410.326236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.326236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.378160 (E_RNA)
where:
Base-Base interactions energy: -276.331
where: short stacking energy: -113.359
Base-Backbone interact. energy: -0.350
local terms energy: -133.696445
where:
bonds (distance) C4'-P energy: -24.004
bonds (distance) P-C4' energy: -29.404
flat angles C4'-P-C4' energy: -31.086
flat angles P-C4'-P energy: -17.521
tors. eta vs tors. theta energy: -31.681
Dist. restrs. and SS energy: 0.052 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -403.582579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.582579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.027097 (E_RNA)
where:
Base-Base interactions energy: -282.089
where: short stacking energy: -121.375
Base-Backbone interact. energy: -0.940
local terms energy: -120.998513
where:
bonds (distance) C4'-P energy: -27.814
bonds (distance) P-C4' energy: -29.250
flat angles C4'-P-C4' energy: -24.120
flat angles P-C4'-P energy: -10.804
tors. eta vs tors. theta energy: -29.010
Dist. restrs. and SS energy: 0.445 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -380.871621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.871621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.932394 (E_RNA)
where:
Base-Base interactions energy: -262.268
where: short stacking energy: -106.072
Base-Backbone interact. energy: -1.304
local terms energy: -117.360797
where:
bonds (distance) C4'-P energy: -18.704
bonds (distance) P-C4' energy: -31.232
flat angles C4'-P-C4' energy: -24.347
flat angles P-C4'-P energy: -13.959
tors. eta vs tors. theta energy: -29.120
Dist. restrs. and SS energy: 0.061 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -373.758696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.758696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.839474 (E_RNA)
where:
Base-Base interactions energy: -254.710
where: short stacking energy: -103.207
Base-Backbone interact. energy: 0.090
local terms energy: -119.219508
where:
bonds (distance) C4'-P energy: -24.073
bonds (distance) P-C4' energy: -24.605
flat angles C4'-P-C4' energy: -24.357
flat angles P-C4'-P energy: -16.652
tors. eta vs tors. theta energy: -29.533
Dist. restrs. and SS energy: 0.081 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -348.083857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.083857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.332256 (E_RNA)
where:
Base-Base interactions energy: -234.054
where: short stacking energy: -97.108
Base-Backbone interact. energy: 0.576
local terms energy: -114.854267
where:
bonds (distance) C4'-P energy: -23.803
bonds (distance) P-C4' energy: -22.934
flat angles C4'-P-C4' energy: -24.961
flat angles P-C4'-P energy: -20.109
tors. eta vs tors. theta energy: -23.048
Dist. restrs. and SS energy: 0.248 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -373.006531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.006531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.536700 (E_RNA)
where:
Base-Base interactions energy: -247.208
where: short stacking energy: -94.418
Base-Backbone interact. energy: -0.244
local terms energy: -126.085059
where:
bonds (distance) C4'-P energy: -24.404
bonds (distance) P-C4' energy: -30.133
flat angles C4'-P-C4' energy: -22.710
flat angles P-C4'-P energy: -17.553
tors. eta vs tors. theta energy: -31.285
Dist. restrs. and SS energy: 0.530 (S_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: 461
Temperature: 1.250000
Total energy: -328.309560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.309560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.621952 (E_RNA)
where:
Base-Base interactions energy: -224.203
where: short stacking energy: -85.785
Base-Backbone interact. energy: 2.397
local terms energy: -106.816374
where:
bonds (distance) C4'-P energy: -23.573
bonds (distance) P-C4' energy: -21.248
flat angles C4'-P-C4' energy: -22.915
flat angles P-C4'-P energy: -17.809
tors. eta vs tors. theta energy: -21.270
Dist. restrs. and SS energy: 0.312 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -326.665101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.665101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.188676 (E_RNA)
where:
Base-Base interactions energy: -218.518
where: short stacking energy: -92.050
Base-Backbone interact. energy: 1.293
local terms energy: -109.963639
where:
bonds (distance) C4'-P energy: -16.922
bonds (distance) P-C4' energy: -21.470
flat angles C4'-P-C4' energy: -27.321
flat angles P-C4'-P energy: -18.045
tors. eta vs tors. theta energy: -26.206
Dist. restrs. and SS energy: 0.524 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -317.160824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.160824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.811286 (E_RNA)
where:
Base-Base interactions energy: -211.906
where: short stacking energy: -78.802
Base-Backbone interact. energy: -0.223
local terms energy: -105.681634
where:
bonds (distance) C4'-P energy: -18.162
bonds (distance) P-C4' energy: -30.609
flat angles C4'-P-C4' energy: -23.109
flat angles P-C4'-P energy: -15.524
tors. eta vs tors. theta energy: -18.277
Dist. restrs. and SS energy: 0.650 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -441.144775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.144775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.187257 (E_RNA)
where:
Base-Base interactions energy: -310.061
where: short stacking energy: -113.123
Base-Backbone interact. energy: -0.614
local terms energy: -130.512283
where:
bonds (distance) C4'-P energy: -26.949
bonds (distance) P-C4' energy: -27.156
flat angles C4'-P-C4' energy: -29.782
flat angles P-C4'-P energy: -19.300
tors. eta vs tors. theta energy: -27.325
Dist. restrs. and SS energy: 0.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -413.848124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.848124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.000402 (E_RNA)
where:
Base-Base interactions energy: -279.859
where: short stacking energy: -119.936
Base-Backbone interact. energy: -0.582
local terms energy: -133.560079
where:
bonds (distance) C4'-P energy: -24.875
bonds (distance) P-C4' energy: -28.054
flat angles C4'-P-C4' energy: -29.973
flat angles P-C4'-P energy: -20.457
tors. eta vs tors. theta energy: -30.202
Dist. restrs. and SS energy: 0.152 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -402.878323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.878323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.010499 (E_RNA)
where:
Base-Base interactions energy: -279.167
where: short stacking energy: -110.749
Base-Backbone interact. energy: -0.728
local terms energy: -123.114791
where:
bonds (distance) C4'-P energy: -26.722
bonds (distance) P-C4' energy: -27.143
flat angles C4'-P-C4' energy: -27.177
flat angles P-C4'-P energy: -9.978
tors. eta vs tors. theta energy: -32.095
Dist. restrs. and SS energy: 0.132 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -384.574811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.574811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.674982 (E_RNA)
where:
Base-Base interactions energy: -252.547
where: short stacking energy: -107.187
Base-Backbone interact. energy: -0.465
local terms energy: -131.662910
where:
bonds (distance) C4'-P energy: -31.843
bonds (distance) P-C4' energy: -22.593
flat angles C4'-P-C4' energy: -29.353
flat angles P-C4'-P energy: -14.904
tors. eta vs tors. theta energy: -32.969
Dist. restrs. and SS energy: 0.100 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -358.825596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.825596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.999967 (E_RNA)
where:
Base-Base interactions energy: -241.907
where: short stacking energy: -99.232
Base-Backbone interact. energy: -0.167
local terms energy: -116.925882
where:
bonds (distance) C4'-P energy: -28.926
bonds (distance) P-C4' energy: -24.462
flat angles C4'-P-C4' energy: -27.253
flat angles P-C4'-P energy: -12.861
tors. eta vs tors. theta energy: -23.424
Dist. restrs. and SS energy: 0.174 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -357.678599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.678599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.100646 (E_RNA)
where:
Base-Base interactions energy: -230.729
where: short stacking energy: -93.327
Base-Backbone interact. energy: -0.307
local terms energy: -127.064503
where:
bonds (distance) C4'-P energy: -27.728
bonds (distance) P-C4' energy: -23.649
flat angles C4'-P-C4' energy: -31.271
flat angles P-C4'-P energy: -17.737
tors. eta vs tors. theta energy: -26.679
Dist. restrs. and SS energy: 0.422 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -344.995455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.995455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.739833 (E_RNA)
where:
Base-Base interactions energy: -234.604
where: short stacking energy: -93.877
Base-Backbone interact. energy: 0.673
local terms energy: -111.808575
where:
bonds (distance) C4'-P energy: -17.865
bonds (distance) P-C4' energy: -27.527
flat angles C4'-P-C4' energy: -25.184
flat angles P-C4'-P energy: -14.084
tors. eta vs tors. theta energy: -27.149
Dist. restrs. and SS energy: 0.744 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -348.752610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.752610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.456760 (E_RNA)
where:
Base-Base interactions energy: -241.596
where: short stacking energy: -104.125
Base-Backbone interact. energy: 0.759
local terms energy: -108.619710
where:
bonds (distance) C4'-P energy: -17.364
bonds (distance) P-C4' energy: -31.306
flat angles C4'-P-C4' energy: -21.537
flat angles P-C4'-P energy: -11.528
tors. eta vs tors. theta energy: -26.884
Dist. restrs. and SS energy: 0.704 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -334.593853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.593853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.722653 (E_RNA)
where:
Base-Base interactions energy: -230.149
where: short stacking energy: -84.974
Base-Backbone interact. energy: 2.774
local terms energy: -107.347739
where:
bonds (distance) C4'-P energy: -23.012
bonds (distance) P-C4' energy: -22.004
flat angles C4'-P-C4' energy: -23.293
flat angles P-C4'-P energy: -15.130
tors. eta vs tors. theta energy: -23.909
Dist. restrs. and SS energy: 0.129 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -309.312729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.312729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.229489 (E_RNA)
where:
Base-Base interactions energy: -200.520
where: short stacking energy: -73.836
Base-Backbone interact. energy: -0.467
local terms energy: -109.242572
where:
bonds (distance) C4'-P energy: -25.648
bonds (distance) P-C4' energy: -24.144
flat angles C4'-P-C4' energy: -25.661
flat angles P-C4'-P energy: -15.362
tors. eta vs tors. theta energy: -18.427
Dist. restrs. and SS energy: 0.917 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -444.802764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.802764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.082286 (E_RNA)
where:
Base-Base interactions energy: -318.234
where: short stacking energy: -112.080
Base-Backbone interact. energy: 0.362
local terms energy: -127.209852
where:
bonds (distance) C4'-P energy: -31.337
bonds (distance) P-C4' energy: -25.533
flat angles C4'-P-C4' energy: -21.975
flat angles P-C4'-P energy: -13.789
tors. eta vs tors. theta energy: -34.576
Dist. restrs. and SS energy: 0.280 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -410.830634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.830634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.879842 (E_RNA)
where:
Base-Base interactions energy: -283.682
where: short stacking energy: -117.850
Base-Backbone interact. energy: 0.304
local terms energy: -127.501740
where:
bonds (distance) C4'-P energy: -25.426
bonds (distance) P-C4' energy: -26.941
flat angles C4'-P-C4' energy: -30.069
flat angles P-C4'-P energy: -9.936
tors. eta vs tors. theta energy: -35.130
Dist. restrs. and SS energy: 0.049 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -392.584269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.584269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.620323 (E_RNA)
where:
Base-Base interactions energy: -271.932
where: short stacking energy: -111.040
Base-Backbone interact. energy: -0.549
local terms energy: -120.139237
where:
bonds (distance) C4'-P energy: -24.639
bonds (distance) P-C4' energy: -23.861
flat angles C4'-P-C4' energy: -28.519
flat angles P-C4'-P energy: -12.531
tors. eta vs tors. theta energy: -30.588
Dist. restrs. and SS energy: 0.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -386.794816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.794816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.860478 (E_RNA)
where:
Base-Base interactions energy: -267.472
where: short stacking energy: -108.350
Base-Backbone interact. energy: -0.134
local terms energy: -119.255092
where:
bonds (distance) C4'-P energy: -16.434
bonds (distance) P-C4' energy: -25.524
flat angles C4'-P-C4' energy: -30.390
flat angles P-C4'-P energy: -15.969
tors. eta vs tors. theta energy: -30.938
Dist. restrs. and SS energy: 0.066 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -373.059628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.059628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.396414 (E_RNA)
where:
Base-Base interactions energy: -250.010
where: short stacking energy: -109.501
Base-Backbone interact. energy: -0.298
local terms energy: -123.088844
where:
bonds (distance) C4'-P energy: -21.277
bonds (distance) P-C4' energy: -25.649
flat angles C4'-P-C4' energy: -26.413
flat angles P-C4'-P energy: -21.345
tors. eta vs tors. theta energy: -28.405
Dist. restrs. and SS energy: 0.337 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -364.969485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.969485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.351671 (E_RNA)
where:
Base-Base interactions energy: -239.703
where: short stacking energy: -86.460
Base-Backbone interact. energy: -0.349
local terms energy: -125.299763
where:
bonds (distance) C4'-P energy: -27.699
bonds (distance) P-C4' energy: -24.034
flat angles C4'-P-C4' energy: -24.835
flat angles P-C4'-P energy: -23.238
tors. eta vs tors. theta energy: -25.495
Dist. restrs. and SS energy: 0.382 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -337.692983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.692983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.917603 (E_RNA)
where:
Base-Base interactions energy: -218.684
where: short stacking energy: -81.674
Base-Backbone interact. energy: -0.112
local terms energy: -119.122312
where:
bonds (distance) C4'-P energy: -21.057
bonds (distance) P-C4' energy: -29.743
flat angles C4'-P-C4' energy: -27.736
flat angles P-C4'-P energy: -14.055
tors. eta vs tors. theta energy: -26.531
Dist. restrs. and SS energy: 0.225 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -350.639969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.639969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.777553 (E_RNA)
where:
Base-Base interactions energy: -239.844
where: short stacking energy: -94.286
Base-Backbone interact. energy: 0.469
local terms energy: -111.403143
where:
bonds (distance) C4'-P energy: -21.418
bonds (distance) P-C4' energy: -24.690
flat angles C4'-P-C4' energy: -27.094
flat angles P-C4'-P energy: -13.626
tors. eta vs tors. theta energy: -24.576
Dist. restrs. and SS energy: 0.138 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -328.996205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.996205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.137004 (E_RNA)
where:
Base-Base interactions energy: -220.201
where: short stacking energy: -88.723
Base-Backbone interact. energy: -0.691
local terms energy: -108.245396
where:
bonds (distance) C4'-P energy: -22.076
bonds (distance) P-C4' energy: -23.918
flat angles C4'-P-C4' energy: -26.370
flat angles P-C4'-P energy: -13.382
tors. eta vs tors. theta energy: -22.499
Dist. restrs. and SS energy: 0.141 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -341.808952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.808952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.244762 (E_RNA)
where:
Base-Base interactions energy: -233.476
where: short stacking energy: -92.629
Base-Backbone interact. energy: 4.566
local terms energy: -113.334832
where:
bonds (distance) C4'-P energy: -20.120
bonds (distance) P-C4' energy: -25.469
flat angles C4'-P-C4' energy: -25.804
flat angles P-C4'-P energy: -18.923
tors. eta vs tors. theta energy: -23.019
Dist. restrs. and SS energy: 0.436 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -419.085231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.085231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.128339 (E_RNA)
where:
Base-Base interactions energy: -278.649
where: short stacking energy: -113.755
Base-Backbone interact. energy: -1.409
local terms energy: -139.070380
where:
bonds (distance) C4'-P energy: -25.443
bonds (distance) P-C4' energy: -27.322
flat angles C4'-P-C4' energy: -29.068
flat angles P-C4'-P energy: -22.277
tors. eta vs tors. theta energy: -34.960
Dist. restrs. and SS energy: 0.043 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -440.618199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.618199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.726836 (E_RNA)
where:
Base-Base interactions energy: -310.932
where: short stacking energy: -98.914
Base-Backbone interact. energy: -0.168
local terms energy: -129.626895
where:
bonds (distance) C4'-P energy: -27.153
bonds (distance) P-C4' energy: -26.626
flat angles C4'-P-C4' energy: -25.473
flat angles P-C4'-P energy: -19.146
tors. eta vs tors. theta energy: -31.229
Dist. restrs. and SS energy: 0.109 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -394.314376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.314376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.497094 (E_RNA)
where:
Base-Base interactions energy: -271.027
where: short stacking energy: -110.101
Base-Backbone interact. energy: -0.317
local terms energy: -123.153738
where:
bonds (distance) C4'-P energy: -26.692
bonds (distance) P-C4' energy: -26.999
flat angles C4'-P-C4' energy: -25.827
flat angles P-C4'-P energy: -20.633
tors. eta vs tors. theta energy: -23.003
Dist. restrs. and SS energy: 0.183 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -383.462318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.462318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.634645 (E_RNA)
where:
Base-Base interactions energy: -261.506
where: short stacking energy: -103.377
Base-Backbone interact. energy: 0.241
local terms energy: -122.369219
where:
bonds (distance) C4'-P energy: -31.459
bonds (distance) P-C4' energy: -28.062
flat angles C4'-P-C4' energy: -23.745
flat angles P-C4'-P energy: -9.466
tors. eta vs tors. theta energy: -29.637
Dist. restrs. and SS energy: 0.172 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -383.888292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.888292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.240903 (E_RNA)
where:
Base-Base interactions energy: -266.380
where: short stacking energy: -95.002
Base-Backbone interact. energy: -0.373
local terms energy: -117.487358
where:
bonds (distance) C4'-P energy: -28.564
bonds (distance) P-C4' energy: -30.087
flat angles C4'-P-C4' energy: -19.548
flat angles P-C4'-P energy: -14.012
tors. eta vs tors. theta energy: -25.276
Dist. restrs. and SS energy: 0.353 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -353.871935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.871935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.025000 (E_RNA)
where:
Base-Base interactions energy: -236.168
where: short stacking energy: -98.995
Base-Backbone interact. energy: -0.042
local terms energy: -117.814610
where:
bonds (distance) C4'-P energy: -26.662
bonds (distance) P-C4' energy: -22.679
flat angles C4'-P-C4' energy: -27.060
flat angles P-C4'-P energy: -17.091
tors. eta vs tors. theta energy: -24.322
Dist. restrs. and SS energy: 0.153 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -370.971311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.971311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.582852 (E_RNA)
where:
Base-Base interactions energy: -248.188
where: short stacking energy: -107.615
Base-Backbone interact. energy: -0.548
local terms energy: -122.846854
where:
bonds (distance) C4'-P energy: -19.939
bonds (distance) P-C4' energy: -26.075
flat angles C4'-P-C4' energy: -28.931
flat angles P-C4'-P energy: -19.553
tors. eta vs tors. theta energy: -28.349
Dist. restrs. and SS energy: 0.612 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -341.355877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.355877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.639207 (E_RNA)
where:
Base-Base interactions energy: -229.957
where: short stacking energy: -91.497
Base-Backbone interact. energy: -0.380
local terms energy: -111.301471
where:
bonds (distance) C4'-P energy: -22.928
bonds (distance) P-C4' energy: -22.340
flat angles C4'-P-C4' energy: -22.810
flat angles P-C4'-P energy: -15.758
tors. eta vs tors. theta energy: -27.466
Dist. restrs. and SS energy: 0.283 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -322.705584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.705584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.039133 (E_RNA)
where:
Base-Base interactions energy: -214.061
where: short stacking energy: -86.835
Base-Backbone interact. energy: 3.007
local terms energy: -111.985691
where:
bonds (distance) C4'-P energy: -28.221
bonds (distance) P-C4' energy: -25.047
flat angles C4'-P-C4' energy: -29.129
flat angles P-C4'-P energy: -12.957
tors. eta vs tors. theta energy: -16.632
Dist. restrs. and SS energy: 0.334 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -320.648341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.648341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.951812 (E_RNA)
where:
Base-Base interactions energy: -225.976
where: short stacking energy: -83.686
Base-Backbone interact. energy: 0.451
local terms energy: -95.426460
where:
bonds (distance) C4'-P energy: -27.889
bonds (distance) P-C4' energy: -19.033
flat angles C4'-P-C4' energy: -21.636
flat angles P-C4'-P energy: -6.461
tors. eta vs tors. theta energy: -20.408
Dist. restrs. and SS energy: 0.303 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -427.436168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.436168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.436168 (E_RNA)
where:
Base-Base interactions energy: -279.556
where: short stacking energy: -118.146
Base-Backbone interact. energy: -2.333
local terms energy: -145.546918
where:
bonds (distance) C4'-P energy: -29.227
bonds (distance) P-C4' energy: -28.311
flat angles C4'-P-C4' energy: -31.132
flat angles P-C4'-P energy: -19.851
tors. eta vs tors. theta energy: -37.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -431.791246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.791246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.541173 (E_RNA)
where:
Base-Base interactions energy: -301.270
where: short stacking energy: -107.259
Base-Backbone interact. energy: 0.494
local terms energy: -131.764854
where:
bonds (distance) C4'-P energy: -24.518
bonds (distance) P-C4' energy: -25.931
flat angles C4'-P-C4' energy: -31.304
flat angles P-C4'-P energy: -17.867
tors. eta vs tors. theta energy: -32.145
Dist. restrs. and SS energy: 0.750 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -398.856943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.856943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.415846 (E_RNA)
where:
Base-Base interactions energy: -266.741
where: short stacking energy: -108.773
Base-Backbone interact. energy: -0.239
local terms energy: -132.436381
where:
bonds (distance) C4'-P energy: -28.520
bonds (distance) P-C4' energy: -28.132
flat angles C4'-P-C4' energy: -27.801
flat angles P-C4'-P energy: -13.428
tors. eta vs tors. theta energy: -34.557
Dist. restrs. and SS energy: 0.559 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -379.308415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.308415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.386348 (E_RNA)
where:
Base-Base interactions energy: -252.571
where: short stacking energy: -99.889
Base-Backbone interact. energy: -0.846
local terms energy: -125.969601
where:
bonds (distance) C4'-P energy: -22.773
bonds (distance) P-C4' energy: -28.332
flat angles C4'-P-C4' energy: -26.903
flat angles P-C4'-P energy: -18.834
tors. eta vs tors. theta energy: -29.129
Dist. restrs. and SS energy: 0.078 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -389.058327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.058327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.510047 (E_RNA)
where:
Base-Base interactions energy: -258.314
where: short stacking energy: -103.872
Base-Backbone interact. energy: -1.455
local terms energy: -129.741457
where:
bonds (distance) C4'-P energy: -25.555
bonds (distance) P-C4' energy: -24.652
flat angles C4'-P-C4' energy: -32.520
flat angles P-C4'-P energy: -16.407
tors. eta vs tors. theta energy: -30.607
Dist. restrs. and SS energy: 0.452 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -379.422417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.422417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.523299 (E_RNA)
where:
Base-Base interactions energy: -258.810
where: short stacking energy: -95.561
Base-Backbone interact. energy: -1.010
local terms energy: -119.703827
where:
bonds (distance) C4'-P energy: -24.147
bonds (distance) P-C4' energy: -24.298
flat angles C4'-P-C4' energy: -22.174
flat angles P-C4'-P energy: -17.531
tors. eta vs tors. theta energy: -31.555
Dist. restrs. and SS energy: 0.101 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -359.063171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.063171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.293638 (E_RNA)
where:
Base-Base interactions energy: -241.147
where: short stacking energy: -90.707
Base-Backbone interact. energy: -1.107
local terms energy: -117.039285
where:
bonds (distance) C4'-P energy: -21.124
bonds (distance) P-C4' energy: -26.159
flat angles C4'-P-C4' energy: -32.399
flat angles P-C4'-P energy: -10.564
tors. eta vs tors. theta energy: -26.793
Dist. restrs. and SS energy: 0.230 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -340.018255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.018255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.169761 (E_RNA)
where:
Base-Base interactions energy: -227.857
where: short stacking energy: -87.430
Base-Backbone interact. energy: -0.259
local terms energy: -112.052939
where:
bonds (distance) C4'-P energy: -23.744
bonds (distance) P-C4' energy: -15.733
flat angles C4'-P-C4' energy: -27.377
flat angles P-C4'-P energy: -20.673
tors. eta vs tors. theta energy: -24.525
Dist. restrs. and SS energy: 0.152 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -324.473442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.473442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.520287 (E_RNA)
where:
Base-Base interactions energy: -214.374
where: short stacking energy: -77.168
Base-Backbone interact. energy: -1.328
local terms energy: -108.819046
where:
bonds (distance) C4'-P energy: -24.341
bonds (distance) P-C4' energy: -19.522
flat angles C4'-P-C4' energy: -25.055
flat angles P-C4'-P energy: -17.528
tors. eta vs tors. theta energy: -22.374
Dist. restrs. and SS energy: 0.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -309.399703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.399703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.969621 (E_RNA)
where:
Base-Base interactions energy: -208.687
where: short stacking energy: -85.450
Base-Backbone interact. energy: -0.179
local terms energy: -101.103180
where:
bonds (distance) C4'-P energy: -22.082
bonds (distance) P-C4' energy: -16.202
flat angles C4'-P-C4' energy: -23.463
flat angles P-C4'-P energy: -18.940
tors. eta vs tors. theta energy: -20.417
Dist. restrs. and SS energy: 0.570 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -438.840603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.840603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.369307 (E_RNA)
where:
Base-Base interactions energy: -307.359
where: short stacking energy: -119.248
Base-Backbone interact. energy: -0.864
local terms energy: -131.145712
where:
bonds (distance) C4'-P energy: -25.671
bonds (distance) P-C4' energy: -27.884
flat angles C4'-P-C4' energy: -28.058
flat angles P-C4'-P energy: -15.458
tors. eta vs tors. theta energy: -34.075
Dist. restrs. and SS energy: 0.529 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -415.101745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.101745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.342094 (E_RNA)
where:
Base-Base interactions energy: -268.839
where: short stacking energy: -116.573
Base-Backbone interact. energy: -0.333
local terms energy: -146.169619
where:
bonds (distance) C4'-P energy: -27.823
bonds (distance) P-C4' energy: -27.831
flat angles C4'-P-C4' energy: -30.485
flat angles P-C4'-P energy: -24.577
tors. eta vs tors. theta energy: -35.454
Dist. restrs. and SS energy: 0.240 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -395.474878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.474878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.766902 (E_RNA)
where:
Base-Base interactions energy: -257.605
where: short stacking energy: -108.198
Base-Backbone interact. energy: -0.452
local terms energy: -137.709675
where:
bonds (distance) C4'-P energy: -26.909
bonds (distance) P-C4' energy: -30.909
flat angles C4'-P-C4' energy: -25.141
flat angles P-C4'-P energy: -23.054
tors. eta vs tors. theta energy: -31.696
Dist. restrs. and SS energy: 0.292 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -390.114783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.114783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.188160 (E_RNA)
where:
Base-Base interactions energy: -261.658
where: short stacking energy: -103.217
Base-Backbone interact. energy: -0.300
local terms energy: -128.229321
where:
bonds (distance) C4'-P energy: -25.957
bonds (distance) P-C4' energy: -24.101
flat angles C4'-P-C4' energy: -30.393
flat angles P-C4'-P energy: -20.196
tors. eta vs tors. theta energy: -27.583
Dist. restrs. and SS energy: 0.073 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -391.614644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.614644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.585729 (E_RNA)
where:
Base-Base interactions energy: -260.326
where: short stacking energy: -98.794
Base-Backbone interact. energy: -0.438
local terms energy: -131.821898
where:
bonds (distance) C4'-P energy: -28.158
bonds (distance) P-C4' energy: -28.957
flat angles C4'-P-C4' energy: -29.003
flat angles P-C4'-P energy: -14.846
tors. eta vs tors. theta energy: -30.859
Dist. restrs. and SS energy: 0.971 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -380.983590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.983590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.345002 (E_RNA)
where:
Base-Base interactions energy: -256.868
where: short stacking energy: -95.944
Base-Backbone interact. energy: -2.895
local terms energy: -121.582585
where:
bonds (distance) C4'-P energy: -24.928
bonds (distance) P-C4' energy: -23.947
flat angles C4'-P-C4' energy: -27.921
flat angles P-C4'-P energy: -12.912
tors. eta vs tors. theta energy: -31.874
Dist. restrs. and SS energy: 0.361 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -342.740501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.740501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.207418 (E_RNA)
where:
Base-Base interactions energy: -235.160
where: short stacking energy: -90.064
Base-Backbone interact. energy: -0.257
local terms energy: -107.789580
where:
bonds (distance) C4'-P energy: -21.163
bonds (distance) P-C4' energy: -25.111
flat angles C4'-P-C4' energy: -22.347
flat angles P-C4'-P energy: -15.831
tors. eta vs tors. theta energy: -23.339
Dist. restrs. and SS energy: 0.467 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -337.304794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.304794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.437377 (E_RNA)
where:
Base-Base interactions energy: -215.424
where: short stacking energy: -84.080
Base-Backbone interact. energy: -0.269
local terms energy: -121.744504
where:
bonds (distance) C4'-P energy: -23.525
bonds (distance) P-C4' energy: -27.646
flat angles C4'-P-C4' energy: -29.065
flat angles P-C4'-P energy: -19.885
tors. eta vs tors. theta energy: -21.623
Dist. restrs. and SS energy: 0.133 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -330.365714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.365714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.964520 (E_RNA)
where:
Base-Base interactions energy: -223.231
where: short stacking energy: -89.324
Base-Backbone interact. energy: 0.735
local terms energy: -108.467862
where:
bonds (distance) C4'-P energy: -24.456
bonds (distance) P-C4' energy: -21.346
flat angles C4'-P-C4' energy: -29.983
flat angles P-C4'-P energy: -10.743
tors. eta vs tors. theta energy: -21.940
Dist. restrs. and SS energy: 0.599 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -315.587879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.587879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.187624 (E_RNA)
where:
Base-Base interactions energy: -208.726
where: short stacking energy: -90.143
Base-Backbone interact. energy: -0.438
local terms energy: -107.023604
where:
bonds (distance) C4'-P energy: -18.357
bonds (distance) P-C4' energy: -21.901
flat angles C4'-P-C4' energy: -23.829
flat angles P-C4'-P energy: -19.002
tors. eta vs tors. theta energy: -23.936
Dist. restrs. and SS energy: 0.600 (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: 4
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -440.138123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.138123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.229130 (E_RNA)
where:
Base-Base interactions energy: -305.658
where: short stacking energy: -121.160
Base-Backbone interact. energy: -0.742
local terms energy: -133.828537
where:
bonds (distance) C4'-P energy: -23.405
bonds (distance) P-C4' energy: -28.892
flat angles C4'-P-C4' energy: -30.270
flat angles P-C4'-P energy: -19.513
tors. eta vs tors. theta energy: -31.749
Dist. restrs. and SS energy: 0.091 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -399.315251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.315251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.839389 (E_RNA)
where:
Base-Base interactions energy: -269.190
where: short stacking energy: -121.023
Base-Backbone interact. energy: -0.223
local terms energy: -130.426639
where:
bonds (distance) C4'-P energy: -22.810
bonds (distance) P-C4' energy: -27.677
flat angles C4'-P-C4' energy: -29.480
flat angles P-C4'-P energy: -17.072
tors. eta vs tors. theta energy: -33.387
Dist. restrs. and SS energy: 0.524 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -397.873835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.873835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.902859 (E_RNA)
where:
Base-Base interactions energy: -270.945
where: short stacking energy: -104.970
Base-Backbone interact. energy: -0.780
local terms energy: -126.177564
where:
bonds (distance) C4'-P energy: -26.862
bonds (distance) P-C4' energy: -28.939
flat angles C4'-P-C4' energy: -27.591
flat angles P-C4'-P energy: -14.415
tors. eta vs tors. theta energy: -28.370
Dist. restrs. and SS energy: 0.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -403.473298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.473298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.714247 (E_RNA)
where:
Base-Base interactions energy: -275.654
where: short stacking energy: -110.013
Base-Backbone interact. energy: 0.676
local terms energy: -128.736358
where:
bonds (distance) C4'-P energy: -20.909
bonds (distance) P-C4' energy: -25.597
flat angles C4'-P-C4' energy: -31.069
flat angles P-C4'-P energy: -17.928
tors. eta vs tors. theta energy: -33.234
Dist. restrs. and SS energy: 0.241 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -387.331927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.331927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.506985 (E_RNA)
where:
Base-Base interactions energy: -268.784
where: short stacking energy: -102.751
Base-Backbone interact. energy: -0.243
local terms energy: -118.479858
where:
bonds (distance) C4'-P energy: -27.781
bonds (distance) P-C4' energy: -20.456
flat angles C4'-P-C4' energy: -23.774
flat angles P-C4'-P energy: -18.749
tors. eta vs tors. theta energy: -27.720
Dist. restrs. and SS energy: 0.175 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -348.109062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.109062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.531818 (E_RNA)
where:
Base-Base interactions energy: -221.740
where: short stacking energy: -85.981
Base-Backbone interact. energy: -2.204
local terms energy: -124.588220
where:
bonds (distance) C4'-P energy: -30.846
bonds (distance) P-C4' energy: -27.462
flat angles C4'-P-C4' energy: -26.207
flat angles P-C4'-P energy: -18.471
tors. eta vs tors. theta energy: -21.603
Dist. restrs. and SS energy: 0.423 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -346.045138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.045138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.961626 (E_RNA)
where:
Base-Base interactions energy: -237.213
where: short stacking energy: -105.050
Base-Backbone interact. energy: 0.337
local terms energy: -110.086524
where:
bonds (distance) C4'-P energy: -19.723
bonds (distance) P-C4' energy: -21.044
flat angles C4'-P-C4' energy: -28.726
flat angles P-C4'-P energy: -13.690
tors. eta vs tors. theta energy: -26.903
Dist. restrs. and SS energy: 0.916 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -343.481624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.481624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.934865 (E_RNA)
where:
Base-Base interactions energy: -233.597
where: short stacking energy: -94.075
Base-Backbone interact. energy: -0.227
local terms energy: -110.111053
where:
bonds (distance) C4'-P energy: -26.580
bonds (distance) P-C4' energy: -22.929
flat angles C4'-P-C4' energy: -26.229
flat angles P-C4'-P energy: -7.061
tors. eta vs tors. theta energy: -27.312
Dist. restrs. and SS energy: 0.453 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -339.612817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.612817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.887866 (E_RNA)
where:
Base-Base interactions energy: -230.650
where: short stacking energy: -93.485
Base-Backbone interact. energy: -0.367
local terms energy: -108.871607
where:
bonds (distance) C4'-P energy: -22.807
bonds (distance) P-C4' energy: -23.888
flat angles C4'-P-C4' energy: -27.157
flat angles P-C4'-P energy: -9.251
tors. eta vs tors. theta energy: -25.769
Dist. restrs. and SS energy: 0.275 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -326.458046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.458046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.478062 (E_RNA)
where:
Base-Base interactions energy: -225.402
where: short stacking energy: -82.698
Base-Backbone interact. energy: 0.008
local terms energy: -101.084135
where:
bonds (distance) C4'-P energy: -15.240
bonds (distance) P-C4' energy: -29.423
flat angles C4'-P-C4' energy: -23.342
flat angles P-C4'-P energy: -14.111
tors. eta vs tors. theta energy: -18.968
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -440.893136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.893136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.199434 (E_RNA)
where:
Base-Base interactions energy: -302.404
where: short stacking energy: -114.709
Base-Backbone interact. energy: -0.340
local terms energy: -138.456072
where:
bonds (distance) C4'-P energy: -27.057
bonds (distance) P-C4' energy: -29.929
flat angles C4'-P-C4' energy: -28.132
flat angles P-C4'-P energy: -20.349
tors. eta vs tors. theta energy: -32.990
Dist. restrs. and SS energy: 0.306 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -416.439435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.439435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.585126 (E_RNA)
where:
Base-Base interactions energy: -285.873
where: short stacking energy: -119.703
Base-Backbone interact. energy: -0.268
local terms energy: -130.443935
where:
bonds (distance) C4'-P energy: -25.881
bonds (distance) P-C4' energy: -24.198
flat angles C4'-P-C4' energy: -30.308
flat angles P-C4'-P energy: -15.021
tors. eta vs tors. theta energy: -35.036
Dist. restrs. and SS energy: 0.146 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -402.120332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.120332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.277667 (E_RNA)
where:
Base-Base interactions energy: -278.420
where: short stacking energy: -106.471
Base-Backbone interact. energy: -0.264
local terms energy: -123.593959
where:
bonds (distance) C4'-P energy: -24.658
bonds (distance) P-C4' energy: -24.540
flat angles C4'-P-C4' energy: -31.548
flat angles P-C4'-P energy: -14.579
tors. eta vs tors. theta energy: -28.269
Dist. restrs. and SS energy: 0.157 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -392.451276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.451276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.589593 (E_RNA)
where:
Base-Base interactions energy: -267.177
where: short stacking energy: -120.417
Base-Backbone interact. energy: 0.446
local terms energy: -125.858728
where:
bonds (distance) C4'-P energy: -26.141
bonds (distance) P-C4' energy: -26.407
flat angles C4'-P-C4' energy: -29.866
flat angles P-C4'-P energy: -11.864
tors. eta vs tors. theta energy: -31.581
Dist. restrs. and SS energy: 0.138 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -376.528380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.528380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.831039 (E_RNA)
where:
Base-Base interactions energy: -256.916
where: short stacking energy: -103.454
Base-Backbone interact. energy: -0.604
local terms energy: -119.311235
where:
bonds (distance) C4'-P energy: -23.639
bonds (distance) P-C4' energy: -25.839
flat angles C4'-P-C4' energy: -27.968
flat angles P-C4'-P energy: -13.391
tors. eta vs tors. theta energy: -28.474
Dist. restrs. and SS energy: 0.303 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -345.591852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.591852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.771805 (E_RNA)
where:
Base-Base interactions energy: -230.801
where: short stacking energy: -93.085
Base-Backbone interact. energy: -0.319
local terms energy: -114.651571
where:
bonds (distance) C4'-P energy: -22.314
bonds (distance) P-C4' energy: -27.281
flat angles C4'-P-C4' energy: -25.676
flat angles P-C4'-P energy: -16.613
tors. eta vs tors. theta energy: -22.768
Dist. restrs. and SS energy: 0.180 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -339.203028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.203028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.599639 (E_RNA)
where:
Base-Base interactions energy: -224.230
where: short stacking energy: -85.618
Base-Backbone interact. energy: -0.147
local terms energy: -115.222557
where:
bonds (distance) C4'-P energy: -26.288
bonds (distance) P-C4' energy: -26.415
flat angles C4'-P-C4' energy: -25.251
flat angles P-C4'-P energy: -14.243
tors. eta vs tors. theta energy: -23.026
Dist. restrs. and SS energy: 0.397 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -334.429489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.429489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.648789 (E_RNA)
where:
Base-Base interactions energy: -230.093
where: short stacking energy: -87.665
Base-Backbone interact. energy: -0.105
local terms energy: -105.451247
where:
bonds (distance) C4'-P energy: -28.949
bonds (distance) P-C4' energy: -19.328
flat angles C4'-P-C4' energy: -18.865
flat angles P-C4'-P energy: -17.745
tors. eta vs tors. theta energy: -20.564
Dist. restrs. and SS energy: 1.219 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -321.004539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.004539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.483185 (E_RNA)
where:
Base-Base interactions energy: -215.523
where: short stacking energy: -84.015
Base-Backbone interact. energy: -0.621
local terms energy: -105.338989
where:
bonds (distance) C4'-P energy: -24.517
bonds (distance) P-C4' energy: -19.959
flat angles C4'-P-C4' energy: -20.186
flat angles P-C4'-P energy: -15.436
tors. eta vs tors. theta energy: -25.241
Dist. restrs. and SS energy: 0.479 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -324.975506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.975506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.435316 (E_RNA)
where:
Base-Base interactions energy: -231.538
where: short stacking energy: -82.531
Base-Backbone interact. energy: 0.026
local terms energy: -93.923682
where:
bonds (distance) C4'-P energy: -10.756
bonds (distance) P-C4' energy: -28.024
flat angles C4'-P-C4' energy: -21.066
flat angles P-C4'-P energy: -15.374
tors. eta vs tors. theta energy: -18.705
Dist. restrs. and SS energy: 0.460 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -432.243256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.243256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.415214 (E_RNA)
where:
Base-Base interactions energy: -292.523
where: short stacking energy: -118.046
Base-Backbone interact. energy: 0.293
local terms energy: -140.185226
where:
bonds (distance) C4'-P energy: -26.113
bonds (distance) P-C4' energy: -32.496
flat angles C4'-P-C4' energy: -29.865
flat angles P-C4'-P energy: -23.658
tors. eta vs tors. theta energy: -28.052
Dist. restrs. and SS energy: 0.172 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -401.298539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.298539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.505731 (E_RNA)
where:
Base-Base interactions energy: -271.709
where: short stacking energy: -113.333
Base-Backbone interact. energy: -0.447
local terms energy: -129.350166
where:
bonds (distance) C4'-P energy: -24.232
bonds (distance) P-C4' energy: -23.631
flat angles C4'-P-C4' energy: -27.910
flat angles P-C4'-P energy: -21.989
tors. eta vs tors. theta energy: -31.588
Dist. restrs. and SS energy: 0.207 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -395.165613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.165613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.476324 (E_RNA)
where:
Base-Base interactions energy: -272.227
where: short stacking energy: -106.008
Base-Backbone interact. energy: -0.880
local terms energy: -122.369176
where:
bonds (distance) C4'-P energy: -19.177
bonds (distance) P-C4' energy: -27.608
flat angles C4'-P-C4' energy: -27.503
flat angles P-C4'-P energy: -16.440
tors. eta vs tors. theta energy: -31.641
Dist. restrs. and SS energy: 0.311 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -393.428052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.428052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.522819 (E_RNA)
where:
Base-Base interactions energy: -268.812
where: short stacking energy: -113.164
Base-Backbone interact. energy: -0.962
local terms energy: -123.748417
where:
bonds (distance) C4'-P energy: -24.636
bonds (distance) P-C4' energy: -28.726
flat angles C4'-P-C4' energy: -23.005
flat angles P-C4'-P energy: -15.745
tors. eta vs tors. theta energy: -31.636
Dist. restrs. and SS energy: 0.095 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -393.917324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.917324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.125834 (E_RNA)
where:
Base-Base interactions energy: -275.632
where: short stacking energy: -105.821
Base-Backbone interact. energy: -0.348
local terms energy: -118.146042
where:
bonds (distance) C4'-P energy: -20.362
bonds (distance) P-C4' energy: -24.072
flat angles C4'-P-C4' energy: -30.932
flat angles P-C4'-P energy: -12.128
tors. eta vs tors. theta energy: -30.651
Dist. restrs. and SS energy: 0.209 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -368.944192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.944192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.107269 (E_RNA)
where:
Base-Base interactions energy: -249.080
where: short stacking energy: -106.855
Base-Backbone interact. energy: -0.145
local terms energy: -119.881842
where:
bonds (distance) C4'-P energy: -22.288
bonds (distance) P-C4' energy: -25.695
flat angles C4'-P-C4' energy: -28.137
flat angles P-C4'-P energy: -12.862
tors. eta vs tors. theta energy: -30.900
Dist. restrs. and SS energy: 0.163 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -310.537094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.537094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.953440 (E_RNA)
where:
Base-Base interactions energy: -207.777
where: short stacking energy: -83.050
Base-Backbone interact. energy: -0.277
local terms energy: -102.899364
where:
bonds (distance) C4'-P energy: -24.849
bonds (distance) P-C4' energy: -26.043
flat angles C4'-P-C4' energy: -21.807
flat angles P-C4'-P energy: -11.677
tors. eta vs tors. theta energy: -18.523
Dist. restrs. and SS energy: 0.416 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -342.583607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.583607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.690308 (E_RNA)
where:
Base-Base interactions energy: -238.995
where: short stacking energy: -86.490
Base-Backbone interact. energy: -2.124
local terms energy: -101.571823
where:
bonds (distance) C4'-P energy: -21.641
bonds (distance) P-C4' energy: -22.150
flat angles C4'-P-C4' energy: -19.190
flat angles P-C4'-P energy: -20.154
tors. eta vs tors. theta energy: -18.437
Dist. restrs. and SS energy: 0.107 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -277.639876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.639876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.121450 (E_RNA)
where:
Base-Base interactions energy: -180.047
where: short stacking energy: -71.364
Base-Backbone interact. energy: 2.538
local terms energy: -103.612008
where:
bonds (distance) C4'-P energy: -28.508
bonds (distance) P-C4' energy: -23.268
flat angles C4'-P-C4' energy: -24.260
flat angles P-C4'-P energy: -10.896
tors. eta vs tors. theta energy: -16.680
Dist. restrs. and SS energy: 3.482 (S_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: 469
Temperature: 1.350000
Total energy: -312.881664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.881664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.120271 (E_RNA)
where:
Base-Base interactions energy: -205.897
where: short stacking energy: -82.176
Base-Backbone interact. energy: -0.592
local terms energy: -106.631260
where:
bonds (distance) C4'-P energy: -22.296
bonds (distance) P-C4' energy: -27.736
flat angles C4'-P-C4' energy: -21.745
flat angles P-C4'-P energy: -14.936
tors. eta vs tors. theta energy: -19.918
Dist. restrs. and SS energy: 0.239 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -430.927560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.927560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.201496 (E_RNA)
where:
Base-Base interactions energy: -298.487
where: short stacking energy: -106.137
Base-Backbone interact. energy: 0.724
local terms energy: -133.437612
where:
bonds (distance) C4'-P energy: -25.188
bonds (distance) P-C4' energy: -33.688
flat angles C4'-P-C4' energy: -23.916
flat angles P-C4'-P energy: -19.648
tors. eta vs tors. theta energy: -30.998
Dist. restrs. and SS energy: 0.274 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -412.190044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.190044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.309831 (E_RNA)
where:
Base-Base interactions energy: -274.872
where: short stacking energy: -118.434
Base-Backbone interact. energy: -0.110
local terms energy: -137.328115
where:
bonds (distance) C4'-P energy: -28.577
bonds (distance) P-C4' energy: -27.444
flat angles C4'-P-C4' energy: -32.625
flat angles P-C4'-P energy: -19.065
tors. eta vs tors. theta energy: -29.617
Dist. restrs. and SS energy: 0.120 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -401.428063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.428063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.450344 (E_RNA)
where:
Base-Base interactions energy: -270.551
where: short stacking energy: -113.787
Base-Backbone interact. energy: -0.349
local terms energy: -130.549978
where:
bonds (distance) C4'-P energy: -26.907
bonds (distance) P-C4' energy: -25.841
flat angles C4'-P-C4' energy: -30.347
flat angles P-C4'-P energy: -17.954
tors. eta vs tors. theta energy: -29.500
Dist. restrs. and SS energy: 0.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -392.890701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.890701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.115874 (E_RNA)
where:
Base-Base interactions energy: -259.586
where: short stacking energy: -98.857
Base-Backbone interact. energy: -0.682
local terms energy: -132.848081
where:
bonds (distance) C4'-P energy: -27.783
bonds (distance) P-C4' energy: -25.515
flat angles C4'-P-C4' energy: -22.920
flat angles P-C4'-P energy: -21.944
tors. eta vs tors. theta energy: -34.685
Dist. restrs. and SS energy: 0.225 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -375.988853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.988853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.659935 (E_RNA)
where:
Base-Base interactions energy: -258.015
where: short stacking energy: -109.066
Base-Backbone interact. energy: -0.038
local terms energy: -118.606383
where:
bonds (distance) C4'-P energy: -22.799
bonds (distance) P-C4' energy: -25.131
flat angles C4'-P-C4' energy: -25.582
flat angles P-C4'-P energy: -16.972
tors. eta vs tors. theta energy: -28.122
Dist. restrs. and SS energy: 0.671 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -350.253712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.253712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.448319 (E_RNA)
where:
Base-Base interactions energy: -226.169
where: short stacking energy: -91.048
Base-Backbone interact. energy: -3.045
local terms energy: -121.234351
where:
bonds (distance) C4'-P energy: -25.384
bonds (distance) P-C4' energy: -23.969
flat angles C4'-P-C4' energy: -28.639
flat angles P-C4'-P energy: -15.880
tors. eta vs tors. theta energy: -27.363
Dist. restrs. and SS energy: 0.195 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -368.162865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.162865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.277890 (E_RNA)
where:
Base-Base interactions energy: -251.430
where: short stacking energy: -98.818
Base-Backbone interact. energy: -0.533
local terms energy: -116.315163
where:
bonds (distance) C4'-P energy: -22.251
bonds (distance) P-C4' energy: -23.905
flat angles C4'-P-C4' energy: -26.226
flat angles P-C4'-P energy: -14.439
tors. eta vs tors. theta energy: -29.494
Dist. restrs. and SS energy: 0.115 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -322.910455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.910455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.344224 (E_RNA)
where:
Base-Base interactions energy: -217.142
where: short stacking energy: -85.593
Base-Backbone interact. energy: -0.635
local terms energy: -105.566950
where:
bonds (distance) C4'-P energy: -28.594
bonds (distance) P-C4' energy: -26.618
flat angles C4'-P-C4' energy: -20.454
flat angles P-C4'-P energy: -9.768
tors. eta vs tors. theta energy: -20.133
Dist. restrs. and SS energy: 0.434 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -338.117175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.117175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.316619 (E_RNA)
where:
Base-Base interactions energy: -229.168
where: short stacking energy: -91.757
Base-Backbone interact. energy: -0.529
local terms energy: -108.619757
where:
bonds (distance) C4'-P energy: -25.715
bonds (distance) P-C4' energy: -24.310
flat angles C4'-P-C4' energy: -20.221
flat angles P-C4'-P energy: -13.774
tors. eta vs tors. theta energy: -24.599
Dist. restrs. and SS energy: 0.199 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -264.487396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.487396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.700967 (E_RNA)
where:
Base-Base interactions energy: -179.326
where: short stacking energy: -70.920
Base-Backbone interact. energy: 0.754
local terms energy: -87.128786
where:
bonds (distance) C4'-P energy: -16.931
bonds (distance) P-C4' energy: -27.441
flat angles C4'-P-C4' energy: -16.221
flat angles P-C4'-P energy: -9.091
tors. eta vs tors. theta energy: -17.445
Dist. restrs. and SS energy: 1.214 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -434.365049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.365049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.468966 (E_RNA)
where:
Base-Base interactions energy: -304.253
where: short stacking energy: -116.638
Base-Backbone interact. energy: -0.437
local terms energy: -129.779423
where:
bonds (distance) C4'-P energy: -25.426
bonds (distance) P-C4' energy: -29.637
flat angles C4'-P-C4' energy: -29.668
flat angles P-C4'-P energy: -15.165
tors. eta vs tors. theta energy: -29.884
Dist. restrs. and SS energy: 0.104 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -405.702626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.702626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.739208 (E_RNA)
where:
Base-Base interactions energy: -271.667
where: short stacking energy: -118.535
Base-Backbone interact. energy: -0.365
local terms energy: -133.706543
where:
bonds (distance) C4'-P energy: -25.872
bonds (distance) P-C4' energy: -31.725
flat angles C4'-P-C4' energy: -29.861
flat angles P-C4'-P energy: -14.183
tors. eta vs tors. theta energy: -32.066
Dist. restrs. and SS energy: 0.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -402.860749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.860749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.451961 (E_RNA)
where:
Base-Base interactions energy: -271.054
where: short stacking energy: -105.990
Base-Backbone interact. energy: 0.114
local terms energy: -132.511858
where:
bonds (distance) C4'-P energy: -26.511
bonds (distance) P-C4' energy: -28.542
flat angles C4'-P-C4' energy: -30.061
flat angles P-C4'-P energy: -14.077
tors. eta vs tors. theta energy: -33.321
Dist. restrs. and SS energy: 0.591 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -383.148995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.148995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.284592 (E_RNA)
where:
Base-Base interactions energy: -254.519
where: short stacking energy: -116.765
Base-Backbone interact. energy: 0.988
local terms energy: -129.753998
where:
bonds (distance) C4'-P energy: -25.321
bonds (distance) P-C4' energy: -26.692
flat angles C4'-P-C4' energy: -27.876
flat angles P-C4'-P energy: -20.819
tors. eta vs tors. theta energy: -29.046
Dist. restrs. and SS energy: 0.136 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -370.745132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.745132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.929516 (E_RNA)
where:
Base-Base interactions energy: -248.791
where: short stacking energy: -87.887
Base-Backbone interact. energy: -0.944
local terms energy: -121.194767
where:
bonds (distance) C4'-P energy: -19.393
bonds (distance) P-C4' energy: -30.270
flat angles C4'-P-C4' energy: -29.238
flat angles P-C4'-P energy: -18.930
tors. eta vs tors. theta energy: -23.364
Dist. restrs. and SS energy: 0.184 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -378.182716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.182716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.278297 (E_RNA)
where:
Base-Base interactions energy: -265.576
where: short stacking energy: -113.844
Base-Backbone interact. energy: 2.447
local terms energy: -115.149061
where:
bonds (distance) C4'-P energy: -20.920
bonds (distance) P-C4' energy: -21.911
flat angles C4'-P-C4' energy: -26.955
flat angles P-C4'-P energy: -12.950
tors. eta vs tors. theta energy: -32.414
Dist. restrs. and SS energy: 0.096 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -343.344686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.344686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.947797 (E_RNA)
where:
Base-Base interactions energy: -229.772
where: short stacking energy: -80.932
Base-Backbone interact. energy: -0.534
local terms energy: -113.642071
where:
bonds (distance) C4'-P energy: -24.707
bonds (distance) P-C4' energy: -25.863
flat angles C4'-P-C4' energy: -24.078
flat angles P-C4'-P energy: -14.515
tors. eta vs tors. theta energy: -24.480
Dist. restrs. and SS energy: 0.603 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -346.515781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.515781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.813366 (E_RNA)
where:
Base-Base interactions energy: -230.141
where: short stacking energy: -86.755
Base-Backbone interact. energy: -0.905
local terms energy: -115.766931
where:
bonds (distance) C4'-P energy: -28.097
bonds (distance) P-C4' energy: -24.379
flat angles C4'-P-C4' energy: -23.319
flat angles P-C4'-P energy: -16.815
tors. eta vs tors. theta energy: -23.157
Dist. restrs. and SS energy: 0.298 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -332.267025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.267025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.898100 (E_RNA)
where:
Base-Base interactions energy: -226.129
where: short stacking energy: -86.782
Base-Backbone interact. energy: -0.294
local terms energy: -106.474552
where:
bonds (distance) C4'-P energy: -19.554
bonds (distance) P-C4' energy: -20.600
flat angles C4'-P-C4' energy: -27.403
flat angles P-C4'-P energy: -14.710
tors. eta vs tors. theta energy: -24.208
Dist. restrs. and SS energy: 0.631 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -291.630815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.630815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.064024 (E_RNA)
where:
Base-Base interactions energy: -191.552
where: short stacking energy: -77.795
Base-Backbone interact. energy: 1.488
local terms energy: -102.000091
where:
bonds (distance) C4'-P energy: -27.430
bonds (distance) P-C4' energy: -28.833
flat angles C4'-P-C4' energy: -20.859
flat angles P-C4'-P energy: -7.261
tors. eta vs tors. theta energy: -17.618
Dist. restrs. and SS energy: 0.433 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -437.454735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.454735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.901021 (E_RNA)
where:
Base-Base interactions energy: -298.054
where: short stacking energy: -113.371
Base-Backbone interact. energy: -0.282
local terms energy: -139.564627
where:
bonds (distance) C4'-P energy: -29.612
bonds (distance) P-C4' energy: -24.105
flat angles C4'-P-C4' energy: -31.869
flat angles P-C4'-P energy: -21.352
tors. eta vs tors. theta energy: -32.627
Dist. restrs. and SS energy: 0.446 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -410.069182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.069182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.275690 (E_RNA)
where:
Base-Base interactions energy: -276.537
where: short stacking energy: -124.991
Base-Backbone interact. energy: -0.771
local terms energy: -132.967326
where:
bonds (distance) C4'-P energy: -23.802
bonds (distance) P-C4' energy: -25.670
flat angles C4'-P-C4' energy: -31.039
flat angles P-C4'-P energy: -21.022
tors. eta vs tors. theta energy: -31.434
Dist. restrs. and SS energy: 0.207 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -395.424445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.424445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.584670 (E_RNA)
where:
Base-Base interactions energy: -258.631
where: short stacking energy: -110.725
Base-Backbone interact. energy: 0.282
local terms energy: -137.235696
where:
bonds (distance) C4'-P energy: -29.661
bonds (distance) P-C4' energy: -22.619
flat angles C4'-P-C4' energy: -30.831
flat angles P-C4'-P energy: -20.474
tors. eta vs tors. theta energy: -33.651
Dist. restrs. and SS energy: 0.160 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -385.675792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.675792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.891383 (E_RNA)
where:
Base-Base interactions energy: -262.323
where: short stacking energy: -109.763
Base-Backbone interact. energy: 3.457
local terms energy: -127.025488
where:
bonds (distance) C4'-P energy: -27.177
bonds (distance) P-C4' energy: -31.438
flat angles C4'-P-C4' energy: -25.232
flat angles P-C4'-P energy: -15.311
tors. eta vs tors. theta energy: -27.867
Dist. restrs. and SS energy: 0.216 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -378.626218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.626218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.349978 (E_RNA)
where:
Base-Base interactions energy: -248.391
where: short stacking energy: -106.337
Base-Backbone interact. energy: 1.826
local terms energy: -132.784930
where:
bonds (distance) C4'-P energy: -28.999
bonds (distance) P-C4' energy: -27.450
flat angles C4'-P-C4' energy: -29.197
flat angles P-C4'-P energy: -15.742
tors. eta vs tors. theta energy: -31.397
Dist. restrs. and SS energy: 0.724 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -386.846864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.846864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.047222 (E_RNA)
where:
Base-Base interactions energy: -261.435
where: short stacking energy: -101.836
Base-Backbone interact. energy: -0.318
local terms energy: -125.294009
where:
bonds (distance) C4'-P energy: -25.633
bonds (distance) P-C4' energy: -24.134
flat angles C4'-P-C4' energy: -25.701
flat angles P-C4'-P energy: -20.036
tors. eta vs tors. theta energy: -29.790
Dist. restrs. and SS energy: 0.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -362.794917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.794917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.176907 (E_RNA)
where:
Base-Base interactions energy: -246.587
where: short stacking energy: -91.116
Base-Backbone interact. energy: 0.425
local terms energy: -117.014988
where:
bonds (distance) C4'-P energy: -27.575
bonds (distance) P-C4' energy: -27.682
flat angles C4'-P-C4' energy: -27.063
flat angles P-C4'-P energy: -9.839
tors. eta vs tors. theta energy: -24.856
Dist. restrs. and SS energy: 0.382 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -325.049926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.049926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.634422 (E_RNA)
where:
Base-Base interactions energy: -221.194
where: short stacking energy: -87.365
Base-Backbone interact. energy: -1.253
local terms energy: -103.187105
where:
bonds (distance) C4'-P energy: -24.659
bonds (distance) P-C4' energy: -19.134
flat angles C4'-P-C4' energy: -19.315
flat angles P-C4'-P energy: -14.895
tors. eta vs tors. theta energy: -25.184
Dist. restrs. and SS energy: 0.584 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -326.668526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.668526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.681078 (E_RNA)
where:
Base-Base interactions energy: -215.711
where: short stacking energy: -75.922
Base-Backbone interact. energy: 0.355
local terms energy: -111.325137
where:
bonds (distance) C4'-P energy: -20.839
bonds (distance) P-C4' energy: -25.691
flat angles C4'-P-C4' energy: -27.203
flat angles P-C4'-P energy: -15.416
tors. eta vs tors. theta energy: -22.176
Dist. restrs. and SS energy: 0.013 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -309.262178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.262178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.552175 (E_RNA)
where:
Base-Base interactions energy: -215.691
where: short stacking energy: -79.583
Base-Backbone interact. energy: -0.485
local terms energy: -93.376328
where:
bonds (distance) C4'-P energy: -23.182
bonds (distance) P-C4' energy: -20.438
flat angles C4'-P-C4' energy: -22.228
flat angles P-C4'-P energy: -13.251
tors. eta vs tors. theta energy: -14.278
Dist. restrs. and SS energy: 0.290 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -429.679900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.679900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.002863 (E_RNA)
where:
Base-Base interactions energy: -301.775
where: short stacking energy: -113.012
Base-Backbone interact. energy: -0.351
local terms energy: -127.876673
where:
bonds (distance) C4'-P energy: -26.763
bonds (distance) P-C4' energy: -23.888
flat angles C4'-P-C4' energy: -24.121
flat angles P-C4'-P energy: -21.523
tors. eta vs tors. theta energy: -31.582
Dist. restrs. and SS energy: 0.323 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -413.371987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.371987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.815882 (E_RNA)
where:
Base-Base interactions energy: -284.010
where: short stacking energy: -112.222
Base-Backbone interact. energy: -0.334
local terms energy: -129.472511
where:
bonds (distance) C4'-P energy: -22.238
bonds (distance) P-C4' energy: -28.177
flat angles C4'-P-C4' energy: -29.196
flat angles P-C4'-P energy: -17.633
tors. eta vs tors. theta energy: -32.229
Dist. restrs. and SS energy: 0.444 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -386.790873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.790873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.965975 (E_RNA)
where:
Base-Base interactions energy: -257.650
where: short stacking energy: -103.249
Base-Backbone interact. energy: -0.402
local terms energy: -128.914167
where:
bonds (distance) C4'-P energy: -25.232
bonds (distance) P-C4' energy: -28.693
flat angles C4'-P-C4' energy: -27.622
flat angles P-C4'-P energy: -17.810
tors. eta vs tors. theta energy: -29.558
Dist. restrs. and SS energy: 0.175 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -402.529968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.529968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.809730 (E_RNA)
where:
Base-Base interactions energy: -271.645
where: short stacking energy: -115.956
Base-Backbone interact. energy: -0.322
local terms energy: -130.842635
where:
bonds (distance) C4'-P energy: -23.761
bonds (distance) P-C4' energy: -28.011
flat angles C4'-P-C4' energy: -23.923
flat angles P-C4'-P energy: -22.250
tors. eta vs tors. theta energy: -32.897
Dist. restrs. and SS energy: 0.280 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -369.461031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.461031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.736987 (E_RNA)
where:
Base-Base interactions energy: -256.862
where: short stacking energy: -106.262
Base-Backbone interact. energy: 0.135
local terms energy: -113.010033
where:
bonds (distance) C4'-P energy: -21.681
bonds (distance) P-C4' energy: -16.528
flat angles C4'-P-C4' energy: -24.889
flat angles P-C4'-P energy: -16.921
tors. eta vs tors. theta energy: -32.991
Dist. restrs. and SS energy: 0.276 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -365.095753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.095753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.777697 (E_RNA)
where:
Base-Base interactions energy: -252.886
where: short stacking energy: -93.246
Base-Backbone interact. energy: 0.141
local terms energy: -113.031931
where:
bonds (distance) C4'-P energy: -26.573
bonds (distance) P-C4' energy: -20.044
flat angles C4'-P-C4' energy: -22.874
flat angles P-C4'-P energy: -13.179
tors. eta vs tors. theta energy: -30.362
Dist. restrs. and SS energy: 0.682 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -359.832613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.832613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.133367 (E_RNA)
where:
Base-Base interactions energy: -245.533
where: short stacking energy: -93.475
Base-Backbone interact. energy: -0.910
local terms energy: -113.690387
where:
bonds (distance) C4'-P energy: -18.491
bonds (distance) P-C4' energy: -24.461
flat angles C4'-P-C4' energy: -21.747
flat angles P-C4'-P energy: -18.143
tors. eta vs tors. theta energy: -30.848
Dist. restrs. and SS energy: 0.301 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -332.518852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.518852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.803792 (E_RNA)
where:
Base-Base interactions energy: -225.779
where: short stacking energy: -86.247
Base-Backbone interact. energy: 1.530
local terms energy: -108.554511
where:
bonds (distance) C4'-P energy: -26.830
bonds (distance) P-C4' energy: -23.505
flat angles C4'-P-C4' energy: -24.207
flat angles P-C4'-P energy: -10.801
tors. eta vs tors. theta energy: -23.211
Dist. restrs. and SS energy: 0.285 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -335.855553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.855553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.346998 (E_RNA)
where:
Base-Base interactions energy: -228.058
where: short stacking energy: -89.894
Base-Backbone interact. energy: -0.438
local terms energy: -107.851287
where:
bonds (distance) C4'-P energy: -28.101
bonds (distance) P-C4' energy: -22.890
flat angles C4'-P-C4' energy: -21.150
flat angles P-C4'-P energy: -14.336
tors. eta vs tors. theta energy: -21.374
Dist. restrs. and SS energy: 0.491 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -305.858185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.858185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.258826 (E_RNA)
where:
Base-Base interactions energy: -203.572
where: short stacking energy: -80.677
Base-Backbone interact. energy: -0.850
local terms energy: -101.836964
where:
bonds (distance) C4'-P energy: -28.510
bonds (distance) P-C4' energy: -23.567
flat angles C4'-P-C4' energy: -17.742
flat angles P-C4'-P energy: -14.293
tors. eta vs tors. theta energy: -17.725
Dist. restrs. and SS energy: 0.401 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -439.731604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.731604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.236995 (E_RNA)
where:
Base-Base interactions energy: -301.720
where: short stacking energy: -115.898
Base-Backbone interact. energy: 0.252
local terms energy: -138.769513
where:
bonds (distance) C4'-P energy: -26.142
bonds (distance) P-C4' energy: -30.823
flat angles C4'-P-C4' energy: -28.043
flat angles P-C4'-P energy: -19.782
tors. eta vs tors. theta energy: -33.979
Dist. restrs. and SS energy: 0.505 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -408.174929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.174929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.495541 (E_RNA)
where:
Base-Base interactions energy: -272.326
where: short stacking energy: -117.158
Base-Backbone interact. energy: -0.293
local terms energy: -135.876736
where:
bonds (distance) C4'-P energy: -27.435
bonds (distance) P-C4' energy: -29.269
flat angles C4'-P-C4' energy: -31.114
flat angles P-C4'-P energy: -15.078
tors. eta vs tors. theta energy: -32.981
Dist. restrs. and SS energy: 0.321 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -400.470412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.470412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.562600 (E_RNA)
where:
Base-Base interactions energy: -267.912
where: short stacking energy: -99.349
Base-Backbone interact. energy: -1.544
local terms energy: -131.106675
where:
bonds (distance) C4'-P energy: -23.314
bonds (distance) P-C4' energy: -29.063
flat angles C4'-P-C4' energy: -27.481
flat angles P-C4'-P energy: -20.303
tors. eta vs tors. theta energy: -30.946
Dist. restrs. and SS energy: 0.092 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -389.100083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.100083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.135935 (E_RNA)
where:
Base-Base interactions energy: -264.347
where: short stacking energy: -107.062
Base-Backbone interact. energy: -0.509
local terms energy: -124.279590
where:
bonds (distance) C4'-P energy: -29.245
bonds (distance) P-C4' energy: -22.557
flat angles C4'-P-C4' energy: -27.973
flat angles P-C4'-P energy: -11.857
tors. eta vs tors. theta energy: -32.647
Dist. restrs. and SS energy: 0.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -382.518019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.518019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.635168 (E_RNA)
where:
Base-Base interactions energy: -257.500
where: short stacking energy: -112.614
Base-Backbone interact. energy: -1.014
local terms energy: -124.120934
where:
bonds (distance) C4'-P energy: -25.331
bonds (distance) P-C4' energy: -25.184
flat angles C4'-P-C4' energy: -25.749
flat angles P-C4'-P energy: -16.488
tors. eta vs tors. theta energy: -31.369
Dist. restrs. and SS energy: 0.117 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -363.099567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.099567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.329963 (E_RNA)
where:
Base-Base interactions energy: -241.949
where: short stacking energy: -92.765
Base-Backbone interact. energy: -0.769
local terms energy: -120.612635
where:
bonds (distance) C4'-P energy: -23.099
bonds (distance) P-C4' energy: -27.621
flat angles C4'-P-C4' energy: -28.219
flat angles P-C4'-P energy: -14.915
tors. eta vs tors. theta energy: -26.759
Dist. restrs. and SS energy: 0.230 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -333.342892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.342892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.867584 (E_RNA)
where:
Base-Base interactions energy: -227.368
where: short stacking energy: -93.909
Base-Backbone interact. energy: -0.218
local terms energy: -106.281400
where:
bonds (distance) C4'-P energy: -24.457
bonds (distance) P-C4' energy: -22.771
flat angles C4'-P-C4' energy: -19.181
flat angles P-C4'-P energy: -13.488
tors. eta vs tors. theta energy: -26.385
Dist. restrs. and SS energy: 0.525 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -326.548021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.548021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.941308 (E_RNA)
where:
Base-Base interactions energy: -221.285
where: short stacking energy: -77.681
Base-Backbone interact. energy: -0.329
local terms energy: -105.327373
where:
bonds (distance) C4'-P energy: -21.557
bonds (distance) P-C4' energy: -26.311
flat angles C4'-P-C4' energy: -22.257
flat angles P-C4'-P energy: -13.593
tors. eta vs tors. theta energy: -21.610
Dist. restrs. and SS energy: 0.393 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -310.181626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.181626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.426198 (E_RNA)
where:
Base-Base interactions energy: -219.726
where: short stacking energy: -89.806
Base-Backbone interact. energy: 0.305
local terms energy: -91.005272
where:
bonds (distance) C4'-P energy: -11.766
bonds (distance) P-C4' energy: -21.063
flat angles C4'-P-C4' energy: -25.918
flat angles P-C4'-P energy: -13.423
tors. eta vs tors. theta energy: -18.836
Dist. restrs. and SS energy: 0.245 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -299.330556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.330556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.532560 (E_RNA)
where:
Base-Base interactions energy: -211.349
where: short stacking energy: -69.094
Base-Backbone interact. energy: 0.499
local terms energy: -88.682244
where:
bonds (distance) C4'-P energy: -20.317
bonds (distance) P-C4' energy: -17.232
flat angles C4'-P-C4' energy: -23.661
flat angles P-C4'-P energy: -7.348
tors. eta vs tors. theta energy: -20.125
Dist. restrs. and SS energy: 0.202 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -437.172412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.172412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.577608 (E_RNA)
where:
Base-Base interactions energy: -307.218
where: short stacking energy: -114.150
Base-Backbone interact. energy: -0.809
local terms energy: -129.550223
where:
bonds (distance) C4'-P energy: -26.047
bonds (distance) P-C4' energy: -23.705
flat angles C4'-P-C4' energy: -27.571
flat angles P-C4'-P energy: -18.167
tors. eta vs tors. theta energy: -34.060
Dist. restrs. and SS energy: 0.405 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -411.526600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.526600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.761684 (E_RNA)
where:
Base-Base interactions energy: -287.271
where: short stacking energy: -114.140
Base-Backbone interact. energy: -0.997
local terms energy: -123.493620
where:
bonds (distance) C4'-P energy: -21.400
bonds (distance) P-C4' energy: -25.516
flat angles C4'-P-C4' energy: -27.866
flat angles P-C4'-P energy: -22.940
tors. eta vs tors. theta energy: -25.771
Dist. restrs. and SS energy: 0.235 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -393.364462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.364462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.539804 (E_RNA)
where:
Base-Base interactions energy: -268.016
where: short stacking energy: -103.849
Base-Backbone interact. energy: -0.338
local terms energy: -125.186062
where:
bonds (distance) C4'-P energy: -26.701
bonds (distance) P-C4' energy: -25.308
flat angles C4'-P-C4' energy: -30.151
flat angles P-C4'-P energy: -17.954
tors. eta vs tors. theta energy: -25.072
Dist. restrs. and SS energy: 0.175 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -384.979772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.979772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.181375 (E_RNA)
where:
Base-Base interactions energy: -260.320
where: short stacking energy: -111.683
Base-Backbone interact. energy: -0.740
local terms energy: -124.121239
where:
bonds (distance) C4'-P energy: -27.835
bonds (distance) P-C4' energy: -22.803
flat angles C4'-P-C4' energy: -28.971
flat angles P-C4'-P energy: -15.761
tors. eta vs tors. theta energy: -28.751
Dist. restrs. and SS energy: 0.202 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -387.698518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.698518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.925435 (E_RNA)
where:
Base-Base interactions energy: -255.946
where: short stacking energy: -112.056
Base-Backbone interact. energy: -0.363
local terms energy: -131.616838
where:
bonds (distance) C4'-P energy: -25.741
bonds (distance) P-C4' energy: -29.027
flat angles C4'-P-C4' energy: -29.967
flat angles P-C4'-P energy: -19.056
tors. eta vs tors. theta energy: -27.826
Dist. restrs. and SS energy: 0.227 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -376.201057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.201057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.341837 (E_RNA)
where:
Base-Base interactions energy: -256.663
where: short stacking energy: -99.104
Base-Backbone interact. energy: -0.176
local terms energy: -119.502892
where:
bonds (distance) C4'-P energy: -18.762
bonds (distance) P-C4' energy: -22.828
flat angles C4'-P-C4' energy: -28.659
flat angles P-C4'-P energy: -18.939
tors. eta vs tors. theta energy: -30.315
Dist. restrs. and SS energy: 0.141 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -326.001045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.001045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.315315 (E_RNA)
where:
Base-Base interactions energy: -220.503
where: short stacking energy: -84.301
Base-Backbone interact. energy: -0.326
local terms energy: -105.486559
where:
bonds (distance) C4'-P energy: -15.757
bonds (distance) P-C4' energy: -23.374
flat angles C4'-P-C4' energy: -27.256
flat angles P-C4'-P energy: -14.578
tors. eta vs tors. theta energy: -24.522
Dist. restrs. and SS energy: 0.314 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -323.411871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.411871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.952925 (E_RNA)
where:
Base-Base interactions energy: -214.238
where: short stacking energy: -76.234
Base-Backbone interact. energy: 0.372
local terms energy: -110.086339
where:
bonds (distance) C4'-P energy: -25.923
bonds (distance) P-C4' energy: -19.269
flat angles C4'-P-C4' energy: -27.925
flat angles P-C4'-P energy: -15.209
tors. eta vs tors. theta energy: -21.761
Dist. restrs. and SS energy: 0.541 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -321.856233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.856233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.120931 (E_RNA)
where:
Base-Base interactions energy: -217.484
where: short stacking energy: -82.020
Base-Backbone interact. energy: -0.104
local terms energy: -104.533307
where:
bonds (distance) C4'-P energy: -24.035
bonds (distance) P-C4' energy: -18.722
flat angles C4'-P-C4' energy: -24.036
flat angles P-C4'-P energy: -17.050
tors. eta vs tors. theta energy: -20.689
Dist. restrs. and SS energy: 0.265 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -305.524160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.524160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.778298 (E_RNA)
where:
Base-Base interactions energy: -201.492
where: short stacking energy: -77.939
Base-Backbone interact. energy: 1.222
local terms energy: -105.508265
where:
bonds (distance) C4'-P energy: -18.507
bonds (distance) P-C4' energy: -23.506
flat angles C4'-P-C4' energy: -27.731
flat angles P-C4'-P energy: -14.317
tors. eta vs tors. theta energy: -21.447
Dist. restrs. and SS energy: 0.254 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -427.961879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.961879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.151153 (E_RNA)
where:
Base-Base interactions energy: -293.866
where: short stacking energy: -115.789
Base-Backbone interact. energy: -0.463
local terms energy: -133.821464
where:
bonds (distance) C4'-P energy: -22.663
bonds (distance) P-C4' energy: -30.418
flat angles C4'-P-C4' energy: -25.672
flat angles P-C4'-P energy: -21.798
tors. eta vs tors. theta energy: -33.270
Dist. restrs. and SS energy: 0.189 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -419.444701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.444701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.858562 (E_RNA)
where:
Base-Base interactions energy: -284.044
where: short stacking energy: -124.032
Base-Backbone interact. energy: -0.226
local terms energy: -135.588685
where:
bonds (distance) C4'-P energy: -28.572
bonds (distance) P-C4' energy: -27.908
flat angles C4'-P-C4' energy: -29.413
flat angles P-C4'-P energy: -16.319
tors. eta vs tors. theta energy: -33.376
Dist. restrs. and SS energy: 0.414 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -402.405729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.405729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.446854 (E_RNA)
where:
Base-Base interactions energy: -266.930
where: short stacking energy: -117.876
Base-Backbone interact. energy: -0.345
local terms energy: -135.172298
where:
bonds (distance) C4'-P energy: -25.301
bonds (distance) P-C4' energy: -28.215
flat angles C4'-P-C4' energy: -27.139
flat angles P-C4'-P energy: -18.559
tors. eta vs tors. theta energy: -35.957
Dist. restrs. and SS energy: 0.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -390.330011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.330011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.555350 (E_RNA)
where:
Base-Base interactions energy: -255.828
where: short stacking energy: -112.627
Base-Backbone interact. energy: -0.290
local terms energy: -134.436832
where:
bonds (distance) C4'-P energy: -28.670
bonds (distance) P-C4' energy: -26.013
flat angles C4'-P-C4' energy: -32.318
flat angles P-C4'-P energy: -17.129
tors. eta vs tors. theta energy: -30.306
Dist. restrs. and SS energy: 0.225 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -394.031367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.031367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.376782 (E_RNA)
where:
Base-Base interactions energy: -268.229
where: short stacking energy: -102.280
Base-Backbone interact. energy: -0.445
local terms energy: -125.703179
where:
bonds (distance) C4'-P energy: -27.211
bonds (distance) P-C4' energy: -24.802
flat angles C4'-P-C4' energy: -28.566
flat angles P-C4'-P energy: -17.647
tors. eta vs tors. theta energy: -27.477
Dist. restrs. and SS energy: 0.345 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -381.813174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.813174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.224436 (E_RNA)
where:
Base-Base interactions energy: -253.760
where: short stacking energy: -105.218
Base-Backbone interact. energy: -0.390
local terms energy: -128.073782
where:
bonds (distance) C4'-P energy: -23.949
bonds (distance) P-C4' energy: -29.852
flat angles C4'-P-C4' energy: -29.551
flat angles P-C4'-P energy: -19.700
tors. eta vs tors. theta energy: -25.022
Dist. restrs. and SS energy: 0.411 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -338.065647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.065647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.245517 (E_RNA)
where:
Base-Base interactions energy: -218.510
where: short stacking energy: -98.479
Base-Backbone interact. energy: 1.577
local terms energy: -121.312074
where:
bonds (distance) C4'-P energy: -24.951
bonds (distance) P-C4' energy: -24.157
flat angles C4'-P-C4' energy: -29.555
flat angles P-C4'-P energy: -13.436
tors. eta vs tors. theta energy: -29.214
Dist. restrs. and SS energy: 0.180 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -323.435939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.435939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.956008 (E_RNA)
where:
Base-Base interactions energy: -219.498
where: short stacking energy: -86.342
Base-Backbone interact. energy: -0.606
local terms energy: -103.852466
where:
bonds (distance) C4'-P energy: -20.433
bonds (distance) P-C4' energy: -25.710
flat angles C4'-P-C4' energy: -23.973
flat angles P-C4'-P energy: -14.105
tors. eta vs tors. theta energy: -19.632
Dist. restrs. and SS energy: 0.520 (S_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: 476
Temperature: 1.300000
Total energy: -332.603324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.603324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.026156 (E_RNA)
where:
Base-Base interactions energy: -224.982
where: short stacking energy: -86.495
Base-Backbone interact. energy: -1.125
local terms energy: -106.918731
where:
bonds (distance) C4'-P energy: -24.370
bonds (distance) P-C4' energy: -25.755
flat angles C4'-P-C4' energy: -24.247
flat angles P-C4'-P energy: -14.183
tors. eta vs tors. theta energy: -18.364
Dist. restrs. and SS energy: 0.423 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -294.858034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.858034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.087363 (E_RNA)
where:
Base-Base interactions energy: -201.704
where: short stacking energy: -79.040
Base-Backbone interact. energy: -0.210
local terms energy: -93.173420
where:
bonds (distance) C4'-P energy: -22.821
bonds (distance) P-C4' energy: -24.998
flat angles C4'-P-C4' energy: -16.229
flat angles P-C4'-P energy: -13.139
tors. eta vs tors. theta energy: -15.987
Dist. restrs. and SS energy: 0.229 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -437.942930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.942930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.004378 (E_RNA)
where:
Base-Base interactions energy: -298.735
where: short stacking energy: -119.714
Base-Backbone interact. energy: -0.338
local terms energy: -138.931568
where:
bonds (distance) C4'-P energy: -28.630
bonds (distance) P-C4' energy: -28.466
flat angles C4'-P-C4' energy: -28.523
flat angles P-C4'-P energy: -17.921
tors. eta vs tors. theta energy: -35.392
Dist. restrs. and SS energy: 0.061 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -418.641709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.641709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.984124 (E_RNA)
where:
Base-Base interactions energy: -284.907
where: short stacking energy: -117.735
Base-Backbone interact. energy: -0.229
local terms energy: -133.848465
where:
bonds (distance) C4'-P energy: -21.701
bonds (distance) P-C4' energy: -27.529
flat angles C4'-P-C4' energy: -29.374
flat angles P-C4'-P energy: -21.485
tors. eta vs tors. theta energy: -33.759
Dist. restrs. and SS energy: 0.342 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -408.236463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.236463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.716298 (E_RNA)
where:
Base-Base interactions energy: -280.105
where: short stacking energy: -108.524
Base-Backbone interact. energy: -0.873
local terms energy: -127.738495
where:
bonds (distance) C4'-P energy: -25.964
bonds (distance) P-C4' energy: -23.856
flat angles C4'-P-C4' energy: -27.681
flat angles P-C4'-P energy: -17.386
tors. eta vs tors. theta energy: -32.852
Dist. restrs. and SS energy: 0.480 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -391.827435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.827435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.069159 (E_RNA)
where:
Base-Base interactions energy: -262.993
where: short stacking energy: -108.843
Base-Backbone interact. energy: -0.020
local terms energy: -129.056378
where:
bonds (distance) C4'-P energy: -23.716
bonds (distance) P-C4' energy: -26.384
flat angles C4'-P-C4' energy: -30.154
flat angles P-C4'-P energy: -18.509
tors. eta vs tors. theta energy: -30.293
Dist. restrs. and SS energy: 0.242 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -387.638464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.638464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.014769 (E_RNA)
where:
Base-Base interactions energy: -263.066
where: short stacking energy: -108.257
Base-Backbone interact. energy: -0.540
local terms energy: -124.408593
where:
bonds (distance) C4'-P energy: -25.260
bonds (distance) P-C4' energy: -20.792
flat angles C4'-P-C4' energy: -29.911
flat angles P-C4'-P energy: -12.319
tors. eta vs tors. theta energy: -36.126
Dist. restrs. and SS energy: 0.376 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -346.078895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.078895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.331130 (E_RNA)
where:
Base-Base interactions energy: -230.238
where: short stacking energy: -86.617
Base-Backbone interact. energy: -0.114
local terms energy: -115.979753
where:
bonds (distance) C4'-P energy: -25.669
bonds (distance) P-C4' energy: -27.707
flat angles C4'-P-C4' energy: -27.062
flat angles P-C4'-P energy: -17.298
tors. eta vs tors. theta energy: -18.243
Dist. restrs. and SS energy: 0.252 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -360.263835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.263835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.978555 (E_RNA)
where:
Base-Base interactions energy: -252.930
where: short stacking energy: -86.811
Base-Backbone interact. energy: -0.089
local terms energy: -107.959439
where:
bonds (distance) C4'-P energy: -24.494
bonds (distance) P-C4' energy: -18.413
flat angles C4'-P-C4' energy: -26.387
flat angles P-C4'-P energy: -15.444
tors. eta vs tors. theta energy: -23.221
Dist. restrs. and SS energy: 0.715 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -343.978978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.978978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.415168 (E_RNA)
where:
Base-Base interactions energy: -236.166
where: short stacking energy: -102.773
Base-Backbone interact. energy: -0.588
local terms energy: -107.660264
where:
bonds (distance) C4'-P energy: -24.263
bonds (distance) P-C4' energy: -25.057
flat angles C4'-P-C4' energy: -23.434
flat angles P-C4'-P energy: -7.899
tors. eta vs tors. theta energy: -27.007
Dist. restrs. and SS energy: 0.436 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -320.232613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.232613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.608349 (E_RNA)
where:
Base-Base interactions energy: -224.018
where: short stacking energy: -85.306
Base-Backbone interact. energy: 0.704
local terms energy: -97.294918
where:
bonds (distance) C4'-P energy: -15.803
bonds (distance) P-C4' energy: -29.176
flat angles C4'-P-C4' energy: -21.659
flat angles P-C4'-P energy: -8.556
tors. eta vs tors. theta energy: -22.100
Dist. restrs. and SS energy: 0.376 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -305.613461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.613461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.625622 (E_RNA)
where:
Base-Base interactions energy: -202.563
where: short stacking energy: -66.729
Base-Backbone interact. energy: -0.327
local terms energy: -102.736112
where:
bonds (distance) C4'-P energy: -25.358
bonds (distance) P-C4' energy: -26.710
flat angles C4'-P-C4' energy: -23.292
flat angles P-C4'-P energy: -9.300
tors. eta vs tors. theta energy: -18.075
Dist. restrs. and SS energy: 0.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -442.065778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.065778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.695003 (E_RNA)
where:
Base-Base interactions energy: -298.835
where: short stacking energy: -117.863
Base-Backbone interact. energy: -0.661
local terms energy: -143.199133
where:
bonds (distance) C4'-P energy: -27.495
bonds (distance) P-C4' energy: -28.987
flat angles C4'-P-C4' energy: -31.194
flat angles P-C4'-P energy: -21.660
tors. eta vs tors. theta energy: -33.863
Dist. restrs. and SS energy: 0.629 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -416.469900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.469900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.335152 (E_RNA)
where:
Base-Base interactions energy: -277.834
where: short stacking energy: -114.326
Base-Backbone interact. energy: -0.311
local terms energy: -139.190483
where:
bonds (distance) C4'-P energy: -32.926
bonds (distance) P-C4' energy: -24.862
flat angles C4'-P-C4' energy: -30.147
flat angles P-C4'-P energy: -13.975
tors. eta vs tors. theta energy: -37.280
Dist. restrs. and SS energy: 0.865 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -406.613146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.613146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.772253 (E_RNA)
where:
Base-Base interactions energy: -283.371
where: short stacking energy: -112.626
Base-Backbone interact. energy: -0.976
local terms energy: -122.424773
where:
bonds (distance) C4'-P energy: -26.876
bonds (distance) P-C4' energy: -26.349
flat angles C4'-P-C4' energy: -23.937
flat angles P-C4'-P energy: -13.948
tors. eta vs tors. theta energy: -31.314
Dist. restrs. and SS energy: 0.159 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -372.234792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.234792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.387579 (E_RNA)
where:
Base-Base interactions energy: -249.256
where: short stacking energy: -100.530
Base-Backbone interact. energy: -0.301
local terms energy: -122.830695
where:
bonds (distance) C4'-P energy: -22.013
bonds (distance) P-C4' energy: -29.423
flat angles C4'-P-C4' energy: -26.286
flat angles P-C4'-P energy: -19.257
tors. eta vs tors. theta energy: -25.851
Dist. restrs. and SS energy: 0.153 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -346.039915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.039915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.306262 (E_RNA)
where:
Base-Base interactions energy: -229.598
where: short stacking energy: -88.027
Base-Backbone interact. energy: -0.031
local terms energy: -116.676922
where:
bonds (distance) C4'-P energy: -25.737
bonds (distance) P-C4' energy: -27.710
flat angles C4'-P-C4' energy: -28.188
flat angles P-C4'-P energy: -19.453
tors. eta vs tors. theta energy: -15.590
Dist. restrs. and SS energy: 0.266 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -361.387713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.387713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.067065 (E_RNA)
where:
Base-Base interactions energy: -243.984
where: short stacking energy: -107.208
Base-Backbone interact. energy: -0.975
local terms energy: -117.108375
where:
bonds (distance) C4'-P energy: -27.926
bonds (distance) P-C4' energy: -28.224
flat angles C4'-P-C4' energy: -24.289
flat angles P-C4'-P energy: -7.821
tors. eta vs tors. theta energy: -28.849
Dist. restrs. and SS energy: 0.679 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -340.396338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.396338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.446463 (E_RNA)
where:
Base-Base interactions energy: -231.196
where: short stacking energy: -92.411
Base-Backbone interact. energy: -0.546
local terms energy: -108.704783
where:
bonds (distance) C4'-P energy: -28.807
bonds (distance) P-C4' energy: -18.990
flat angles C4'-P-C4' energy: -22.292
flat angles P-C4'-P energy: -17.732
tors. eta vs tors. theta energy: -20.884
Dist. restrs. and SS energy: 0.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -351.029400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.029400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.132426 (E_RNA)
where:
Base-Base interactions energy: -237.508
where: short stacking energy: -92.420
Base-Backbone interact. energy: -0.243
local terms energy: -113.381329
where:
bonds (distance) C4'-P energy: -26.091
bonds (distance) P-C4' energy: -25.576
flat angles C4'-P-C4' energy: -20.705
flat angles P-C4'-P energy: -18.156
tors. eta vs tors. theta energy: -22.853
Dist. restrs. and SS energy: 0.103 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -314.787177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.787177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.916606 (E_RNA)
where:
Base-Base interactions energy: -212.655
where: short stacking energy: -78.212
Base-Backbone interact. energy: -0.103
local terms energy: -102.158426
where:
bonds (distance) C4'-P energy: -17.171
bonds (distance) P-C4' energy: -24.737
flat angles C4'-P-C4' energy: -28.901
flat angles P-C4'-P energy: -14.395
tors. eta vs tors. theta energy: -16.954
Dist. restrs. and SS energy: 0.129 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -332.900271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.900271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.303604 (E_RNA)
where:
Base-Base interactions energy: -226.241
where: short stacking energy: -87.718
Base-Backbone interact. energy: -0.442
local terms energy: -106.620650
where:
bonds (distance) C4'-P energy: -22.694
bonds (distance) P-C4' energy: -23.582
flat angles C4'-P-C4' energy: -21.430
flat angles P-C4'-P energy: -14.710
tors. eta vs tors. theta energy: -24.203
Dist. restrs. and SS energy: 0.403 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -438.083321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.083321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.345766 (E_RNA)
where:
Base-Base interactions energy: -306.415
where: short stacking energy: -121.788
Base-Backbone interact. energy: -0.448
local terms energy: -131.482232
where:
bonds (distance) C4'-P energy: -26.589
bonds (distance) P-C4' energy: -23.317
flat angles C4'-P-C4' energy: -29.839
flat angles P-C4'-P energy: -16.748
tors. eta vs tors. theta energy: -34.989
Dist. restrs. and SS energy: 0.262 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -414.934382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.934382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.331937 (E_RNA)
where:
Base-Base interactions energy: -281.158
where: short stacking energy: -112.434
Base-Backbone interact. energy: -0.328
local terms energy: -133.846047
where:
bonds (distance) C4'-P energy: -26.524
bonds (distance) P-C4' energy: -27.658
flat angles C4'-P-C4' energy: -25.462
flat angles P-C4'-P energy: -19.986
tors. eta vs tors. theta energy: -34.216
Dist. restrs. and SS energy: 0.398 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -400.912432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.912432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.410375 (E_RNA)
where:
Base-Base interactions energy: -268.637
where: short stacking energy: -102.488
Base-Backbone interact. energy: -1.953
local terms energy: -130.820377
where:
bonds (distance) C4'-P energy: -22.024
bonds (distance) P-C4' energy: -30.573
flat angles C4'-P-C4' energy: -29.431
flat angles P-C4'-P energy: -18.687
tors. eta vs tors. theta energy: -30.105
Dist. restrs. and SS energy: 0.498 (S_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: 479
Temperature: 1.050000
Total energy: -367.200627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.200627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.312883 (E_RNA)
where:
Base-Base interactions energy: -240.350
where: short stacking energy: -97.226
Base-Backbone interact. energy: -0.122
local terms energy: -126.840897
where:
bonds (distance) C4'-P energy: -23.723
bonds (distance) P-C4' energy: -27.314
flat angles C4'-P-C4' energy: -29.411
flat angles P-C4'-P energy: -16.635
tors. eta vs tors. theta energy: -29.757
Dist. restrs. and SS energy: 0.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -366.265023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.265023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.432809 (E_RNA)
where:
Base-Base interactions energy: -247.575
where: short stacking energy: -100.171
Base-Backbone interact. energy: -1.301
local terms energy: -117.556891
where:
bonds (distance) C4'-P energy: -27.633
bonds (distance) P-C4' energy: -28.640
flat angles C4'-P-C4' energy: -26.334
flat angles P-C4'-P energy: -8.063
tors. eta vs tors. theta energy: -26.886
Dist. restrs. and SS energy: 0.168 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -367.231479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.231479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.545017 (E_RNA)
where:
Base-Base interactions energy: -254.676
where: short stacking energy: -105.795
Base-Backbone interact. energy: -0.406
local terms energy: -112.463285
where:
bonds (distance) C4'-P energy: -27.764
bonds (distance) P-C4' energy: -16.970
flat angles C4'-P-C4' energy: -31.417
flat angles P-C4'-P energy: -11.234
tors. eta vs tors. theta energy: -25.079
Dist. restrs. and SS energy: 0.314 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -341.284089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.284089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.415700 (E_RNA)
where:
Base-Base interactions energy: -226.775
where: short stacking energy: -90.953
Base-Backbone interact. energy: -0.127
local terms energy: -114.513422
where:
bonds (distance) C4'-P energy: -24.486
bonds (distance) P-C4' energy: -21.711
flat angles C4'-P-C4' energy: -23.040
flat angles P-C4'-P energy: -21.448
tors. eta vs tors. theta energy: -23.829
Dist. restrs. and SS energy: 0.132 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -321.365981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.365981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.963813 (E_RNA)
where:
Base-Base interactions energy: -214.144
where: short stacking energy: -83.896
Base-Backbone interact. energy: -0.214
local terms energy: -107.605740
where:
bonds (distance) C4'-P energy: -19.833
bonds (distance) P-C4' energy: -27.394
flat angles C4'-P-C4' energy: -23.849
flat angles P-C4'-P energy: -15.350
tors. eta vs tors. theta energy: -21.180
Dist. restrs. and SS energy: 0.598 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -333.372116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.372116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.989073 (E_RNA)
where:
Base-Base interactions energy: -228.204
where: short stacking energy: -91.779
Base-Backbone interact. energy: -0.249
local terms energy: -105.536132
where:
bonds (distance) C4'-P energy: -23.351
bonds (distance) P-C4' energy: -21.370
flat angles C4'-P-C4' energy: -21.655
flat angles P-C4'-P energy: -17.115
tors. eta vs tors. theta energy: -22.045
Dist. restrs. and SS energy: 0.617 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -311.726195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.726195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.416353 (E_RNA)
where:
Base-Base interactions energy: -209.182
where: short stacking energy: -82.662
Base-Backbone interact. energy: 3.952
local terms energy: -107.187093
where:
bonds (distance) C4'-P energy: -23.115
bonds (distance) P-C4' energy: -20.334
flat angles C4'-P-C4' energy: -26.854
flat angles P-C4'-P energy: -16.056
tors. eta vs tors. theta energy: -20.828
Dist. restrs. and SS energy: 0.690 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -416.780158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.780158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.847088 (E_RNA)
where:
Base-Base interactions energy: -280.658
where: short stacking energy: -104.000
Base-Backbone interact. energy: -0.454
local terms energy: -135.734895
where:
bonds (distance) C4'-P energy: -25.040
bonds (distance) P-C4' energy: -29.458
flat angles C4'-P-C4' energy: -29.236
flat angles P-C4'-P energy: -21.120
tors. eta vs tors. theta energy: -30.880
Dist. restrs. and SS energy: 0.067 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -425.789215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.789215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.443428 (E_RNA)
where:
Base-Base interactions energy: -292.292
where: short stacking energy: -116.022
Base-Backbone interact. energy: 0.164
local terms energy: -134.315834
where:
bonds (distance) C4'-P energy: -23.293
bonds (distance) P-C4' energy: -29.620
flat angles C4'-P-C4' energy: -27.644
flat angles P-C4'-P energy: -20.548
tors. eta vs tors. theta energy: -33.210
Dist. restrs. and SS energy: 0.654 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -403.490785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.490785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.735987 (E_RNA)
where:
Base-Base interactions energy: -268.128
where: short stacking energy: -111.240
Base-Backbone interact. energy: -2.285
local terms energy: -133.322810
where:
bonds (distance) C4'-P energy: -27.810
bonds (distance) P-C4' energy: -25.563
flat angles C4'-P-C4' energy: -25.301
flat angles P-C4'-P energy: -21.062
tors. eta vs tors. theta energy: -33.586
Dist. restrs. and SS energy: 0.245 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -364.570269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.570269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.790387 (E_RNA)
where:
Base-Base interactions energy: -245.530
where: short stacking energy: -96.319
Base-Backbone interact. energy: 0.186
local terms energy: -119.445920
where:
bonds (distance) C4'-P energy: -27.231
bonds (distance) P-C4' energy: -24.683
flat angles C4'-P-C4' energy: -25.571
flat angles P-C4'-P energy: -17.178
tors. eta vs tors. theta energy: -24.784
Dist. restrs. and SS energy: 0.220 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -361.028361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.028361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.234781 (E_RNA)
where:
Base-Base interactions energy: -250.181
where: short stacking energy: -100.940
Base-Backbone interact. energy: -0.126
local terms energy: -110.927514
where:
bonds (distance) C4'-P energy: -25.973
bonds (distance) P-C4' energy: -14.662
flat angles C4'-P-C4' energy: -26.432
flat angles P-C4'-P energy: -14.318
tors. eta vs tors. theta energy: -29.542
Dist. restrs. and SS energy: 0.206 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -371.217868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.217868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.743381 (E_RNA)
where:
Base-Base interactions energy: -254.777
where: short stacking energy: -97.241
Base-Backbone interact. energy: -0.147
local terms energy: -116.819881
where:
bonds (distance) C4'-P energy: -21.493
bonds (distance) P-C4' energy: -21.656
flat angles C4'-P-C4' energy: -26.361
flat angles P-C4'-P energy: -20.309
tors. eta vs tors. theta energy: -27.000
Dist. restrs. and SS energy: 0.526 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -349.936022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.936022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.783995 (E_RNA)
where:
Base-Base interactions energy: -227.446
where: short stacking energy: -95.218
Base-Backbone interact. energy: -0.280
local terms energy: -123.058233
where:
bonds (distance) C4'-P energy: -24.684
bonds (distance) P-C4' energy: -26.026
flat angles C4'-P-C4' energy: -27.450
flat angles P-C4'-P energy: -14.978
tors. eta vs tors. theta energy: -29.921
Dist. restrs. and SS energy: 0.848 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -320.686878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.686878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.730368 (E_RNA)
where:
Base-Base interactions energy: -215.996
where: short stacking energy: -73.075
Base-Backbone interact. energy: 1.524
local terms energy: -106.258879
where:
bonds (distance) C4'-P energy: -28.891
bonds (distance) P-C4' energy: -24.594
flat angles C4'-P-C4' energy: -15.937
flat angles P-C4'-P energy: -17.634
tors. eta vs tors. theta energy: -19.202
Dist. restrs. and SS energy: 0.043 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -321.876892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.876892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.306563 (E_RNA)
where:
Base-Base interactions energy: -225.907
where: short stacking energy: -95.198
Base-Backbone interact. energy: -0.868
local terms energy: -95.531675
where:
bonds (distance) C4'-P energy: -15.267
bonds (distance) P-C4' energy: -20.622
flat angles C4'-P-C4' energy: -26.149
flat angles P-C4'-P energy: -8.679
tors. eta vs tors. theta energy: -24.816
Dist. restrs. and SS energy: 0.430 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -332.264263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.264263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.767790 (E_RNA)
where:
Base-Base interactions energy: -227.432
where: short stacking energy: -86.119
Base-Backbone interact. energy: 1.922
local terms energy: -107.257766
where:
bonds (distance) C4'-P energy: -17.878
bonds (distance) P-C4' energy: -23.908
flat angles C4'-P-C4' energy: -24.597
flat angles P-C4'-P energy: -13.952
tors. eta vs tors. theta energy: -26.922
Dist. restrs. and SS energy: 0.504 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -418.190425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.190425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.235156 (E_RNA)
where:
Base-Base interactions energy: -278.790
where: short stacking energy: -112.687
Base-Backbone interact. energy: -0.091
local terms energy: -139.354684
where:
bonds (distance) C4'-P energy: -26.260
bonds (distance) P-C4' energy: -27.417
flat angles C4'-P-C4' energy: -28.934
flat angles P-C4'-P energy: -21.255
tors. eta vs tors. theta energy: -35.490
Dist. restrs. and SS energy: 0.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -430.763489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.763489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.835995 (E_RNA)
where:
Base-Base interactions energy: -302.903
where: short stacking energy: -119.068
Base-Backbone interact. energy: -0.444
local terms energy: -127.488039
where:
bonds (distance) C4'-P energy: -28.472
bonds (distance) P-C4' energy: -22.544
flat angles C4'-P-C4' energy: -28.673
flat angles P-C4'-P energy: -15.449
tors. eta vs tors. theta energy: -32.351
Dist. restrs. and SS energy: 0.073 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -402.891739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.891739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.143317 (E_RNA)
where:
Base-Base interactions energy: -277.055
where: short stacking energy: -113.509
Base-Backbone interact. energy: -0.297
local terms energy: -125.791226
where:
bonds (distance) C4'-P energy: -24.964
bonds (distance) P-C4' energy: -26.402
flat angles C4'-P-C4' energy: -22.687
flat angles P-C4'-P energy: -18.754
tors. eta vs tors. theta energy: -32.984
Dist. restrs. and SS energy: 0.252 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -378.262720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.262720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.402657 (E_RNA)
where:
Base-Base interactions energy: -247.148
where: short stacking energy: -96.575
Base-Backbone interact. energy: 1.827
local terms energy: -133.081704
where:
bonds (distance) C4'-P energy: -22.305
bonds (distance) P-C4' energy: -30.671
flat angles C4'-P-C4' energy: -29.329
flat angles P-C4'-P energy: -22.518
tors. eta vs tors. theta energy: -28.259
Dist. restrs. and SS energy: 0.140 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -367.446206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.446206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.040574 (E_RNA)
where:
Base-Base interactions energy: -253.312
where: short stacking energy: -109.015
Base-Backbone interact. energy: -0.168
local terms energy: -114.559930
where:
bonds (distance) C4'-P energy: -19.083
bonds (distance) P-C4' energy: -25.753
flat angles C4'-P-C4' energy: -31.022
flat angles P-C4'-P energy: -10.439
tors. eta vs tors. theta energy: -28.263
Dist. restrs. and SS energy: 0.594 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -350.939716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.939716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.129333 (E_RNA)
where:
Base-Base interactions energy: -247.219
where: short stacking energy: -90.281
Base-Backbone interact. energy: -0.403
local terms energy: -103.507028
where:
bonds (distance) C4'-P energy: -18.701
bonds (distance) P-C4' energy: -18.673
flat angles C4'-P-C4' energy: -28.614
flat angles P-C4'-P energy: -13.734
tors. eta vs tors. theta energy: -23.784
Dist. restrs. and SS energy: 0.190 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -358.949385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.949385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.048563 (E_RNA)
where:
Base-Base interactions energy: -242.661
where: short stacking energy: -94.949
Base-Backbone interact. energy: -0.316
local terms energy: -116.071490
where:
bonds (distance) C4'-P energy: -22.220
bonds (distance) P-C4' energy: -26.986
flat angles C4'-P-C4' energy: -25.041
flat angles P-C4'-P energy: -10.292
tors. eta vs tors. theta energy: -31.531
Dist. restrs. and SS energy: 0.099 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -337.981904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.981904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.098105 (E_RNA)
where:
Base-Base interactions energy: -224.596
where: short stacking energy: -82.642
Base-Backbone interact. energy: 0.626
local terms energy: -114.128461
where:
bonds (distance) C4'-P energy: -22.783
bonds (distance) P-C4' energy: -20.669
flat angles C4'-P-C4' energy: -25.702
flat angles P-C4'-P energy: -17.996
tors. eta vs tors. theta energy: -26.979
Dist. restrs. and SS energy: 0.116 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -327.867058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.867058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.207805 (E_RNA)
where:
Base-Base interactions energy: -222.939
where: short stacking energy: -85.154
Base-Backbone interact. energy: -1.429
local terms energy: -103.839545
where:
bonds (distance) C4'-P energy: -29.685
bonds (distance) P-C4' energy: -23.237
flat angles C4'-P-C4' energy: -21.382
flat angles P-C4'-P energy: -8.747
tors. eta vs tors. theta energy: -20.788
Dist. restrs. and SS energy: 0.341 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -322.434498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.434498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.527194 (E_RNA)
where:
Base-Base interactions energy: -231.468
where: short stacking energy: -84.144
Base-Backbone interact. energy: -0.142
local terms energy: -90.917366
where:
bonds (distance) C4'-P energy: -15.673
bonds (distance) P-C4' energy: -25.103
flat angles C4'-P-C4' energy: -13.064
flat angles P-C4'-P energy: -13.348
tors. eta vs tors. theta energy: -23.729
Dist. restrs. and SS energy: 0.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -439.406513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.406513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.475209 (E_RNA)
where:
Base-Base interactions energy: -301.098
where: short stacking energy: -115.520
Base-Backbone interact. energy: -0.594
local terms energy: -137.783499
where:
bonds (distance) C4'-P energy: -30.183
bonds (distance) P-C4' energy: -31.257
flat angles C4'-P-C4' energy: -26.981
flat angles P-C4'-P energy: -14.187
tors. eta vs tors. theta energy: -35.177
Dist. restrs. and SS energy: 0.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -417.953753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.953753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.254908 (E_RNA)
where:
Base-Base interactions energy: -287.627
where: short stacking energy: -111.900
Base-Backbone interact. energy: -0.211
local terms energy: -130.416595
where:
bonds (distance) C4'-P energy: -28.795
bonds (distance) P-C4' energy: -24.133
flat angles C4'-P-C4' energy: -31.869
flat angles P-C4'-P energy: -18.419
tors. eta vs tors. theta energy: -27.200
Dist. restrs. and SS energy: 0.301 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -408.617723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.617723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.713705 (E_RNA)
where:
Base-Base interactions energy: -285.480
where: short stacking energy: -113.481
Base-Backbone interact. energy: -0.439
local terms energy: -122.794288
where:
bonds (distance) C4'-P energy: -23.736
bonds (distance) P-C4' energy: -25.536
flat angles C4'-P-C4' energy: -24.970
flat angles P-C4'-P energy: -13.180
tors. eta vs tors. theta energy: -35.372
Dist. restrs. and SS energy: 0.096 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -377.490143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.490143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.632249 (E_RNA)
where:
Base-Base interactions energy: -244.578
where: short stacking energy: -102.816
Base-Backbone interact. energy: -0.374
local terms energy: -132.679803
where:
bonds (distance) C4'-P energy: -30.365
bonds (distance) P-C4' energy: -26.715
flat angles C4'-P-C4' energy: -32.173
flat angles P-C4'-P energy: -14.375
tors. eta vs tors. theta energy: -29.053
Dist. restrs. and SS energy: 0.142 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -369.697530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.697530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.782607 (E_RNA)
where:
Base-Base interactions energy: -240.665
where: short stacking energy: -98.924
Base-Backbone interact. energy: -0.999
local terms energy: -128.117998
where:
bonds (distance) C4'-P energy: -21.796
bonds (distance) P-C4' energy: -29.017
flat angles C4'-P-C4' energy: -28.706
flat angles P-C4'-P energy: -20.038
tors. eta vs tors. theta energy: -28.561
Dist. restrs. and SS energy: 0.085 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -370.227818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.227818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.276311 (E_RNA)
where:
Base-Base interactions energy: -254.227
where: short stacking energy: -104.193
Base-Backbone interact. energy: 0.021
local terms energy: -116.070004
where:
bonds (distance) C4'-P energy: -26.593
bonds (distance) P-C4' energy: -24.967
flat angles C4'-P-C4' energy: -25.822
flat angles P-C4'-P energy: -12.522
tors. eta vs tors. theta energy: -26.166
Dist. restrs. and SS energy: 0.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -352.924666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.924666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.388102 (E_RNA)
where:
Base-Base interactions energy: -246.192
where: short stacking energy: -87.045
Base-Backbone interact. energy: -0.472
local terms energy: -106.724156
where:
bonds (distance) C4'-P energy: -19.213
bonds (distance) P-C4' energy: -23.894
flat angles C4'-P-C4' energy: -27.735
flat angles P-C4'-P energy: -13.647
tors. eta vs tors. theta energy: -22.235
Dist. restrs. and SS energy: 0.463 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -338.929362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.929362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.344570 (E_RNA)
where:
Base-Base interactions energy: -218.791
where: short stacking energy: -95.479
Base-Backbone interact. energy: -0.164
local terms energy: -120.389753
where:
bonds (distance) C4'-P energy: -29.782
bonds (distance) P-C4' energy: -25.974
flat angles C4'-P-C4' energy: -23.607
flat angles P-C4'-P energy: -17.179
tors. eta vs tors. theta energy: -23.848
Dist. restrs. and SS energy: 0.415 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -330.022619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.022619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.380491 (E_RNA)
where:
Base-Base interactions energy: -217.572
where: short stacking energy: -91.613
Base-Backbone interact. energy: -1.980
local terms energy: -110.827685
where:
bonds (distance) C4'-P energy: -22.124
bonds (distance) P-C4' energy: -30.615
flat angles C4'-P-C4' energy: -17.814
flat angles P-C4'-P energy: -13.649
tors. eta vs tors. theta energy: -26.626
Dist. restrs. and SS energy: 0.358 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -340.747397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.747397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.803139 (E_RNA)
where:
Base-Base interactions energy: -231.581
where: short stacking energy: -94.076
Base-Backbone interact. energy: -0.182
local terms energy: -109.040947
where:
bonds (distance) C4'-P energy: -21.740
bonds (distance) P-C4' energy: -22.081
flat angles C4'-P-C4' energy: -27.827
flat angles P-C4'-P energy: -10.802
tors. eta vs tors. theta energy: -26.591
Dist. restrs. and SS energy: 0.056 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -443.612906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.612906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.823093 (E_RNA)
where:
Base-Base interactions energy: -308.524
where: short stacking energy: -121.727
Base-Backbone interact. energy: -0.315
local terms energy: -134.984081
where:
bonds (distance) C4'-P energy: -25.487
bonds (distance) P-C4' energy: -29.480
flat angles C4'-P-C4' energy: -26.118
flat angles P-C4'-P energy: -18.578
tors. eta vs tors. theta energy: -35.320
Dist. restrs. and SS energy: 0.210 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -402.772786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.772786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.412266 (E_RNA)
where:
Base-Base interactions energy: -273.072
where: short stacking energy: -107.641
Base-Backbone interact. energy: -0.232
local terms energy: -130.107666
where:
bonds (distance) C4'-P energy: -32.712
bonds (distance) P-C4' energy: -24.239
flat angles C4'-P-C4' energy: -27.524
flat angles P-C4'-P energy: -15.884
tors. eta vs tors. theta energy: -29.749
Dist. restrs. and SS energy: 0.639 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -412.514904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.514904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.585991 (E_RNA)
where:
Base-Base interactions energy: -275.311
where: short stacking energy: -111.741
Base-Backbone interact. energy: -0.087
local terms energy: -137.188151
where:
bonds (distance) C4'-P energy: -25.285
bonds (distance) P-C4' energy: -27.373
flat angles C4'-P-C4' energy: -25.886
flat angles P-C4'-P energy: -19.474
tors. eta vs tors. theta energy: -39.169
Dist. restrs. and SS energy: 0.071 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -378.012830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.012830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.163265 (E_RNA)
where:
Base-Base interactions energy: -247.424
where: short stacking energy: -105.462
Base-Backbone interact. energy: -0.234
local terms energy: -130.505015
where:
bonds (distance) C4'-P energy: -33.321
bonds (distance) P-C4' energy: -26.875
flat angles C4'-P-C4' energy: -22.564
flat angles P-C4'-P energy: -15.386
tors. eta vs tors. theta energy: -32.359
Dist. restrs. and SS energy: 0.150 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -376.120935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.120935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.267341 (E_RNA)
where:
Base-Base interactions energy: -249.018
where: short stacking energy: -110.820
Base-Backbone interact. energy: -0.097
local terms energy: -127.152673
where:
bonds (distance) C4'-P energy: -27.669
bonds (distance) P-C4' energy: -28.188
flat angles C4'-P-C4' energy: -25.624
flat angles P-C4'-P energy: -16.788
tors. eta vs tors. theta energy: -28.884
Dist. restrs. and SS energy: 0.146 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -357.771227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.771227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.038488 (E_RNA)
where:
Base-Base interactions energy: -248.516
where: short stacking energy: -107.923
Base-Backbone interact. energy: 2.109
local terms energy: -111.631558
where:
bonds (distance) C4'-P energy: -19.864
bonds (distance) P-C4' energy: -21.263
flat angles C4'-P-C4' energy: -22.693
flat angles P-C4'-P energy: -22.390
tors. eta vs tors. theta energy: -25.422
Dist. restrs. and SS energy: 0.267 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -346.626827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.626827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.956819 (E_RNA)
where:
Base-Base interactions energy: -231.993
where: short stacking energy: -94.436
Base-Backbone interact. energy: -0.570
local terms energy: -114.394361
where:
bonds (distance) C4'-P energy: -17.832
bonds (distance) P-C4' energy: -31.065
flat angles C4'-P-C4' energy: -31.121
flat angles P-C4'-P energy: -8.458
tors. eta vs tors. theta energy: -25.918
Dist. restrs. and SS energy: 0.330 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -327.624251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.624251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.993479 (E_RNA)
where:
Base-Base interactions energy: -227.787
where: short stacking energy: -86.803
Base-Backbone interact. energy: 0.188
local terms energy: -100.394434
where:
bonds (distance) C4'-P energy: -22.350
bonds (distance) P-C4' energy: -24.509
flat angles C4'-P-C4' energy: -24.424
flat angles P-C4'-P energy: -9.169
tors. eta vs tors. theta energy: -19.943
Dist. restrs. and SS energy: 0.369 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -319.785971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.785971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.983841 (E_RNA)
where:
Base-Base interactions energy: -218.237
where: short stacking energy: -84.937
Base-Backbone interact. energy: 0.474
local terms energy: -102.220418
where:
bonds (distance) C4'-P energy: -21.646
bonds (distance) P-C4' energy: -22.674
flat angles C4'-P-C4' energy: -26.847
flat angles P-C4'-P energy: -10.027
tors. eta vs tors. theta energy: -21.026
Dist. restrs. and SS energy: 0.198 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -342.392333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.392333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.691346 (E_RNA)
where:
Base-Base interactions energy: -225.916
where: short stacking energy: -95.477
Base-Backbone interact. energy: -0.035
local terms energy: -116.739838
where:
bonds (distance) C4'-P energy: -31.114
bonds (distance) P-C4' energy: -25.201
flat angles C4'-P-C4' energy: -22.260
flat angles P-C4'-P energy: -13.342
tors. eta vs tors. theta energy: -24.822
Dist. restrs. and SS energy: 0.299 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -431.941839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.941839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.077708 (E_RNA)
where:
Base-Base interactions energy: -308.195
where: short stacking energy: -111.564
Base-Backbone interact. energy: -0.255
local terms energy: -123.627853
where:
bonds (distance) C4'-P energy: -24.099
bonds (distance) P-C4' energy: -25.552
flat angles C4'-P-C4' energy: -26.713
flat angles P-C4'-P energy: -19.031
tors. eta vs tors. theta energy: -28.233
Dist. restrs. and SS energy: 0.136 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -413.498231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.498231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.785226 (E_RNA)
where:
Base-Base interactions energy: -286.271
where: short stacking energy: -131.662
Base-Backbone interact. energy: -0.190
local terms energy: -127.323955
where:
bonds (distance) C4'-P energy: -24.453
bonds (distance) P-C4' energy: -24.002
flat angles C4'-P-C4' energy: -29.548
flat angles P-C4'-P energy: -16.232
tors. eta vs tors. theta energy: -33.089
Dist. restrs. and SS energy: 0.287 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -375.001534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.001534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.191023 (E_RNA)
where:
Base-Base interactions energy: -251.725
where: short stacking energy: -115.688
Base-Backbone interact. energy: -0.327
local terms energy: -123.138897
where:
bonds (distance) C4'-P energy: -17.146
bonds (distance) P-C4' energy: -29.252
flat angles C4'-P-C4' energy: -30.301
flat angles P-C4'-P energy: -17.665
tors. eta vs tors. theta energy: -28.775
Dist. restrs. and SS energy: 0.189 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -402.587757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.587757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.863212 (E_RNA)
where:
Base-Base interactions energy: -274.796
where: short stacking energy: -107.093
Base-Backbone interact. energy: -0.047
local terms energy: -128.020803
where:
bonds (distance) C4'-P energy: -28.212
bonds (distance) P-C4' energy: -26.668
flat angles C4'-P-C4' energy: -25.966
flat angles P-C4'-P energy: -19.967
tors. eta vs tors. theta energy: -27.207
Dist. restrs. and SS energy: 0.275 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -387.036358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.036358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.145545 (E_RNA)
where:
Base-Base interactions energy: -273.809
where: short stacking energy: -109.097
Base-Backbone interact. energy: -0.938
local terms energy: -112.398366
where:
bonds (distance) C4'-P energy: -17.683
bonds (distance) P-C4' energy: -21.928
flat angles C4'-P-C4' energy: -28.352
flat angles P-C4'-P energy: -18.659
tors. eta vs tors. theta energy: -25.777
Dist. restrs. and SS energy: 0.109 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -355.489084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.489084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.888986 (E_RNA)
where:
Base-Base interactions energy: -237.928
where: short stacking energy: -97.426
Base-Backbone interact. energy: 1.214
local terms energy: -119.175151
where:
bonds (distance) C4'-P energy: -27.881
bonds (distance) P-C4' energy: -30.365
flat angles C4'-P-C4' energy: -26.557
flat angles P-C4'-P energy: -7.026
tors. eta vs tors. theta energy: -27.345
Dist. restrs. and SS energy: 0.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -339.602284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.602284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.841490 (E_RNA)
where:
Base-Base interactions energy: -219.982
where: short stacking energy: -92.318
Base-Backbone interact. energy: 0.283
local terms energy: -120.142511
where:
bonds (distance) C4'-P energy: -20.206
bonds (distance) P-C4' energy: -30.513
flat angles C4'-P-C4' energy: -25.398
flat angles P-C4'-P energy: -17.777
tors. eta vs tors. theta energy: -26.249
Dist. restrs. and SS energy: 0.239 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -340.916459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.916459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.576122 (E_RNA)
where:
Base-Base interactions energy: -228.258
where: short stacking energy: -96.480
Base-Backbone interact. energy: -1.786
local terms energy: -111.531822
where:
bonds (distance) C4'-P energy: -17.482
bonds (distance) P-C4' energy: -24.427
flat angles C4'-P-C4' energy: -24.788
flat angles P-C4'-P energy: -18.331
tors. eta vs tors. theta energy: -26.504
Dist. restrs. and SS energy: 0.660 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -342.881171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.881171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.451142 (E_RNA)
where:
Base-Base interactions energy: -240.918
where: short stacking energy: -102.938
Base-Backbone interact. energy: 2.562
local terms energy: -105.094955
where:
bonds (distance) C4'-P energy: -22.876
bonds (distance) P-C4' energy: -20.313
flat angles C4'-P-C4' energy: -22.144
flat angles P-C4'-P energy: -10.944
tors. eta vs tors. theta energy: -28.817
Dist. restrs. and SS energy: 0.570 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -325.369547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.369547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.827829 (E_RNA)
where:
Base-Base interactions energy: -224.704
where: short stacking energy: -82.100
Base-Backbone interact. energy: 0.221
local terms energy: -101.345185
where:
bonds (distance) C4'-P energy: -12.798
bonds (distance) P-C4' energy: -20.384
flat angles C4'-P-C4' energy: -23.139
flat angles P-C4'-P energy: -15.708
tors. eta vs tors. theta energy: -29.316
Dist. restrs. and SS energy: 0.458 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -443.453506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.453506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.606771 (E_RNA)
where:
Base-Base interactions energy: -311.243
where: short stacking energy: -102.108
Base-Backbone interact. energy: -0.564
local terms energy: -131.799283
where:
bonds (distance) C4'-P energy: -28.101
bonds (distance) P-C4' energy: -28.142
flat angles C4'-P-C4' energy: -25.863
flat angles P-C4'-P energy: -16.205
tors. eta vs tors. theta energy: -33.489
Dist. restrs. and SS energy: 0.153 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -408.198731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.198731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.483050 (E_RNA)
where:
Base-Base interactions energy: -284.302
where: short stacking energy: -119.017
Base-Backbone interact. energy: -0.427
local terms energy: -123.754893
where:
bonds (distance) C4'-P energy: -21.265
bonds (distance) P-C4' energy: -27.498
flat angles C4'-P-C4' energy: -28.549
flat angles P-C4'-P energy: -17.974
tors. eta vs tors. theta energy: -28.469
Dist. restrs. and SS energy: 0.284 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -393.656457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.656457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.847074 (E_RNA)
where:
Base-Base interactions energy: -256.612
where: short stacking energy: -115.260
Base-Backbone interact. energy: 0.777
local terms energy: -138.012689
where:
bonds (distance) C4'-P energy: -29.143
bonds (distance) P-C4' energy: -30.248
flat angles C4'-P-C4' energy: -28.054
flat angles P-C4'-P energy: -19.866
tors. eta vs tors. theta energy: -30.701
Dist. restrs. and SS energy: 0.191 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -400.997705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.997705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.684236 (E_RNA)
where:
Base-Base interactions energy: -279.351
where: short stacking energy: -114.348
Base-Backbone interact. energy: 1.437
local terms energy: -123.769650
where:
bonds (distance) C4'-P energy: -21.153
bonds (distance) P-C4' energy: -25.813
flat angles C4'-P-C4' energy: -27.613
flat angles P-C4'-P energy: -17.252
tors. eta vs tors. theta energy: -31.938
Dist. restrs. and SS energy: 0.687 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -385.728622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.728622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.828503 (E_RNA)
where:
Base-Base interactions energy: -257.004
where: short stacking energy: -100.846
Base-Backbone interact. energy: -0.280
local terms energy: -128.544323
where:
bonds (distance) C4'-P energy: -20.617
bonds (distance) P-C4' energy: -29.041
flat angles C4'-P-C4' energy: -28.994
flat angles P-C4'-P energy: -21.693
tors. eta vs tors. theta energy: -28.199
Dist. restrs. and SS energy: 0.100 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -361.483964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.483964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.548844 (E_RNA)
where:
Base-Base interactions energy: -244.941
where: short stacking energy: -108.225
Base-Backbone interact. energy: -1.060
local terms energy: -115.548054
where:
bonds (distance) C4'-P energy: -19.439
bonds (distance) P-C4' energy: -21.443
flat angles C4'-P-C4' energy: -31.204
flat angles P-C4'-P energy: -17.469
tors. eta vs tors. theta energy: -25.993
Dist. restrs. and SS energy: 0.065 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -331.806692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.806692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.054747 (E_RNA)
where:
Base-Base interactions energy: -221.227
where: short stacking energy: -83.874
Base-Backbone interact. energy: 5.483
local terms energy: -116.310884
where:
bonds (distance) C4'-P energy: -23.434
bonds (distance) P-C4' energy: -27.729
flat angles C4'-P-C4' energy: -25.775
flat angles P-C4'-P energy: -20.267
tors. eta vs tors. theta energy: -19.106
Dist. restrs. and SS energy: 0.248 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -351.694230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.694230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.113156 (E_RNA)
where:
Base-Base interactions energy: -245.696
where: short stacking energy: -103.922
Base-Backbone interact. energy: 0.054
local terms energy: -106.471238
where:
bonds (distance) C4'-P energy: -16.312
bonds (distance) P-C4' energy: -22.414
flat angles C4'-P-C4' energy: -28.097
flat angles P-C4'-P energy: -9.140
tors. eta vs tors. theta energy: -30.508
Dist. restrs. and SS energy: 0.419 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -327.180844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.180844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.523082 (E_RNA)
where:
Base-Base interactions energy: -229.137
where: short stacking energy: -96.426
Base-Backbone interact. energy: -0.244
local terms energy: -98.142125
where:
bonds (distance) C4'-P energy: -21.158
bonds (distance) P-C4' energy: -15.289
flat angles C4'-P-C4' energy: -26.084
flat angles P-C4'-P energy: -5.309
tors. eta vs tors. theta energy: -30.302
Dist. restrs. and SS energy: 0.342 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -325.098456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.098456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.510494 (E_RNA)
where:
Base-Base interactions energy: -215.017
where: short stacking energy: -80.500
Base-Backbone interact. energy: 0.639
local terms energy: -111.132444
where:
bonds (distance) C4'-P energy: -23.478
bonds (distance) P-C4' energy: -21.642
flat angles C4'-P-C4' energy: -24.976
flat angles P-C4'-P energy: -20.388
tors. eta vs tors. theta energy: -20.649
Dist. restrs. and SS energy: 0.412 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -442.645612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.645612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.676624 (E_RNA)
where:
Base-Base interactions energy: -306.265
where: short stacking energy: -108.611
Base-Backbone interact. energy: -0.785
local terms energy: -135.626687
where:
bonds (distance) C4'-P energy: -32.033
bonds (distance) P-C4' energy: -22.614
flat angles C4'-P-C4' energy: -31.922
flat angles P-C4'-P energy: -14.951
tors. eta vs tors. theta energy: -34.107
Dist. restrs. and SS energy: 0.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -398.656851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.656851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.738498 (E_RNA)
where:
Base-Base interactions energy: -269.809
where: short stacking energy: -113.479
Base-Backbone interact. energy: 2.329
local terms energy: -131.258067
where:
bonds (distance) C4'-P energy: -22.590
bonds (distance) P-C4' energy: -24.172
flat angles C4'-P-C4' energy: -28.963
flat angles P-C4'-P energy: -24.089
tors. eta vs tors. theta energy: -31.444
Dist. restrs. and SS energy: 0.082 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -398.686775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.686775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.922993 (E_RNA)
where:
Base-Base interactions energy: -275.473
where: short stacking energy: -102.776
Base-Backbone interact. energy: 0.857
local terms energy: -124.306899
where:
bonds (distance) C4'-P energy: -26.820
bonds (distance) P-C4' energy: -30.364
flat angles C4'-P-C4' energy: -27.753
flat angles P-C4'-P energy: -12.843
tors. eta vs tors. theta energy: -26.527
Dist. restrs. and SS energy: 0.236 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -378.922929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.922929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.320850 (E_RNA)
where:
Base-Base interactions energy: -256.491
where: short stacking energy: -105.735
Base-Backbone interact. energy: -0.400
local terms energy: -122.429445
where:
bonds (distance) C4'-P energy: -21.342
bonds (distance) P-C4' energy: -27.666
flat angles C4'-P-C4' energy: -26.769
flat angles P-C4'-P energy: -16.036
tors. eta vs tors. theta energy: -30.616
Dist. restrs. and SS energy: 0.398 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -373.720944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.720944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.957155 (E_RNA)
where:
Base-Base interactions energy: -246.283
where: short stacking energy: -100.832
Base-Backbone interact. energy: -0.899
local terms energy: -126.775127
where:
bonds (distance) C4'-P energy: -26.999
bonds (distance) P-C4' energy: -27.536
flat angles C4'-P-C4' energy: -25.583
flat angles P-C4'-P energy: -18.793
tors. eta vs tors. theta energy: -27.863
Dist. restrs. and SS energy: 0.236 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -370.817284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.817284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.023549 (E_RNA)
where:
Base-Base interactions energy: -248.335
where: short stacking energy: -101.348
Base-Backbone interact. energy: -0.696
local terms energy: -121.992961
where:
bonds (distance) C4'-P energy: -18.838
bonds (distance) P-C4' energy: -23.117
flat angles C4'-P-C4' energy: -29.765
flat angles P-C4'-P energy: -18.031
tors. eta vs tors. theta energy: -32.243
Dist. restrs. and SS energy: 0.206 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -354.344614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.344614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.388401 (E_RNA)
where:
Base-Base interactions energy: -249.803
where: short stacking energy: -99.252
Base-Backbone interact. energy: -0.315
local terms energy: -104.270325
where:
bonds (distance) C4'-P energy: -17.951
bonds (distance) P-C4' energy: -18.707
flat angles C4'-P-C4' energy: -27.836
flat angles P-C4'-P energy: -11.563
tors. eta vs tors. theta energy: -28.214
Dist. restrs. and SS energy: 0.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -338.680243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.680243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.799804 (E_RNA)
where:
Base-Base interactions energy: -229.090
where: short stacking energy: -87.948
Base-Backbone interact. energy: -1.292
local terms energy: -108.418252
where:
bonds (distance) C4'-P energy: -19.980
bonds (distance) P-C4' energy: -27.157
flat angles C4'-P-C4' energy: -25.473
flat angles P-C4'-P energy: -13.361
tors. eta vs tors. theta energy: -22.447
Dist. restrs. and SS energy: 0.120 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -323.998618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.998618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.308895 (E_RNA)
where:
Base-Base interactions energy: -223.111
where: short stacking energy: -85.603
Base-Backbone interact. energy: 0.365
local terms energy: -101.562347
where:
bonds (distance) C4'-P energy: -15.660
bonds (distance) P-C4' energy: -19.972
flat angles C4'-P-C4' energy: -18.498
flat angles P-C4'-P energy: -19.987
tors. eta vs tors. theta energy: -27.446
Dist. restrs. and SS energy: 0.310 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -337.311729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.311729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.485439 (E_RNA)
where:
Base-Base interactions energy: -223.145
where: short stacking energy: -91.815
Base-Backbone interact. energy: -0.133
local terms energy: -114.207678
where:
bonds (distance) C4'-P energy: -17.228
bonds (distance) P-C4' energy: -28.710
flat angles C4'-P-C4' energy: -29.168
flat angles P-C4'-P energy: -12.272
tors. eta vs tors. theta energy: -26.829
Dist. restrs. and SS energy: 0.174 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -442.627410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.627410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.963546 (E_RNA)
where:
Base-Base interactions energy: -312.566
where: short stacking energy: -119.872
Base-Backbone interact. energy: -0.504
local terms energy: -129.893750
where:
bonds (distance) C4'-P energy: -21.783
bonds (distance) P-C4' energy: -23.484
flat angles C4'-P-C4' energy: -26.349
flat angles P-C4'-P energy: -21.649
tors. eta vs tors. theta energy: -36.628
Dist. restrs. and SS energy: 0.336 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -403.131365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.131365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.415777 (E_RNA)
where:
Base-Base interactions energy: -265.469
where: short stacking energy: -103.079
Base-Backbone interact. energy: -0.267
local terms energy: -137.680351
where:
bonds (distance) C4'-P energy: -25.814
bonds (distance) P-C4' energy: -27.574
flat angles C4'-P-C4' energy: -30.441
flat angles P-C4'-P energy: -22.254
tors. eta vs tors. theta energy: -31.598
Dist. restrs. and SS energy: 0.284 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -387.579944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.579944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.798698 (E_RNA)
where:
Base-Base interactions energy: -264.711
where: short stacking energy: -99.594
Base-Backbone interact. energy: -0.063
local terms energy: -123.024401
where:
bonds (distance) C4'-P energy: -19.108
bonds (distance) P-C4' energy: -25.633
flat angles C4'-P-C4' energy: -29.806
flat angles P-C4'-P energy: -17.858
tors. eta vs tors. theta energy: -30.619
Dist. restrs. and SS energy: 0.219 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -377.948428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.948428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.093689 (E_RNA)
where:
Base-Base interactions energy: -243.492
where: short stacking energy: -101.736
Base-Backbone interact. energy: -1.254
local terms energy: -133.347377
where:
bonds (distance) C4'-P energy: -28.298
bonds (distance) P-C4' energy: -26.992
flat angles C4'-P-C4' energy: -29.759
flat angles P-C4'-P energy: -20.390
tors. eta vs tors. theta energy: -27.908
Dist. restrs. and SS energy: 0.145 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -381.748945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.748945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.883595 (E_RNA)
where:
Base-Base interactions energy: -256.154
where: short stacking energy: -91.514
Base-Backbone interact. energy: -0.255
local terms energy: -125.474857
where:
bonds (distance) C4'-P energy: -28.597
bonds (distance) P-C4' energy: -25.765
flat angles C4'-P-C4' energy: -26.895
flat angles P-C4'-P energy: -19.020
tors. eta vs tors. theta energy: -25.198
Dist. restrs. and SS energy: 0.135 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -373.650349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.650349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.650349 (E_RNA)
where:
Base-Base interactions energy: -256.529
where: short stacking energy: -108.417
Base-Backbone interact. energy: -2.294
local terms energy: -114.826731
where:
bonds (distance) C4'-P energy: -19.986
bonds (distance) P-C4' energy: -21.327
flat angles C4'-P-C4' energy: -28.296
flat angles P-C4'-P energy: -15.658
tors. eta vs tors. theta energy: -29.561
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -353.556765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.556765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.858839 (E_RNA)
where:
Base-Base interactions energy: -248.198
where: short stacking energy: -102.703
Base-Backbone interact. energy: 2.290
local terms energy: -107.951032
where:
bonds (distance) C4'-P energy: -16.108
bonds (distance) P-C4' energy: -16.029
flat angles C4'-P-C4' energy: -27.152
flat angles P-C4'-P energy: -16.363
tors. eta vs tors. theta energy: -32.298
Dist. restrs. and SS energy: 0.302 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -352.308438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.308438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.527551 (E_RNA)
where:
Base-Base interactions energy: -244.539
where: short stacking energy: -95.669
Base-Backbone interact. energy: -0.914
local terms energy: -107.073756
where:
bonds (distance) C4'-P energy: -20.466
bonds (distance) P-C4' energy: -27.380
flat angles C4'-P-C4' energy: -23.532
flat angles P-C4'-P energy: -9.630
tors. eta vs tors. theta energy: -26.066
Dist. restrs. and SS energy: 0.219 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -322.100817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.100817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.271784 (E_RNA)
where:
Base-Base interactions energy: -215.957
where: short stacking energy: -82.194
Base-Backbone interact. energy: -0.222
local terms energy: -106.092127
where:
bonds (distance) C4'-P energy: -23.472
bonds (distance) P-C4' energy: -30.154
flat angles C4'-P-C4' energy: -12.738
flat angles P-C4'-P energy: -15.041
tors. eta vs tors. theta energy: -24.687
Dist. restrs. and SS energy: 0.171 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -316.091602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.091602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.427501 (E_RNA)
where:
Base-Base interactions energy: -211.375
where: short stacking energy: -75.647
Base-Backbone interact. energy: -1.001
local terms energy: -104.051596
where:
bonds (distance) C4'-P energy: -21.254
bonds (distance) P-C4' energy: -24.009
flat angles C4'-P-C4' energy: -23.399
flat angles P-C4'-P energy: -11.840
tors. eta vs tors. theta energy: -23.549
Dist. restrs. and SS energy: 0.336 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -436.893508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.893508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.124848 (E_RNA)
where:
Base-Base interactions energy: -297.058
where: short stacking energy: -99.911
Base-Backbone interact. energy: -0.811
local terms energy: -139.256145
where:
bonds (distance) C4'-P energy: -26.563
bonds (distance) P-C4' energy: -29.592
flat angles C4'-P-C4' energy: -30.937
flat angles P-C4'-P energy: -17.316
tors. eta vs tors. theta energy: -34.848
Dist. restrs. and SS energy: 0.231 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -428.223012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.223012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.371802 (E_RNA)
where:
Base-Base interactions energy: -288.257
where: short stacking energy: -117.930
Base-Backbone interact. energy: -0.592
local terms energy: -139.523314
where:
bonds (distance) C4'-P energy: -24.220
bonds (distance) P-C4' energy: -30.248
flat angles C4'-P-C4' energy: -28.985
flat angles P-C4'-P energy: -19.713
tors. eta vs tors. theta energy: -36.357
Dist. restrs. and SS energy: 0.149 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -376.269486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.269486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.812228 (E_RNA)
where:
Base-Base interactions energy: -249.045
where: short stacking energy: -109.595
Base-Backbone interact. energy: -0.265
local terms energy: -127.502855
where:
bonds (distance) C4'-P energy: -22.777
bonds (distance) P-C4' energy: -30.369
flat angles C4'-P-C4' energy: -31.408
flat angles P-C4'-P energy: -17.796
tors. eta vs tors. theta energy: -25.152
Dist. restrs. and SS energy: 0.543 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -366.128709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.128709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.720724 (E_RNA)
where:
Base-Base interactions energy: -243.353
where: short stacking energy: -96.862
Base-Backbone interact. energy: 0.468
local terms energy: -123.835407
where:
bonds (distance) C4'-P energy: -25.580
bonds (distance) P-C4' energy: -28.213
flat angles C4'-P-C4' energy: -26.950
flat angles P-C4'-P energy: -18.208
tors. eta vs tors. theta energy: -24.884
Dist. restrs. and SS energy: 0.592 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -381.663112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.663112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.007030 (E_RNA)
where:
Base-Base interactions energy: -247.049
where: short stacking energy: -105.569
Base-Backbone interact. energy: -0.109
local terms energy: -134.848827
where:
bonds (distance) C4'-P energy: -30.034
bonds (distance) P-C4' energy: -31.471
flat angles C4'-P-C4' energy: -30.725
flat angles P-C4'-P energy: -14.203
tors. eta vs tors. theta energy: -28.416
Dist. restrs. and SS energy: 0.344 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -374.344602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.344602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.425865 (E_RNA)
where:
Base-Base interactions energy: -249.835
where: short stacking energy: -102.960
Base-Backbone interact. energy: -0.645
local terms energy: -123.945702
where:
bonds (distance) C4'-P energy: -29.586
bonds (distance) P-C4' energy: -26.773
flat angles C4'-P-C4' energy: -23.169
flat angles P-C4'-P energy: -12.817
tors. eta vs tors. theta energy: -31.600
Dist. restrs. and SS energy: 0.081 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -352.088268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.088268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.316706 (E_RNA)
where:
Base-Base interactions energy: -231.685
where: short stacking energy: -93.625
Base-Backbone interact. energy: 0.620
local terms energy: -121.251731
where:
bonds (distance) C4'-P energy: -22.881
bonds (distance) P-C4' energy: -25.852
flat angles C4'-P-C4' energy: -27.754
flat angles P-C4'-P energy: -16.017
tors. eta vs tors. theta energy: -28.748
Dist. restrs. and SS energy: 0.228 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -331.190609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.190609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.392548 (E_RNA)
where:
Base-Base interactions energy: -223.069
where: short stacking energy: -86.436
Base-Backbone interact. energy: -0.859
local terms energy: -107.463721
where:
bonds (distance) C4'-P energy: -24.817
bonds (distance) P-C4' energy: -26.690
flat angles C4'-P-C4' energy: -18.556
flat angles P-C4'-P energy: -17.101
tors. eta vs tors. theta energy: -20.299
Dist. restrs. and SS energy: 0.202 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -315.103024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.103024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.447857 (E_RNA)
where:
Base-Base interactions energy: -206.580
where: short stacking energy: -78.680
Base-Backbone interact. energy: 0.542
local terms energy: -109.410453
where:
bonds (distance) C4'-P energy: -26.038
bonds (distance) P-C4' energy: -26.497
flat angles C4'-P-C4' energy: -24.914
flat angles P-C4'-P energy: -12.718
tors. eta vs tors. theta energy: -19.243
Dist. restrs. and SS energy: 0.345 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -322.060133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.060133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.402359 (E_RNA)
where:
Base-Base interactions energy: -216.659
where: short stacking energy: -76.126
Base-Backbone interact. energy: -0.205
local terms energy: -105.537888
where:
bonds (distance) C4'-P energy: -22.373
bonds (distance) P-C4' energy: -22.617
flat angles C4'-P-C4' energy: -22.783
flat angles P-C4'-P energy: -12.521
tors. eta vs tors. theta energy: -25.243
Dist. restrs. and SS energy: 0.342 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -441.086453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.086453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.120205 (E_RNA)
where:
Base-Base interactions energy: -296.044
where: short stacking energy: -115.527
Base-Backbone interact. energy: -0.498
local terms energy: -144.577816
where:
bonds (distance) C4'-P energy: -25.272
bonds (distance) P-C4' energy: -32.210
flat angles C4'-P-C4' energy: -32.694
flat angles P-C4'-P energy: -22.187
tors. eta vs tors. theta energy: -32.215
Dist. restrs. and SS energy: 0.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -404.807381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.807381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.018274 (E_RNA)
where:
Base-Base interactions energy: -274.448
where: short stacking energy: -111.539
Base-Backbone interact. energy: -2.868
local terms energy: -127.702597
where:
bonds (distance) C4'-P energy: -27.622
bonds (distance) P-C4' energy: -27.083
flat angles C4'-P-C4' energy: -23.213
flat angles P-C4'-P energy: -22.042
tors. eta vs tors. theta energy: -27.743
Dist. restrs. and SS energy: 0.211 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -413.521928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.521928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.902846 (E_RNA)
where:
Base-Base interactions energy: -282.779
where: short stacking energy: -117.142
Base-Backbone interact. energy: -0.494
local terms energy: -130.629801
where:
bonds (distance) C4'-P energy: -27.106
bonds (distance) P-C4' energy: -24.761
flat angles C4'-P-C4' energy: -30.973
flat angles P-C4'-P energy: -17.751
tors. eta vs tors. theta energy: -30.039
Dist. restrs. and SS energy: 0.381 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -367.883337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.883337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.947699 (E_RNA)
where:
Base-Base interactions energy: -241.784
where: short stacking energy: -103.587
Base-Backbone interact. energy: -0.314
local terms energy: -125.849737
where:
bonds (distance) C4'-P energy: -26.321
bonds (distance) P-C4' energy: -29.901
flat angles C4'-P-C4' energy: -25.541
flat angles P-C4'-P energy: -16.271
tors. eta vs tors. theta energy: -27.816
Dist. restrs. and SS energy: 0.064 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -374.153717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.153717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.316179 (E_RNA)
where:
Base-Base interactions energy: -252.959
where: short stacking energy: -102.496
Base-Backbone interact. energy: -0.387
local terms energy: -120.969737
where:
bonds (distance) C4'-P energy: -19.269
bonds (distance) P-C4' energy: -31.464
flat angles C4'-P-C4' energy: -25.527
flat angles P-C4'-P energy: -14.951
tors. eta vs tors. theta energy: -29.759
Dist. restrs. and SS energy: 0.162 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -367.503545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.503545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.218484 (E_RNA)
where:
Base-Base interactions energy: -239.330
where: short stacking energy: -102.340
Base-Backbone interact. energy: -0.569
local terms energy: -128.318903
where:
bonds (distance) C4'-P energy: -25.898
bonds (distance) P-C4' energy: -31.271
flat angles C4'-P-C4' energy: -29.164
flat angles P-C4'-P energy: -13.055
tors. eta vs tors. theta energy: -28.930
Dist. restrs. and SS energy: 0.715 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -367.341612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.341612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.370472 (E_RNA)
where:
Base-Base interactions energy: -253.954
where: short stacking energy: -102.206
Base-Backbone interact. energy: -0.301
local terms energy: -113.115825
where:
bonds (distance) C4'-P energy: -22.137
bonds (distance) P-C4' energy: -30.192
flat angles C4'-P-C4' energy: -22.338
flat angles P-C4'-P energy: -9.821
tors. eta vs tors. theta energy: -28.628
Dist. restrs. and SS energy: 0.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -335.778212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.778212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.000674 (E_RNA)
where:
Base-Base interactions energy: -228.456
where: short stacking energy: -94.084
Base-Backbone interact. energy: 0.599
local terms energy: -108.143651
where:
bonds (distance) C4'-P energy: -23.905
bonds (distance) P-C4' energy: -24.806
flat angles C4'-P-C4' energy: -20.081
flat angles P-C4'-P energy: -14.673
tors. eta vs tors. theta energy: -24.680
Dist. restrs. and SS energy: 0.222 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -326.588849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.588849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.323791 (E_RNA)
where:
Base-Base interactions energy: -212.900
where: short stacking energy: -91.964
Base-Backbone interact. energy: 1.848
local terms energy: -116.271714
where:
bonds (distance) C4'-P energy: -21.910
bonds (distance) P-C4' energy: -26.666
flat angles C4'-P-C4' energy: -29.657
flat angles P-C4'-P energy: -15.175
tors. eta vs tors. theta energy: -22.863
Dist. restrs. and SS energy: 0.735 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -303.135288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.135288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.558683 (E_RNA)
where:
Base-Base interactions energy: -196.191
where: short stacking energy: -77.196
Base-Backbone interact. energy: -0.123
local terms energy: -107.243977
where:
bonds (distance) C4'-P energy: -23.266
bonds (distance) P-C4' energy: -28.197
flat angles C4'-P-C4' energy: -20.197
flat angles P-C4'-P energy: -15.995
tors. eta vs tors. theta energy: -19.589
Dist. restrs. and SS energy: 0.423 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -436.531387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.531387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.724542 (E_RNA)
where:
Base-Base interactions energy: -302.329
where: short stacking energy: -114.475
Base-Backbone interact. energy: -0.629
local terms energy: -133.766704
where:
bonds (distance) C4'-P energy: -25.957
bonds (distance) P-C4' energy: -30.013
flat angles C4'-P-C4' energy: -27.925
flat angles P-C4'-P energy: -19.077
tors. eta vs tors. theta energy: -30.795
Dist. restrs. and SS energy: 0.193 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -405.946497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.946497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.351532 (E_RNA)
where:
Base-Base interactions energy: -276.629
where: short stacking energy: -102.659
Base-Backbone interact. energy: -2.368
local terms energy: -127.354276
where:
bonds (distance) C4'-P energy: -27.411
bonds (distance) P-C4' energy: -26.401
flat angles C4'-P-C4' energy: -27.870
flat angles P-C4'-P energy: -17.020
tors. eta vs tors. theta energy: -28.653
Dist. restrs. and SS energy: 0.405 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -388.598047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.598047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.783787 (E_RNA)
where:
Base-Base interactions energy: -263.138
where: short stacking energy: -94.413
Base-Backbone interact. energy: -0.429
local terms energy: -125.217470
where:
bonds (distance) C4'-P energy: -24.425
bonds (distance) P-C4' energy: -20.652
flat angles C4'-P-C4' energy: -32.263
flat angles P-C4'-P energy: -18.221
tors. eta vs tors. theta energy: -29.657
Dist. restrs. and SS energy: 0.186 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -363.369429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.369429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.538632 (E_RNA)
where:
Base-Base interactions energy: -248.352
where: short stacking energy: -105.949
Base-Backbone interact. energy: -0.151
local terms energy: -115.036395
where:
bonds (distance) C4'-P energy: -25.513
bonds (distance) P-C4' energy: -18.101
flat angles C4'-P-C4' energy: -28.265
flat angles P-C4'-P energy: -17.843
tors. eta vs tors. theta energy: -25.314
Dist. restrs. and SS energy: 0.169 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -368.170618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.170618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.352765 (E_RNA)
where:
Base-Base interactions energy: -246.917
where: short stacking energy: -100.016
Base-Backbone interact. energy: -1.377
local terms energy: -120.059477
where:
bonds (distance) C4'-P energy: -23.542
bonds (distance) P-C4' energy: -23.240
flat angles C4'-P-C4' energy: -29.155
flat angles P-C4'-P energy: -13.714
tors. eta vs tors. theta energy: -30.409
Dist. restrs. and SS energy: 0.182 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -375.789940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.789940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.051173 (E_RNA)
where:
Base-Base interactions energy: -249.572
where: short stacking energy: -114.614
Base-Backbone interact. energy: -0.103
local terms energy: -126.375329
where:
bonds (distance) C4'-P energy: -27.872
bonds (distance) P-C4' energy: -25.752
flat angles C4'-P-C4' energy: -27.315
flat angles P-C4'-P energy: -18.176
tors. eta vs tors. theta energy: -27.261
Dist. restrs. and SS energy: 0.261 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -350.861133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.861133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.122829 (E_RNA)
where:
Base-Base interactions energy: -233.282
where: short stacking energy: -93.384
Base-Backbone interact. energy: 0.350
local terms energy: -118.190925
where:
bonds (distance) C4'-P energy: -21.620
bonds (distance) P-C4' energy: -28.846
flat angles C4'-P-C4' energy: -22.142
flat angles P-C4'-P energy: -18.452
tors. eta vs tors. theta energy: -27.132
Dist. restrs. and SS energy: 0.262 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -347.711849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.711849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.469364 (E_RNA)
where:
Base-Base interactions energy: -227.682
where: short stacking energy: -91.343
Base-Backbone interact. energy: -1.209
local terms energy: -119.578150
where:
bonds (distance) C4'-P energy: -22.193
bonds (distance) P-C4' energy: -25.142
flat angles C4'-P-C4' energy: -27.414
flat angles P-C4'-P energy: -12.324
tors. eta vs tors. theta energy: -32.504
Dist. restrs. and SS energy: 0.758 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -313.663719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.663719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.300992 (E_RNA)
where:
Base-Base interactions energy: -207.922
where: short stacking energy: -78.739
Base-Backbone interact. energy: 1.090
local terms energy: -107.468768
where:
bonds (distance) C4'-P energy: -25.325
bonds (distance) P-C4' energy: -22.258
flat angles C4'-P-C4' energy: -24.440
flat angles P-C4'-P energy: -14.232
tors. eta vs tors. theta energy: -21.214
Dist. restrs. and SS energy: 0.637 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -327.052283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.052283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.183807 (E_RNA)
where:
Base-Base interactions energy: -218.772
where: short stacking energy: -94.207
Base-Backbone interact. energy: -1.228
local terms energy: -109.183835
where:
bonds (distance) C4'-P energy: -30.624
bonds (distance) P-C4' energy: -20.462
flat angles C4'-P-C4' energy: -24.959
flat angles P-C4'-P energy: -12.914
tors. eta vs tors. theta energy: -20.225
Dist. restrs. and SS energy: 2.132 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -429.493943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.493943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.755441 (E_RNA)
where:
Base-Base interactions energy: -298.139
where: short stacking energy: -109.106
Base-Backbone interact. energy: 2.265
local terms energy: -133.881768
where:
bonds (distance) C4'-P energy: -27.709
bonds (distance) P-C4' energy: -27.428
flat angles C4'-P-C4' energy: -28.613
flat angles P-C4'-P energy: -20.785
tors. eta vs tors. theta energy: -29.347
Dist. restrs. and SS energy: 0.261 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -402.069770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.069770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.230132 (E_RNA)
where:
Base-Base interactions energy: -278.790
where: short stacking energy: -97.721
Base-Backbone interact. energy: -1.594
local terms energy: -121.846173
where:
bonds (distance) C4'-P energy: -25.928
bonds (distance) P-C4' energy: -28.375
flat angles C4'-P-C4' energy: -17.996
flat angles P-C4'-P energy: -18.049
tors. eta vs tors. theta energy: -31.498
Dist. restrs. and SS energy: 0.160 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -403.000986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.000986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.228065 (E_RNA)
where:
Base-Base interactions energy: -269.023
where: short stacking energy: -110.867
Base-Backbone interact. energy: 0.434
local terms energy: -134.639218
where:
bonds (distance) C4'-P energy: -26.507
bonds (distance) P-C4' energy: -25.823
flat angles C4'-P-C4' energy: -28.559
flat angles P-C4'-P energy: -20.548
tors. eta vs tors. theta energy: -33.202
Dist. restrs. and SS energy: 0.227 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -362.615459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.615459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.743635 (E_RNA)
where:
Base-Base interactions energy: -240.183
where: short stacking energy: -102.359
Base-Backbone interact. energy: -0.625
local terms energy: -121.935251
where:
bonds (distance) C4'-P energy: -28.419
bonds (distance) P-C4' energy: -25.541
flat angles C4'-P-C4' energy: -28.672
flat angles P-C4'-P energy: -12.743
tors. eta vs tors. theta energy: -26.561
Dist. restrs. and SS energy: 0.128 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -371.507779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.507779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.911572 (E_RNA)
where:
Base-Base interactions energy: -251.587
where: short stacking energy: -102.777
Base-Backbone interact. energy: -0.489
local terms energy: -119.835736
where:
bonds (distance) C4'-P energy: -23.090
bonds (distance) P-C4' energy: -25.057
flat angles C4'-P-C4' energy: -25.232
flat angles P-C4'-P energy: -17.118
tors. eta vs tors. theta energy: -29.339
Dist. restrs. and SS energy: 0.404 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -365.039957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.039957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.133239 (E_RNA)
where:
Base-Base interactions energy: -244.965
where: short stacking energy: -105.296
Base-Backbone interact. energy: -1.577
local terms energy: -118.591076
where:
bonds (distance) C4'-P energy: -25.083
bonds (distance) P-C4' energy: -24.848
flat angles C4'-P-C4' energy: -26.095
flat angles P-C4'-P energy: -14.363
tors. eta vs tors. theta energy: -28.202
Dist. restrs. and SS energy: 0.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -356.566271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.566271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.696687 (E_RNA)
where:
Base-Base interactions energy: -237.190
where: short stacking energy: -104.612
Base-Backbone interact. energy: -0.525
local terms energy: -118.981788
where:
bonds (distance) C4'-P energy: -21.066
bonds (distance) P-C4' energy: -26.954
flat angles C4'-P-C4' energy: -27.174
flat angles P-C4'-P energy: -14.808
tors. eta vs tors. theta energy: -28.980
Dist. restrs. and SS energy: 0.130 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -340.716554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.716554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.827058 (E_RNA)
where:
Base-Base interactions energy: -235.325
where: short stacking energy: -82.124
Base-Backbone interact. energy: -0.068
local terms energy: -105.434151
where:
bonds (distance) C4'-P energy: -20.690
bonds (distance) P-C4' energy: -25.370
flat angles C4'-P-C4' energy: -25.064
flat angles P-C4'-P energy: -12.654
tors. eta vs tors. theta energy: -21.656
Dist. restrs. and SS energy: 0.111 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -333.345951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.345951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.461703 (E_RNA)
where:
Base-Base interactions energy: -228.221
where: short stacking energy: -94.409
Base-Backbone interact. energy: -1.296
local terms energy: -103.944732
where:
bonds (distance) C4'-P energy: -20.910
bonds (distance) P-C4' energy: -23.236
flat angles C4'-P-C4' energy: -22.210
flat angles P-C4'-P energy: -10.891
tors. eta vs tors. theta energy: -26.697
Dist. restrs. and SS energy: 0.116 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -341.231130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.231130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.005544 (E_RNA)
where:
Base-Base interactions energy: -231.586
where: short stacking energy: -90.444
Base-Backbone interact. energy: -0.162
local terms energy: -110.257518
where:
bonds (distance) C4'-P energy: -17.666
bonds (distance) P-C4' energy: -26.021
flat angles C4'-P-C4' energy: -22.186
flat angles P-C4'-P energy: -16.717
tors. eta vs tors. theta energy: -27.668
Dist. restrs. and SS energy: 0.774 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -438.787474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.787474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.126566 (E_RNA)
where:
Base-Base interactions energy: -303.907
where: short stacking energy: -106.418
Base-Backbone interact. energy: -1.059
local terms energy: -134.160714
where:
bonds (distance) C4'-P energy: -25.971
bonds (distance) P-C4' energy: -22.658
flat angles C4'-P-C4' energy: -31.961
flat angles P-C4'-P energy: -21.924
tors. eta vs tors. theta energy: -31.647
Dist. restrs. and SS energy: 0.339 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -396.096305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.096305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.209761 (E_RNA)
where:
Base-Base interactions energy: -260.721
where: short stacking energy: -103.687
Base-Backbone interact. energy: -3.318
local terms energy: -132.170625
where:
bonds (distance) C4'-P energy: -26.386
bonds (distance) P-C4' energy: -28.632
flat angles C4'-P-C4' energy: -30.538
flat angles P-C4'-P energy: -20.598
tors. eta vs tors. theta energy: -26.016
Dist. restrs. and SS energy: 0.113 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -417.520156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.520156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.612149 (E_RNA)
where:
Base-Base interactions energy: -284.023
where: short stacking energy: -121.947
Base-Backbone interact. energy: -0.149
local terms energy: -133.439340
where:
bonds (distance) C4'-P energy: -21.748
bonds (distance) P-C4' energy: -30.434
flat angles C4'-P-C4' energy: -27.524
flat angles P-C4'-P energy: -16.935
tors. eta vs tors. theta energy: -36.798
Dist. restrs. and SS energy: 0.092 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -367.597503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.597503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.941286 (E_RNA)
where:
Base-Base interactions energy: -245.746
where: short stacking energy: -94.721
Base-Backbone interact. energy: -2.048
local terms energy: -120.147142
where:
bonds (distance) C4'-P energy: -24.900
bonds (distance) P-C4' energy: -26.788
flat angles C4'-P-C4' energy: -28.065
flat angles P-C4'-P energy: -15.791
tors. eta vs tors. theta energy: -24.603
Dist. restrs. and SS energy: 0.344 (S_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: 492
Temperature: 1.100000
Total energy: -384.917293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.917293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.339425 (E_RNA)
where:
Base-Base interactions energy: -264.284
where: short stacking energy: -100.271
Base-Backbone interact. energy: -1.270
local terms energy: -119.785606
where:
bonds (distance) C4'-P energy: -15.467
bonds (distance) P-C4' energy: -29.593
flat angles C4'-P-C4' energy: -29.095
flat angles P-C4'-P energy: -16.320
tors. eta vs tors. theta energy: -29.311
Dist. restrs. and SS energy: 0.422 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -346.754596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.754596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.219989 (E_RNA)
where:
Base-Base interactions energy: -240.069
where: short stacking energy: -96.420
Base-Backbone interact. energy: -2.153
local terms energy: -104.997892
where:
bonds (distance) C4'-P energy: -17.912
bonds (distance) P-C4' energy: -18.412
flat angles C4'-P-C4' energy: -28.901
flat angles P-C4'-P energy: -9.308
tors. eta vs tors. theta energy: -30.464
Dist. restrs. and SS energy: 0.465 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -340.405664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.405664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.601541 (E_RNA)
where:
Base-Base interactions energy: -225.558
where: short stacking energy: -93.717
Base-Backbone interact. energy: 1.143
local terms energy: -116.187290
where:
bonds (distance) C4'-P energy: -20.003
bonds (distance) P-C4' energy: -27.052
flat angles C4'-P-C4' energy: -30.108
flat angles P-C4'-P energy: -16.438
tors. eta vs tors. theta energy: -22.587
Dist. restrs. and SS energy: 0.196 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -335.558654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.558654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.683962 (E_RNA)
where:
Base-Base interactions energy: -223.218
where: short stacking energy: -92.755
Base-Backbone interact. energy: 0.138
local terms energy: -114.603412
where:
bonds (distance) C4'-P energy: -21.161
bonds (distance) P-C4' energy: -25.954
flat angles C4'-P-C4' energy: -25.332
flat angles P-C4'-P energy: -22.526
tors. eta vs tors. theta energy: -19.631
Dist. restrs. and SS energy: 2.125 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -347.941427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.941427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.986103 (E_RNA)
where:
Base-Base interactions energy: -240.948
where: short stacking energy: -89.489
Base-Backbone interact. energy: -1.498
local terms energy: -106.539780
where:
bonds (distance) C4'-P energy: -17.121
bonds (distance) P-C4' energy: -23.409
flat angles C4'-P-C4' energy: -23.106
flat angles P-C4'-P energy: -17.485
tors. eta vs tors. theta energy: -25.419
Dist. restrs. and SS energy: 1.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -312.626803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.626803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.088338 (E_RNA)
where:
Base-Base interactions energy: -207.530
where: short stacking energy: -79.767
Base-Backbone interact. energy: -0.047
local terms energy: -105.511753
where:
bonds (distance) C4'-P energy: -17.280
bonds (distance) P-C4' energy: -22.684
flat angles C4'-P-C4' energy: -24.923
flat angles P-C4'-P energy: -12.974
tors. eta vs tors. theta energy: -27.651
Dist. restrs. and SS energy: 0.462 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -439.988436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.988436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.165511 (E_RNA)
where:
Base-Base interactions energy: -310.497
where: short stacking energy: -117.433
Base-Backbone interact. energy: 0.035
local terms energy: -129.703589
where:
bonds (distance) C4'-P energy: -28.795
bonds (distance) P-C4' energy: -28.143
flat angles C4'-P-C4' energy: -25.756
flat angles P-C4'-P energy: -15.833
tors. eta vs tors. theta energy: -31.177
Dist. restrs. and SS energy: 0.177 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -417.268540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.268540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.422852 (E_RNA)
where:
Base-Base interactions energy: -276.147
where: short stacking energy: -114.912
Base-Backbone interact. energy: -0.715
local terms energy: -140.560995
where:
bonds (distance) C4'-P energy: -27.284
bonds (distance) P-C4' energy: -32.648
flat angles C4'-P-C4' energy: -30.143
flat angles P-C4'-P energy: -17.966
tors. eta vs tors. theta energy: -32.520
Dist. restrs. and SS energy: 0.154 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -394.785114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.785114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.158903 (E_RNA)
where:
Base-Base interactions energy: -274.381
where: short stacking energy: -114.216
Base-Backbone interact. energy: -0.277
local terms energy: -120.500152
where:
bonds (distance) C4'-P energy: -27.331
bonds (distance) P-C4' energy: -30.101
flat angles C4'-P-C4' energy: -25.688
flat angles P-C4'-P energy: -8.871
tors. eta vs tors. theta energy: -28.510
Dist. restrs. and SS energy: 0.374 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -382.186935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.186935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.337257 (E_RNA)
where:
Base-Base interactions energy: -252.599
where: short stacking energy: -102.353
Base-Backbone interact. energy: -0.109
local terms energy: -129.628488
where:
bonds (distance) C4'-P energy: -25.418
bonds (distance) P-C4' energy: -32.066
flat angles C4'-P-C4' energy: -25.375
flat angles P-C4'-P energy: -21.184
tors. eta vs tors. theta energy: -25.585
Dist. restrs. and SS energy: 0.150 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -359.894713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.894713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.034605 (E_RNA)
where:
Base-Base interactions energy: -238.274
where: short stacking energy: -98.762
Base-Backbone interact. energy: -0.246
local terms energy: -121.514947
where:
bonds (distance) C4'-P energy: -27.127
bonds (distance) P-C4' energy: -26.315
flat angles C4'-P-C4' energy: -24.473
flat angles P-C4'-P energy: -15.284
tors. eta vs tors. theta energy: -28.315
Dist. restrs. and SS energy: 0.140 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -365.658689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.658689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.686233 (E_RNA)
where:
Base-Base interactions energy: -246.702
where: short stacking energy: -102.492
Base-Backbone interact. energy: -1.408
local terms energy: -117.575509
where:
bonds (distance) C4'-P energy: -21.248
bonds (distance) P-C4' energy: -19.065
flat angles C4'-P-C4' energy: -28.589
flat angles P-C4'-P energy: -18.416
tors. eta vs tors. theta energy: -30.257
Dist. restrs. and SS energy: 0.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -344.554304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.554304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.777924 (E_RNA)
where:
Base-Base interactions energy: -237.946
where: short stacking energy: -96.622
Base-Backbone interact. energy: -2.058
local terms energy: -104.773810
where:
bonds (distance) C4'-P energy: -23.608
bonds (distance) P-C4' energy: -20.851
flat angles C4'-P-C4' energy: -21.518
flat angles P-C4'-P energy: -13.190
tors. eta vs tors. theta energy: -25.606
Dist. restrs. and SS energy: 0.224 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -351.603675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.603675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.552287 (E_RNA)
where:
Base-Base interactions energy: -240.595
where: short stacking energy: -90.619
Base-Backbone interact. energy: -0.619
local terms energy: -111.339097
where:
bonds (distance) C4'-P energy: -21.328
bonds (distance) P-C4' energy: -22.985
flat angles C4'-P-C4' energy: -23.780
flat angles P-C4'-P energy: -13.950
tors. eta vs tors. theta energy: -29.296
Dist. restrs. and SS energy: 0.949 (S_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: 493
Temperature: 1.300000
Total energy: -361.011919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.011919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.814312 (E_RNA)
where:
Base-Base interactions energy: -245.836
where: short stacking energy: -104.328
Base-Backbone interact. energy: -0.266
local terms energy: -117.711919
where:
bonds (distance) C4'-P energy: -27.873
bonds (distance) P-C4' energy: -17.691
flat angles C4'-P-C4' energy: -26.550
flat angles P-C4'-P energy: -12.030
tors. eta vs tors. theta energy: -33.568
Dist. restrs. and SS energy: 2.802 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -329.521987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.521987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.916232 (E_RNA)
where:
Base-Base interactions energy: -224.530
where: short stacking energy: -87.115
Base-Backbone interact. energy: -2.046
local terms energy: -103.340050
where:
bonds (distance) C4'-P energy: -20.819
bonds (distance) P-C4' energy: -24.376
flat angles C4'-P-C4' energy: -22.739
flat angles P-C4'-P energy: -15.498
tors. eta vs tors. theta energy: -19.907
Dist. restrs. and SS energy: 0.394 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -414.269181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.269181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.354666 (E_RNA)
where:
Base-Base interactions energy: -274.771
where: short stacking energy: -107.471
Base-Backbone interact. energy: 0.990
local terms energy: -140.574427
where:
bonds (distance) C4'-P energy: -30.042
bonds (distance) P-C4' energy: -25.973
flat angles C4'-P-C4' energy: -31.461
flat angles P-C4'-P energy: -19.047
tors. eta vs tors. theta energy: -34.051
Dist. restrs. and SS energy: 0.085 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -435.003111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.003111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.210969 (E_RNA)
where:
Base-Base interactions energy: -304.728
where: short stacking energy: -119.024
Base-Backbone interact. energy: 0.904
local terms energy: -131.387133
where:
bonds (distance) C4'-P energy: -26.013
bonds (distance) P-C4' energy: -24.213
flat angles C4'-P-C4' energy: -30.388
flat angles P-C4'-P energy: -18.236
tors. eta vs tors. theta energy: -32.537
Dist. restrs. and SS energy: 0.208 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -405.674471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.674471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.856805 (E_RNA)
where:
Base-Base interactions energy: -260.998
where: short stacking energy: -107.326
Base-Backbone interact. energy: 1.406
local terms energy: -146.264383
where:
bonds (distance) C4'-P energy: -26.192
bonds (distance) P-C4' energy: -33.629
flat angles C4'-P-C4' energy: -27.192
flat angles P-C4'-P energy: -24.777
tors. eta vs tors. theta energy: -34.474
Dist. restrs. and SS energy: 0.182 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -379.707078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.707078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.818927 (E_RNA)
where:
Base-Base interactions energy: -256.918
where: short stacking energy: -103.278
Base-Backbone interact. energy: -1.384
local terms energy: -121.517171
where:
bonds (distance) C4'-P energy: -25.486
bonds (distance) P-C4' energy: -17.345
flat angles C4'-P-C4' energy: -31.339
flat angles P-C4'-P energy: -19.100
tors. eta vs tors. theta energy: -28.247
Dist. restrs. and SS energy: 0.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -364.617144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.617144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.740287 (E_RNA)
where:
Base-Base interactions energy: -249.500
where: short stacking energy: -97.145
Base-Backbone interact. energy: -0.454
local terms energy: -114.785855
where:
bonds (distance) C4'-P energy: -24.153
bonds (distance) P-C4' energy: -23.623
flat angles C4'-P-C4' energy: -24.784
flat angles P-C4'-P energy: -14.018
tors. eta vs tors. theta energy: -28.208
Dist. restrs. and SS energy: 0.123 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -362.485979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.485979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.659273 (E_RNA)
where:
Base-Base interactions energy: -249.946
where: short stacking energy: -96.131
Base-Backbone interact. energy: 0.101
local terms energy: -112.814283
where:
bonds (distance) C4'-P energy: -23.369
bonds (distance) P-C4' energy: -18.570
flat angles C4'-P-C4' energy: -29.531
flat angles P-C4'-P energy: -14.345
tors. eta vs tors. theta energy: -26.999
Dist. restrs. and SS energy: 0.173 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -371.553707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.553707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.816031 (E_RNA)
where:
Base-Base interactions energy: -253.391
where: short stacking energy: -96.394
Base-Backbone interact. energy: -0.476
local terms energy: -117.948550
where:
bonds (distance) C4'-P energy: -22.322
bonds (distance) P-C4' energy: -27.818
flat angles C4'-P-C4' energy: -28.826
flat angles P-C4'-P energy: -15.845
tors. eta vs tors. theta energy: -23.137
Dist. restrs. and SS energy: 0.262 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -320.289993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.289993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.592230 (E_RNA)
where:
Base-Base interactions energy: -222.927
where: short stacking energy: -87.878
Base-Backbone interact. energy: 0.245
local terms energy: -97.909404
where:
bonds (distance) C4'-P energy: -19.427
bonds (distance) P-C4' energy: -26.503
flat angles C4'-P-C4' energy: -15.020
flat angles P-C4'-P energy: -14.071
tors. eta vs tors. theta energy: -22.889
Dist. restrs. and SS energy: 0.302 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -331.994415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.994415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.052493 (E_RNA)
where:
Base-Base interactions energy: -233.245
where: short stacking energy: -84.083
Base-Backbone interact. energy: -0.320
local terms energy: -98.487679
where:
bonds (distance) C4'-P energy: -17.829
bonds (distance) P-C4' energy: -24.816
flat angles C4'-P-C4' energy: -22.647
flat angles P-C4'-P energy: -15.734
tors. eta vs tors. theta energy: -17.462
Dist. restrs. and SS energy: 0.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -328.546114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.546114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.125731 (E_RNA)
where:
Base-Base interactions energy: -237.466
where: short stacking energy: -94.462
Base-Backbone interact. energy: 4.107
local terms energy: -95.766731
where:
bonds (distance) C4'-P energy: -19.745
bonds (distance) P-C4' energy: -23.420
flat angles C4'-P-C4' energy: -19.003
flat angles P-C4'-P energy: -11.529
tors. eta vs tors. theta energy: -22.071
Dist. restrs. and SS energy: 0.580 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -412.885263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.885263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.983206 (E_RNA)
where:
Base-Base interactions energy: -282.613
where: short stacking energy: -121.297
Base-Backbone interact. energy: -2.755
local terms energy: -127.614971
where:
bonds (distance) C4'-P energy: -27.232
bonds (distance) P-C4' energy: -27.481
flat angles C4'-P-C4' energy: -28.444
flat angles P-C4'-P energy: -12.805
tors. eta vs tors. theta energy: -31.654
Dist. restrs. and SS energy: 0.098 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -402.475311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.475311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.711224 (E_RNA)
where:
Base-Base interactions energy: -274.788
where: short stacking energy: -117.343
Base-Backbone interact. energy: -0.666
local terms energy: -127.257623
where:
bonds (distance) C4'-P energy: -21.888
bonds (distance) P-C4' energy: -29.724
flat angles C4'-P-C4' energy: -29.029
flat angles P-C4'-P energy: -15.311
tors. eta vs tors. theta energy: -31.307
Dist. restrs. and SS energy: 0.236 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -424.339320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.339320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.684758 (E_RNA)
where:
Base-Base interactions energy: -305.630
where: short stacking energy: -100.853
Base-Backbone interact. energy: 1.150
local terms energy: -120.205470
where:
bonds (distance) C4'-P energy: -24.333
bonds (distance) P-C4' energy: -20.535
flat angles C4'-P-C4' energy: -22.446
flat angles P-C4'-P energy: -21.061
tors. eta vs tors. theta energy: -31.831
Dist. restrs. and SS energy: 0.345 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -387.713915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.713915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.922777 (E_RNA)
where:
Base-Base interactions energy: -249.140
where: short stacking energy: -113.014
Base-Backbone interact. energy: -0.211
local terms energy: -138.572092
where:
bonds (distance) C4'-P energy: -28.374
bonds (distance) P-C4' energy: -33.674
flat angles C4'-P-C4' energy: -26.429
flat angles P-C4'-P energy: -16.237
tors. eta vs tors. theta energy: -33.858
Dist. restrs. and SS energy: 0.209 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -353.007133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.007133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.110476 (E_RNA)
where:
Base-Base interactions energy: -245.686
where: short stacking energy: -98.671
Base-Backbone interact. energy: -0.412
local terms energy: -107.012323
where:
bonds (distance) C4'-P energy: -21.267
bonds (distance) P-C4' energy: -23.420
flat angles C4'-P-C4' energy: -23.476
flat angles P-C4'-P energy: -10.599
tors. eta vs tors. theta energy: -28.251
Dist. restrs. and SS energy: 0.103 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -380.848323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.848323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.883240 (E_RNA)
where:
Base-Base interactions energy: -260.142
where: short stacking energy: -92.051
Base-Backbone interact. energy: -0.387
local terms energy: -120.353428
where:
bonds (distance) C4'-P energy: -29.881
bonds (distance) P-C4' energy: -23.521
flat angles C4'-P-C4' energy: -29.523
flat angles P-C4'-P energy: -11.265
tors. eta vs tors. theta energy: -26.164
Dist. restrs. and SS energy: 0.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -365.002479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.002479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.271155 (E_RNA)
where:
Base-Base interactions energy: -245.952
where: short stacking energy: -98.742
Base-Backbone interact. energy: -1.525
local terms energy: -117.794084
where:
bonds (distance) C4'-P energy: -17.504
bonds (distance) P-C4' energy: -23.647
flat angles C4'-P-C4' energy: -25.566
flat angles P-C4'-P energy: -16.740
tors. eta vs tors. theta energy: -34.337
Dist. restrs. and SS energy: 0.269 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -333.617904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.617904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.971781 (E_RNA)
where:
Base-Base interactions energy: -230.120
where: short stacking energy: -94.738
Base-Backbone interact. energy: -0.993
local terms energy: -102.859539
where:
bonds (distance) C4'-P energy: -16.002
bonds (distance) P-C4' energy: -23.166
flat angles C4'-P-C4' energy: -22.440
flat angles P-C4'-P energy: -11.964
tors. eta vs tors. theta energy: -29.288
Dist. restrs. and SS energy: 0.354 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -329.806641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.806641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.254802 (E_RNA)
where:
Base-Base interactions energy: -216.364
where: short stacking energy: -87.141
Base-Backbone interact. energy: -0.355
local terms energy: -113.535676
where:
bonds (distance) C4'-P energy: -22.458
bonds (distance) P-C4' energy: -23.911
flat angles C4'-P-C4' energy: -27.521
flat angles P-C4'-P energy: -17.799
tors. eta vs tors. theta energy: -21.846
Dist. restrs. and SS energy: 0.448 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -319.245010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.245010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.429840 (E_RNA)
where:
Base-Base interactions energy: -217.479
where: short stacking energy: -90.620
Base-Backbone interact. energy: -0.219
local terms energy: -101.732364
where:
bonds (distance) C4'-P energy: -20.744
bonds (distance) P-C4' energy: -24.665
flat angles C4'-P-C4' energy: -23.685
flat angles P-C4'-P energy: -11.925
tors. eta vs tors. theta energy: -20.714
Dist. restrs. and SS energy: 0.185 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
out arg RESULTS//1/AKR1B10-db9b3c26_01
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -415.639812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.639812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.832232 (E_RNA)
where:
Base-Base interactions energy: -280.867
where: short stacking energy: -120.021
Base-Backbone interact. energy: -0.194
local terms energy: -134.770740
where:
bonds (distance) C4'-P energy: -23.066
bonds (distance) P-C4' energy: -29.811
flat angles C4'-P-C4' energy: -26.361
flat angles P-C4'-P energy: -21.485
tors. eta vs tors. theta energy: -34.048
Dist. restrs. and SS energy: 0.192 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -395.419739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.419739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.722285 (E_RNA)
where:
Base-Base interactions energy: -270.172
where: short stacking energy: -109.770
Base-Backbone interact. energy: -0.031
local terms energy: -125.519223
where:
bonds (distance) C4'-P energy: -30.402
bonds (distance) P-C4' energy: -22.831
flat angles C4'-P-C4' energy: -24.759
flat angles P-C4'-P energy: -16.133
tors. eta vs tors. theta energy: -31.394
Dist. restrs. and SS energy: 0.303 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -424.929358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.929358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.221841 (E_RNA)
where:
Base-Base interactions energy: -299.947
where: short stacking energy: -116.630
Base-Backbone interact. energy: -0.385
local terms energy: -124.890218
where:
bonds (distance) C4'-P energy: -25.455
bonds (distance) P-C4' energy: -30.005
flat angles C4'-P-C4' energy: -23.812
flat angles P-C4'-P energy: -11.320
tors. eta vs tors. theta energy: -34.298
Dist. restrs. and SS energy: 0.292 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -377.165939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.165939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.582435 (E_RNA)
where:
Base-Base interactions energy: -250.422
where: short stacking energy: -107.631
Base-Backbone interact. energy: 0.591
local terms energy: -127.751970
where:
bonds (distance) C4'-P energy: -29.922
bonds (distance) P-C4' energy: -21.535
flat angles C4'-P-C4' energy: -26.472
flat angles P-C4'-P energy: -14.303
tors. eta vs tors. theta energy: -35.520
Dist. restrs. and SS energy: 0.416 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -369.543815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.543815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.070470 (E_RNA)
where:
Base-Base interactions energy: -247.313
where: short stacking energy: -100.896
Base-Backbone interact. energy: -0.216
local terms energy: -122.541952
where:
bonds (distance) C4'-P energy: -24.158
bonds (distance) P-C4' energy: -26.055
flat angles C4'-P-C4' energy: -29.550
flat angles P-C4'-P energy: -19.501
tors. eta vs tors. theta energy: -23.278
Dist. restrs. and SS energy: 0.527 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -341.524829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.524829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.729287 (E_RNA)
where:
Base-Base interactions energy: -222.280
where: short stacking energy: -90.822
Base-Backbone interact. energy: -0.191
local terms energy: -119.258880
where:
bonds (distance) C4'-P energy: -25.582
bonds (distance) P-C4' energy: -29.142
flat angles C4'-P-C4' energy: -28.296
flat angles P-C4'-P energy: -13.104
tors. eta vs tors. theta energy: -23.135
Dist. restrs. and SS energy: 0.204 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -352.551900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.551900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.001052 (E_RNA)
where:
Base-Base interactions energy: -241.104
where: short stacking energy: -100.990
Base-Backbone interact. energy: 0.949
local terms energy: -112.845704
where:
bonds (distance) C4'-P energy: -23.578
bonds (distance) P-C4' energy: -19.294
flat angles C4'-P-C4' energy: -28.140
flat angles P-C4'-P energy: -11.044
tors. eta vs tors. theta energy: -30.789
Dist. restrs. and SS energy: 0.449 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -340.819094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.819094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.141927 (E_RNA)
where:
Base-Base interactions energy: -226.533
where: short stacking energy: -92.545
Base-Backbone interact. energy: -0.223
local terms energy: -114.385529
where:
bonds (distance) C4'-P energy: -23.676
bonds (distance) P-C4' energy: -19.097
flat angles C4'-P-C4' energy: -30.148
flat angles P-C4'-P energy: -15.607
tors. eta vs tors. theta energy: -25.859
Dist. restrs. and SS energy: 0.323 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -343.251666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.251666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.909109 (E_RNA)
where:
Base-Base interactions energy: -233.307
where: short stacking energy: -89.889
Base-Backbone interact. energy: -0.989
local terms energy: -109.613497
where:
bonds (distance) C4'-P energy: -25.081
bonds (distance) P-C4' energy: -27.699
flat angles C4'-P-C4' energy: -19.669
flat angles P-C4'-P energy: -10.093
tors. eta vs tors. theta energy: -27.073
Dist. restrs. and SS energy: 0.657 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -315.386153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.386153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.534630 (E_RNA)
where:
Base-Base interactions energy: -214.754
where: short stacking energy: -95.945
Base-Backbone interact. energy: -0.120
local terms energy: -100.660883
where:
bonds (distance) C4'-P energy: -18.175
bonds (distance) P-C4' energy: -26.033
flat angles C4'-P-C4' energy: -21.268
flat angles P-C4'-P energy: -10.939
tors. eta vs tors. theta energy: -24.246
Dist. restrs. and SS energy: 0.148 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -424.047911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.047911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.106071 (E_RNA)
where:
Base-Base interactions energy: -291.417
where: short stacking energy: -126.325
Base-Backbone interact. energy: -0.455
local terms energy: -132.234165
where:
bonds (distance) C4'-P energy: -26.805
bonds (distance) P-C4' energy: -21.048
flat angles C4'-P-C4' energy: -29.555
flat angles P-C4'-P energy: -17.865
tors. eta vs tors. theta energy: -36.961
Dist. restrs. and SS energy: 0.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -427.554247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.554247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.642324 (E_RNA)
where:
Base-Base interactions energy: -310.006
where: short stacking energy: -107.229
Base-Backbone interact. energy: 1.565
local terms energy: -119.201228
where:
bonds (distance) C4'-P energy: -24.767
bonds (distance) P-C4' energy: -25.262
flat angles C4'-P-C4' energy: -28.719
flat angles P-C4'-P energy: -13.692
tors. eta vs tors. theta energy: -26.762
Dist. restrs. and SS energy: 0.088 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -400.848876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.848876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.954915 (E_RNA)
where:
Base-Base interactions energy: -262.708
where: short stacking energy: -108.509
Base-Backbone interact. energy: -1.318
local terms energy: -136.929164
where:
bonds (distance) C4'-P energy: -24.823
bonds (distance) P-C4' energy: -22.733
flat angles C4'-P-C4' energy: -31.583
flat angles P-C4'-P energy: -22.761
tors. eta vs tors. theta energy: -35.030
Dist. restrs. and SS energy: 0.106 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -396.646507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.646507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.101379 (E_RNA)
where:
Base-Base interactions energy: -274.374
where: short stacking energy: -106.590
Base-Backbone interact. energy: -0.882
local terms energy: -121.846085
where:
bonds (distance) C4'-P energy: -30.935
bonds (distance) P-C4' energy: -24.702
flat angles C4'-P-C4' energy: -27.256
flat angles P-C4'-P energy: -10.880
tors. eta vs tors. theta energy: -28.073
Dist. restrs. and SS energy: 0.455 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -363.356272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.356272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.877801 (E_RNA)
where:
Base-Base interactions energy: -239.825
where: short stacking energy: -100.958
Base-Backbone interact. energy: -0.225
local terms energy: -123.827558
where:
bonds (distance) C4'-P energy: -25.670
bonds (distance) P-C4' energy: -21.629
flat angles C4'-P-C4' energy: -26.268
flat angles P-C4'-P energy: -19.028
tors. eta vs tors. theta energy: -31.233
Dist. restrs. and SS energy: 0.522 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -373.267006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.267006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.281704 (E_RNA)
where:
Base-Base interactions energy: -254.380
where: short stacking energy: -101.944
Base-Backbone interact. energy: -0.290
local terms energy: -118.611200
where:
bonds (distance) C4'-P energy: -26.573
bonds (distance) P-C4' energy: -26.088
flat angles C4'-P-C4' energy: -22.821
flat angles P-C4'-P energy: -16.255
tors. eta vs tors. theta energy: -26.874
Dist. restrs. and SS energy: 0.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -340.327998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.327998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.004485 (E_RNA)
where:
Base-Base interactions energy: -225.322
where: short stacking energy: -87.418
Base-Backbone interact. energy: -0.289
local terms energy: -115.393682
where:
bonds (distance) C4'-P energy: -26.669
bonds (distance) P-C4' energy: -23.451
flat angles C4'-P-C4' energy: -23.562
flat angles P-C4'-P energy: -19.485
tors. eta vs tors. theta energy: -22.228
Dist. restrs. and SS energy: 0.676 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -351.685026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.685026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.091336 (E_RNA)
where:
Base-Base interactions energy: -250.284
where: short stacking energy: -101.536
Base-Backbone interact. energy: 5.016
local terms energy: -106.823248
where:
bonds (distance) C4'-P energy: -18.639
bonds (distance) P-C4' energy: -25.973
flat angles C4'-P-C4' energy: -21.626
flat angles P-C4'-P energy: -15.608
tors. eta vs tors. theta energy: -24.977
Dist. restrs. and SS energy: 0.406 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -328.133535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.133535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.704398 (E_RNA)
where:
Base-Base interactions energy: -220.814
where: short stacking energy: -90.452
Base-Backbone interact. energy: -0.707
local terms energy: -107.183423
where:
bonds (distance) C4'-P energy: -23.658
bonds (distance) P-C4' energy: -21.460
flat angles C4'-P-C4' energy: -21.419
flat angles P-C4'-P energy: -13.461
tors. eta vs tors. theta energy: -27.186
Dist. restrs. and SS energy: 0.571 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -311.214845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.214845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.328610 (E_RNA)
where:
Base-Base interactions energy: -196.573
where: short stacking energy: -75.167
Base-Backbone interact. energy: -1.135
local terms energy: -113.620124
where:
bonds (distance) C4'-P energy: -29.928
bonds (distance) P-C4' energy: -28.169
flat angles C4'-P-C4' energy: -24.903
flat angles P-C4'-P energy: -12.084
tors. eta vs tors. theta energy: -18.535
Dist. restrs. and SS energy: 0.114 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)